smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COCCNC(=O)Cn1nc(C)n2c(cc3c2cccc3OC)c1=O ZINC000006749755 201694645 /nfs/dbraw/zinc/69/46/45/201694645.db2.gz RAZVFRDXAOKOBS-UHFFFAOYSA-N 0 0 344.371 0.729 10 0 ECAERN CN(C)c1ccc(NC(=O)C(=O)N2CC(NC(=O)C3CCC3)C2)cc1 ZINC000188014729 529783310 /nfs/dbraw/zinc/78/33/10/529783310.db2.gz RETAQRIGZOKXSW-UHFFFAOYSA-N 0 0 344.415 0.818 10 0 ECAERN COc1ccc(OC)c(S(=O)(=O)NC[C@H]2CC(=O)N(C)C2)c1 ZINC000074863307 545686873 /nfs/dbraw/zinc/68/68/73/545686873.db2.gz YWGCPYNCYRNTBY-SNVBAGLBSA-N 0 0 328.390 0.460 10 0 ECAERN C[C@H](CNC(=O)c1ccc(CS(C)(=O)=O)cc1)N1CCOCC1 ZINC000029957736 202192191 /nfs/dbraw/zinc/19/21/91/202192191.db2.gz SFUJLVVVZGRSHR-CYBMUJFWSA-N 0 0 340.445 0.682 10 0 ECAERN COCC(=O)NC1CN(C(=O)c2ccn(-c3ccccc3F)n2)C1 ZINC000186320419 235876323 /nfs/dbraw/zinc/87/63/23/235876323.db2.gz QENQRKUQOXUOFU-UHFFFAOYSA-N 0 0 332.335 0.598 10 0 ECAERN O=S(=O)(CCc1ccc2c(c1)CCO2)N[C@@H]1CCc2ncnn2C1 ZINC000189616637 237077249 /nfs/dbraw/zinc/07/72/49/237077249.db2.gz JXYIEYRIRDLVTF-CQSZACIVSA-N 0 0 348.428 0.690 10 0 ECAERN COc1cc2[nH]c(=O)n(CCN3CCOCC3)c(=O)c2cc1OC ZINC000073658063 202370724 /nfs/dbraw/zinc/37/07/24/202370724.db2.gz BXQQGOZVZYYKBP-UHFFFAOYSA-N 0 0 335.360 0.039 10 0 ECAERN COCCn1ccc(NC(=O)C(=O)N2CCCC[C@H]2c2cn[nH]c2)n1 ZINC000190156271 238256855 /nfs/dbraw/zinc/25/68/55/238256855.db2.gz FXXXGFQEQZORDB-ZDUSSCGKSA-N 0 0 346.391 0.945 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1n[nH]c(=O)c3ccccc31)CC2 ZINC000114866462 201072194 /nfs/dbraw/zinc/07/21/94/201072194.db2.gz ZDHHZYQDXAWFTR-JTQLQIEISA-N 0 0 338.371 0.822 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)N1CCN(CCOC)CC1)CC2 ZINC000114977935 201073173 /nfs/dbraw/zinc/07/31/73/201073173.db2.gz DKSGRYMAPLPCMP-ZDUSSCGKSA-N 0 0 336.440 0.129 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)N(CCCOC)CCOC)CC2 ZINC000114976468 201073319 /nfs/dbraw/zinc/07/33/19/201073319.db2.gz GQMOWSIQKPXXOJ-ZDUSSCGKSA-N 0 0 339.440 0.850 10 0 ECAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)CN(C)S(C)(=O)=O)C2)n1 ZINC000116782215 201076983 /nfs/dbraw/zinc/07/69/83/201076983.db2.gz HYWDKPLCHACJDD-ZDUSSCGKSA-N 0 0 343.453 0.025 10 0 ECAERN NC(=O)[C@@]1(O)CCCN(C(=O)c2ccc(Br)s2)C1 ZINC000285581155 201333026 /nfs/dbraw/zinc/33/30/26/201333026.db2.gz QJBAHIGNLCFMIE-LLVKDONJSA-N 0 0 333.207 0.963 10 0 ECAERN CC(C)C[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](C)[NH3+])C(=O)[O-] ZINC000005716304 201361642 /nfs/dbraw/zinc/36/16/42/201361642.db2.gz ZBLQIYPCUWZSRZ-YUELXQCFSA-N 0 0 349.431 0.677 10 0 ECAERN Cc1c(NC(=O)C(=O)NC[C@@H]2CN(C)CCO2)cnn1C1CCCC1 ZINC000193283919 240090277 /nfs/dbraw/zinc/09/02/77/240090277.db2.gz UFRNPFLHACIEEP-CQSZACIVSA-N 0 0 349.435 0.692 10 0 ECAERN CS(=O)(=O)NCCNc1ccccc1S(=O)(=O)C(F)(F)F ZINC000035238166 201638856 /nfs/dbraw/zinc/63/88/56/201638856.db2.gz BXVCBFGHCRCMSL-UHFFFAOYSA-N 0 0 346.352 0.941 10 0 ECAERN CN(C)S(=O)(=O)N[C@H](c1ccc2c(c1)CCO2)[C@H]1C[C@@H](O)C1 ZINC000244718734 243065473 /nfs/dbraw/zinc/06/54/73/243065473.db2.gz LQALBSCGAIFRHX-VNHYZAJKSA-N 0 0 326.418 0.830 10 0 ECAERN NC(=O)c1cc2c(s1)CCN(C(=O)[C@@H]1NCCc3nc[nH]c31)C2 ZINC000072474760 203230991 /nfs/dbraw/zinc/23/09/91/203230991.db2.gz DREQKXYJFXHCKH-CYBMUJFWSA-N 0 0 331.401 0.342 10 0 ECAERN CCCn1c(=O)[nH]c2c(nsc2C(=O)N2CCSCC2)c1=O ZINC000075531004 203317265 /nfs/dbraw/zinc/31/72/65/203317265.db2.gz GQLSUAJKFKJOEG-UHFFFAOYSA-N 0 0 340.430 0.745 10 0 ECAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)CSc1nnnn1C1CC1 ZINC000081583955 203485593 /nfs/dbraw/zinc/48/55/93/203485593.db2.gz MWXWAMILVOCLQU-SNVBAGLBSA-N 0 0 334.409 0.651 10 0 ECAERN CCN1C[C@]2(CC1=O)CN(C(C)=O)CCN(C(=O)c1ccnnc1)C2 ZINC000096036153 203799499 /nfs/dbraw/zinc/79/94/99/203799499.db2.gz UJYNFTCDMVVHGL-QGZVFWFLSA-N 0 0 345.403 0.020 10 0 ECAERN CS(=O)(=O)N1CC[C@H]2C[C@H](C(=O)Nc3cccnc3)O[C@H]2C1 ZINC000096066315 203819547 /nfs/dbraw/zinc/81/95/47/203819547.db2.gz XMOPNFIASOHBKY-UHTWSYAYSA-N 0 0 325.390 0.459 10 0 ECAERN CCOc1ccccc1C(=O)N1CCO[C@@H](C[N@H+](C)CC(=O)[O-])C1 ZINC000262918879 245250565 /nfs/dbraw/zinc/25/05/65/245250565.db2.gz RNLRCBQVVMLHAP-ZDUSSCGKSA-N 0 0 336.388 0.943 10 0 ECAERN C[C@H](Oc1ccccc1)C(=O)N1CCO[C@@H](C[N@H+](C)CC(=O)[O-])C1 ZINC000263012977 245297320 /nfs/dbraw/zinc/29/73/20/245297320.db2.gz YVDOJPRSEZHAQA-ZFWWWQNUSA-N 0 0 336.388 0.698 10 0 ECAERN COC[C@H](C)C(=O)Nc1ncn(CC(=O)NCc2ccccc2)n1 ZINC000103391285 204076611 /nfs/dbraw/zinc/07/66/11/204076611.db2.gz QIEFOYJPYBTXDQ-LBPRGKRZSA-N 0 0 331.376 0.816 10 0 ECAERN CN1CCO[C@H](CNC(=O)CCCc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000106758861 204209967 /nfs/dbraw/zinc/20/99/67/204209967.db2.gz ABWZZXDBFFFIML-CYBMUJFWSA-N 0 0 332.404 0.626 10 0 ECAERN O=C(Cn1c(=O)[nH]c2ccccc21)N1CCC[C@H](n2cncn2)C1 ZINC000105854585 204170574 /nfs/dbraw/zinc/17/05/74/204170574.db2.gz JKNQCVGKDLTMSE-LBPRGKRZSA-N 0 0 326.360 0.785 10 0 ECAERN O=C(CN1CCC(Cn2cccn2)CC1)NCC(=O)N1CCCC1 ZINC000105886816 204175857 /nfs/dbraw/zinc/17/58/57/204175857.db2.gz PCFIMSAZTDHOID-UHFFFAOYSA-N 0 0 333.436 0.334 10 0 ECAERN CCn1cnnc1C1CCN([C@H](C)C(=O)NC(=O)NC2CC2)CC1 ZINC000105929226 204179600 /nfs/dbraw/zinc/17/96/00/204179600.db2.gz FTUQAZCOHXDYPI-LLVKDONJSA-N 0 0 334.424 0.854 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)CNC(=O)c2cccs2)CC1 ZINC000106403288 204192497 /nfs/dbraw/zinc/19/24/97/204192497.db2.gz SRZNNALDGPEWPH-LBPRGKRZSA-N 0 0 325.434 0.393 10 0 ECAERN O=S(=O)(c1ccc(N[C@@H]2CCc3ncnn3C2)nc1)N1CCCC1 ZINC000108948124 204274155 /nfs/dbraw/zinc/27/41/55/204274155.db2.gz QLYALHFIJFOYIQ-GFCCVEGCSA-N 0 0 348.432 0.885 10 0 ECAERN COC(=O)c1ccc(N2CCO[C@@H](Cn3nc(C)cc3C)C2)nn1 ZINC000108950518 204274247 /nfs/dbraw/zinc/27/42/47/204274247.db2.gz VIIWASLWAJBRHL-CYBMUJFWSA-N 0 0 331.376 0.982 10 0 ECAERN C[C@@H](NC(=O)c1cccs1)C(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111087409 204335178 /nfs/dbraw/zinc/33/51/78/204335178.db2.gz KQRDLZJHRVHTIL-CHWSQXEVSA-N 0 0 348.428 0.991 10 0 ECAERN Cc1cnn([C@@H]2CCCN(C(=O)NCCNS(C)(=O)=O)C2)c1 ZINC000111812870 204374418 /nfs/dbraw/zinc/37/44/18/204374418.db2.gz BYKFCXRBQJNNTF-GFCCVEGCSA-N 0 0 329.426 0.087 10 0 ECAERN Cc1cc(C)n(C[C@H]2CN(C(=O)NCc3ccnn3C)CCO2)n1 ZINC000111823991 204375796 /nfs/dbraw/zinc/37/57/96/204375796.db2.gz NSSOPRRARUOALZ-OAHLLOKOSA-N 0 0 332.408 0.844 10 0 ECAERN Cc1cnn(C[C@H]2CN(S(=O)(=O)c3c(C)noc3C)CCO2)c1 ZINC000112094203 204383042 /nfs/dbraw/zinc/38/30/42/204383042.db2.gz WOOCATFZYMVXRL-ZDUSSCGKSA-N 0 0 340.405 0.886 10 0 ECAERN CCC[C@@H](NC(=O)Cc1ccccc1)C(=O)NC[C@H]1CN(C)CCO1 ZINC000112195875 204385147 /nfs/dbraw/zinc/38/51/47/204385147.db2.gz MMBHDPGSPFLHCB-DLBZAZTESA-N 0 0 347.459 0.961 10 0 ECAERN CCS(=O)(=O)CCNC(=O)N1CCC(Cn2cccn2)CC1 ZINC000125876712 205030297 /nfs/dbraw/zinc/03/02/97/205030297.db2.gz WQIZINQIIBHBRW-UHFFFAOYSA-N 0 0 328.438 0.739 10 0 ECAERN O=C(Nc1cccc(-n2ccnn2)c1)C(=O)N[C@H]1CCCC[C@@H]1CO ZINC000127879908 205121556 /nfs/dbraw/zinc/12/15/56/205121556.db2.gz SXJQSUDTINMSCC-DOMZBBRYSA-N 0 0 343.387 0.873 10 0 ECAERN O=C(Cc1ccccc1OC(F)F)NC[C@H](O)CN1CCOCC1 ZINC000128149201 205134358 /nfs/dbraw/zinc/13/43/58/205134358.db2.gz OWJUAJPRCIDENH-ZDUSSCGKSA-N 0 0 344.358 0.640 10 0 ECAERN O=C(NC[C@H](O)CN1CCOCC1)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000128165358 205134996 /nfs/dbraw/zinc/13/49/96/205134996.db2.gz CRPIOSDJUMWUPX-YUTCNCBUSA-N 0 0 340.370 0.878 10 0 ECAERN CC(=O)Nc1cc(S(=O)(=O)N[C@H]2CCc3ncnn3C2)ccc1C ZINC000128308310 205143570 /nfs/dbraw/zinc/14/35/70/205143570.db2.gz YJSFIGNXGRYEPE-LBPRGKRZSA-N 0 0 349.416 0.838 10 0 ECAERN O=C(Cc1ccccc1)NCC(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000111082098 220097735 /nfs/dbraw/zinc/09/77/35/220097735.db2.gz VWFIGYIJRJUGAP-INIZCTEOSA-N 0 0 342.399 0.469 10 0 ECAERN O=C(NC[C@H](O)CN1CCOCC1)c1cccnc1Br ZINC000132894056 205346862 /nfs/dbraw/zinc/34/68/62/205346862.db2.gz UJBQRWGAEYILQG-JTQLQIEISA-N 0 0 344.209 0.267 10 0 ECAERN C[C@@H]1C[C@@H]1NC(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1 ZINC000154820149 205957046 /nfs/dbraw/zinc/95/70/46/205957046.db2.gz JSNJHDXLRNIXGI-MFKMUULPSA-N 0 0 341.437 0.281 10 0 ECAERN C[C@@H]1CN(C(=O)c2cn(Cc3cccc(F)c3)nn2)C[C@@H](C(N)=O)O1 ZINC000157375234 206131670 /nfs/dbraw/zinc/13/16/70/206131670.db2.gz PYKNEMWRANOLSU-YGRLFVJLSA-N 0 0 347.350 0.180 10 0 ECAERN O=C([O-])[C@H]1CCC[N@@H+]1C1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000038042564 304186874 /nfs/dbraw/zinc/18/68/74/304186874.db2.gz SNLQCCGLFGCPNR-SECBINFHSA-N 0 0 330.328 0.849 10 0 ECAERN Cc1cc(=O)oc2cc(OCCN3CCOC[C@@H]3C(N)=O)ccc12 ZINC000092228538 218126737 /nfs/dbraw/zinc/12/67/37/218126737.db2.gz YLJWJNNBACTCQP-CQSZACIVSA-N 0 0 332.356 0.666 10 0 ECAERN NC(=O)[C@@H]1COCCN1CCC(=O)Nc1ccc(Cl)cc1F ZINC000092229098 218127772 /nfs/dbraw/zinc/12/77/72/218127772.db2.gz YMYULGHSGVCPPL-LBPRGKRZSA-N 0 0 329.759 0.994 10 0 ECAERN C[C@@H](O)CN1CCN(C(=O)C2CCN(c3cnccn3)CC2)C[C@H]1C ZINC000174289676 207008244 /nfs/dbraw/zinc/00/82/44/207008244.db2.gz PNNVZCNRWSPUKF-HUUCEWRRSA-N 0 0 347.463 0.607 10 0 ECAERN CC(C)(C)OC(=O)N1CC(CC(=O)N[C@@H]2CCc3ncnn3C2)C1 ZINC000174815614 207060632 /nfs/dbraw/zinc/06/06/32/207060632.db2.gz QDBZELKKXZYXMO-GFCCVEGCSA-N 0 0 335.408 0.966 10 0 ECAERN CCOc1ccnc(N2CCN(C(=O)c3ccc(C=O)[nH]3)CC2)n1 ZINC000176272104 207209952 /nfs/dbraw/zinc/20/99/52/207209952.db2.gz SMXFUNVXZIEVJN-UHFFFAOYSA-N 0 0 329.360 0.978 10 0 ECAERN Cc1cc(C)c(OCC(=O)NC[C@H](O)CN2CCOCC2)c(C)c1 ZINC000176439032 207227498 /nfs/dbraw/zinc/22/74/98/207227498.db2.gz HWWNJPMTIREOKR-INIZCTEOSA-N 0 0 336.432 0.800 10 0 ECAERN C[C@@H](NC(=O)CNS(=O)(=O)c1cn(C)cn1)c1cccs1 ZINC000176438393 207228516 /nfs/dbraw/zinc/22/85/16/207228516.db2.gz KHSRWKQPSHOHHH-SECBINFHSA-N 0 0 328.419 0.637 10 0 ECAERN CN(C[C@H](c1cccs1)N1CCOCC1)C(=O)CCNC(N)=O ZINC000176528874 207235929 /nfs/dbraw/zinc/23/59/29/207235929.db2.gz MABQYTNADDYACH-GFCCVEGCSA-N 0 0 340.449 0.638 10 0 ECAERN CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1cnn(CCOC)c1 ZINC000176887355 207271396 /nfs/dbraw/zinc/27/13/96/207271396.db2.gz AFFGMRBQXWMORH-CQSZACIVSA-N 0 0 337.424 0.411 10 0 ECAERN Cc1nccn1C[C@@H]1CCCN1C(=O)CN1CCCS1(=O)=O ZINC000177153130 207299844 /nfs/dbraw/zinc/29/98/44/207299844.db2.gz HFBUDHAQXLYGKO-ZDUSSCGKSA-N 0 0 326.422 0.218 10 0 ECAERN Cc1oc(-c2cnn(C)c2)nc1C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000177476791 207342279 /nfs/dbraw/zinc/34/22/79/207342279.db2.gz HIWYFIDYLORKIX-LLVKDONJSA-N 0 0 327.348 0.720 10 0 ECAERN Cc1cc(C)c(C)c(S(=O)(=O)N2CCOC[C@H]2C(N)=O)c1C ZINC000179687884 207671445 /nfs/dbraw/zinc/67/14/45/207671445.db2.gz AYAFRTMFMYNSEC-ZDUSSCGKSA-N 0 0 326.418 0.795 10 0 ECAERN CNC(=O)[C@H](NC(=O)C(=O)Nc1ccc(-n2cccn2)cc1)C(C)C ZINC000179077237 207693749 /nfs/dbraw/zinc/69/37/49/207693749.db2.gz HSQGKFLDZRLHLX-CQSZACIVSA-N 0 0 343.387 0.698 10 0 ECAERN Cc1cnn(CCNC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)c1 ZINC000117812112 221091495 /nfs/dbraw/zinc/09/14/95/221091495.db2.gz FIHAXGTWPYTUBP-UHFFFAOYSA-N 0 0 327.344 0.011 10 0 ECAERN CS(=O)(=O)N1CC[C@H]2OCCN(C(=O)c3ccsc3)[C@@H]2C1 ZINC000247544247 257680126 /nfs/dbraw/zinc/68/01/26/257680126.db2.gz TZPJZGIYNFSEPS-VXGBXAGGSA-N 0 0 330.431 0.623 10 0 ECAERN CS(=O)(=O)N1Cc2ccnn2[C@H](CCNC(=O)c2cccnc2)C1 ZINC000247564040 257680487 /nfs/dbraw/zinc/68/04/87/257680487.db2.gz ZTZBNEKYTYKTHV-CYBMUJFWSA-N 0 0 349.416 0.415 10 0 ECAERN CC(C)OC[C@@H](O)CN(Cc1cn2c(n1)CCCC2)S(C)(=O)=O ZINC000328640583 258024284 /nfs/dbraw/zinc/02/42/84/258024284.db2.gz XMZRJLOXFPEXGA-AWEZNQCLSA-N 0 0 345.465 0.767 10 0 ECAERN Nc1c(Nc2cccnc2Cl)ncnc1N1CCN(CCO)CC1 ZINC000040734658 132406681 /nfs/dbraw/zinc/40/66/81/132406681.db2.gz PCOCVHBXPBOKKE-UHFFFAOYSA-N 0 0 349.826 0.965 10 0 ECAERN CCOC(=O)c1cc(N)ccc1N1CCN(S(C)(=O)=O)CC1 ZINC000226280424 135593395 /nfs/dbraw/zinc/59/33/95/135593395.db2.gz MXSTUASHBVOFIV-UHFFFAOYSA-N 0 0 327.406 0.527 10 0 ECAERN CC(=O)N[C@@H]1CCCN(C(=O)c2csc(S(C)(=O)=O)c2)C1 ZINC000159300536 296711155 /nfs/dbraw/zinc/71/11/55/296711155.db2.gz FZKRDRWXXWEZTC-LLVKDONJSA-N 0 0 330.431 0.892 10 0 ECAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)CCCS(C)(=O)=O)CC2 ZINC000150711818 164722227 /nfs/dbraw/zinc/72/22/27/164722227.db2.gz FRVMWZXEQSRLPD-NSHDSACASA-N 0 0 328.438 0.657 10 0 ECAERN Cc1nnc([C@H]2CN(C(=O)CNC(=O)c3cccs3)CCO2)[nH]1 ZINC000173606968 164858874 /nfs/dbraw/zinc/85/88/74/164858874.db2.gz LBZMIQPDGZAANW-SNVBAGLBSA-N 0 0 335.389 0.505 10 0 ECAERN CCN(CC)S(=O)(=O)CC(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000174913196 164876125 /nfs/dbraw/zinc/87/61/25/164876125.db2.gz LJRWOLKHPMBWSX-GFCCVEGCSA-N 0 0 328.438 0.408 10 0 ECAERN C[C@H](NC(=O)N1CC(NC(=O)C2CC2)C1)C(=O)N1CCCC[C@@H]1C ZINC000187165093 164987441 /nfs/dbraw/zinc/98/74/41/164987441.db2.gz KMITUTXOCAGFER-RYUDHWBXSA-N 0 0 336.436 0.696 10 0 ECAERN O=C(NC1CN(C(=O)[C@H]2CC[C@H](C(F)(F)F)NC2=O)C1)C1CCC1 ZINC000188480938 164997516 /nfs/dbraw/zinc/99/75/16/164997516.db2.gz PUDHBRZUPZQJPD-WDEREUQCSA-N 0 0 347.337 0.571 10 0 ECAERN C[C@@H]1C(=O)NCCCN1C(=O)Cc1csc(N2CCCC2=O)n1 ZINC000188955979 165004415 /nfs/dbraw/zinc/00/44/15/165004415.db2.gz CIXDIHXYAVTQEU-SNVBAGLBSA-N 0 0 336.417 0.549 10 0 ECAERN CC(C)NC(=O)N1CCC[C@H]1C(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000189229226 165006892 /nfs/dbraw/zinc/00/68/92/165006892.db2.gz UQUCKAAVCTUCPX-AWEZNQCLSA-N 0 0 336.436 0.696 10 0 ECAERN O=C(C(=O)N1CC(NC(=O)C2CC2)C1)c1cnn(-c2ccccc2)c1 ZINC000189410530 165010217 /nfs/dbraw/zinc/01/02/17/165010217.db2.gz VEKLEXFOZCQEIK-UHFFFAOYSA-N 0 0 338.367 0.792 10 0 ECAERN Cc1cc(C)c(N2CC[C@H](NC(=O)[C@@H]3CNC(=O)C3)C2=O)c(C)c1 ZINC000190559733 165022629 /nfs/dbraw/zinc/02/26/29/165022629.db2.gz HEQAGENOYLKQLG-KBPBESRZSA-N 0 0 329.400 0.969 10 0 ECAERN C[C@@H]1C(=O)NCCCN1C(=O)NCCc1cccc(C(=O)N(C)C)c1 ZINC000191425838 165032820 /nfs/dbraw/zinc/03/28/20/165032820.db2.gz UXHCALHKUNEARD-CYBMUJFWSA-N 0 0 346.431 0.851 10 0 ECAERN C[C@H]1C(=O)NCCCN1C(=O)NCCc1cccc(C(=O)N(C)C)c1 ZINC000191425853 165033043 /nfs/dbraw/zinc/03/30/43/165033043.db2.gz UXHCALHKUNEARD-ZDUSSCGKSA-N 0 0 346.431 0.851 10 0 ECAERN CC(C)c1csc(NC(=O)C(=O)NC[C@H]2CN(C)CCO2)n1 ZINC000192969760 165050865 /nfs/dbraw/zinc/05/08/65/165050865.db2.gz BGNZJVWKEXWOQO-JTQLQIEISA-N 0 0 326.422 0.652 10 0 ECAERN Cc1cccc(C(=O)N2CCCN(C(=O)[C@H]3CNC(=O)C3)CC2)c1 ZINC000194865588 165070985 /nfs/dbraw/zinc/07/09/85/165070985.db2.gz PTTXNSCJPLSGIR-OAHLLOKOSA-N 0 0 329.400 0.806 10 0 ECAERN CC(C)n1nnnc1CS(=O)(=O)CC(=O)N[C@H]1CCCC[C@H]1C ZINC000195427758 165081568 /nfs/dbraw/zinc/08/15/68/165081568.db2.gz OZEGKBHSUPXUFZ-NEPJUHHUSA-N 0 0 343.453 0.864 10 0 ECAERN CC(C)n1nnnc1CS(=O)(=O)CC(=O)N[C@@H]1CCCC[C@@H]1C ZINC000195427774 165081922 /nfs/dbraw/zinc/08/19/22/165081922.db2.gz OZEGKBHSUPXUFZ-NWDGAFQWSA-N 0 0 343.453 0.864 10 0 ECAERN C[C@@H]1CN(CC(=O)Nc2ccccc2C(N)=O)C[C@H]1N1CCOCC1 ZINC000246555150 165138596 /nfs/dbraw/zinc/13/85/96/165138596.db2.gz UJHHLJBCIMYJJP-CZUORRHYSA-N 0 0 346.431 0.377 10 0 ECAERN CCN1CCN(C(=O)[C@H](C)N2CCO[C@@H](c3nnc(C)[nH]3)C2)CC1 ZINC000246846063 165145222 /nfs/dbraw/zinc/14/52/22/165145222.db2.gz DSSJJZBABVUFHM-GXTWGEPZSA-N 0 0 336.440 0.039 10 0 ECAERN COCCN1CCN(C(=O)N[C@H](C)CN2CCOCC2)C[C@@H]1C ZINC000246926525 165147494 /nfs/dbraw/zinc/14/74/94/165147494.db2.gz BNYQJXAAQCEOLL-CABCVRRESA-N 0 0 328.457 0.069 10 0 ECAERN CCOCCN1CCN([C@H](C)C(=O)NC(=O)NCC(C)C)C[C@@H]1C ZINC000247075402 165152891 /nfs/dbraw/zinc/15/28/91/165152891.db2.gz GRIUESZMOSPIDY-LSDHHAIUSA-N 0 0 342.484 0.899 10 0 ECAERN CC1(C)COCCN1CCNc1cc(N2CCC[C@H]2CO)ncn1 ZINC000247250892 165157781 /nfs/dbraw/zinc/15/77/81/165157781.db2.gz TXWUQOJUGOPIKP-AWEZNQCLSA-N 0 0 335.452 0.960 10 0 ECAERN CC[C@@H]1CN(S(=O)(=O)c2ccc(N)cc2)CCN1C[C@H](C)O ZINC000248634360 165182254 /nfs/dbraw/zinc/18/22/54/165182254.db2.gz PWJZWLUIQYZTFN-GXTWGEPZSA-N 0 0 327.450 0.735 10 0 ECAERN C[N@@H+](CC(=O)[O-])C[C@H]1CN(c2ncc(Br)cn2)CCO1 ZINC000262078597 165285560 /nfs/dbraw/zinc/28/55/60/165285560.db2.gz DRHBOBSDPBDGPB-JTQLQIEISA-N 0 0 345.197 0.461 10 0 ECAERN CCCS(=O)(=O)[N-]c1ccccc1C(=O)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262112882 165293018 /nfs/dbraw/zinc/29/30/18/165293018.db2.gz FMALPXNLGSGRAB-FZMZJTMJSA-N 0 0 341.433 0.148 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)CCNC(=O)c2ccco2)C1 ZINC000262686367 165375178 /nfs/dbraw/zinc/37/51/78/165375178.db2.gz AQYWLFSFGALMOH-UHFFFAOYSA-N 0 0 337.376 0.453 10 0 ECAERN COc1cncc(N2CCN(c3nn4c(nccc4=O)s3)CC2)n1 ZINC000301304914 296885054 /nfs/dbraw/zinc/88/50/54/296885054.db2.gz TWUJTIKXZRJUAJ-UHFFFAOYSA-N 0 0 345.388 0.276 10 0 ECAERN COCc1cc(N2CCN([C@H](C)C(N)=O)CC2)nc(C(C)(C)C)n1 ZINC000301783049 296891410 /nfs/dbraw/zinc/89/14/10/296891410.db2.gz JTNLEOBLDHDLPN-GFCCVEGCSA-N 0 0 335.452 0.916 10 0 ECAERN CN(C)c1noc([C@@H]2CCCN(c3nn4c(nccc4=O)s3)C2)n1 ZINC000302429281 296898004 /nfs/dbraw/zinc/89/80/04/296898004.db2.gz KVUKCZVQYYRRPG-SECBINFHSA-N 0 0 347.404 0.984 10 0 ECAERN Cc1cnn(C[C@@H]2CN(C(=O)C(=O)Nc3cnn(C)c3C)CCO2)c1 ZINC000176625328 263152843 /nfs/dbraw/zinc/15/28/43/263152843.db2.gz AYVQJRCXYXRLHF-ZDUSSCGKSA-N 0 0 346.391 0.100 10 0 ECAERN O=C(CN1CCC(NC(=O)[C@H]2CNC(=O)C2)CC1)Nc1ccccc1 ZINC000194787652 263169121 /nfs/dbraw/zinc/16/91/21/263169121.db2.gz WVWKBRSFLFUBMY-CYBMUJFWSA-N 0 0 344.415 0.342 10 0 ECAERN COc1ncccc1C(=O)N1CC[C@@](O)(c2cn(C(C)C)nn2)C1 ZINC000284571455 264229084 /nfs/dbraw/zinc/22/90/84/264229084.db2.gz JHGWJDGFXKZONZ-INIZCTEOSA-N 0 0 331.376 0.996 10 0 ECAERN COc1cccc(CN(C)C(=O)CN2CC[C@@](O)(c3cn[nH]n3)C2)c1 ZINC000284925262 264257551 /nfs/dbraw/zinc/25/75/51/264257551.db2.gz VSNOMKPCUNDGMF-KRWDZBQOSA-N 0 0 345.403 0.365 10 0 ECAERN COC[C@H]1CN(C(=O)c2cn(Cc3ccccn3)nn2)CC(C)(C)O1 ZINC000285421448 264311579 /nfs/dbraw/zinc/31/15/79/264311579.db2.gz HNQFNOYXXKLOJQ-CQSZACIVSA-N 0 0 345.403 0.987 10 0 ECAERN COC[C@@H]1CN(C(=O)c2cn(Cc3ccccn3)nn2)CC(C)(C)O1 ZINC000285421443 264311588 /nfs/dbraw/zinc/31/15/88/264311588.db2.gz HNQFNOYXXKLOJQ-AWEZNQCLSA-N 0 0 345.403 0.987 10 0 ECAERN C[C@@H](O)CN1CCN(C(=O)C(=O)Nc2cc(F)ccc2F)C[C@H]1C ZINC000177607004 274267685 /nfs/dbraw/zinc/26/76/85/274267685.db2.gz BBBRRVJBKIUBQP-GHMZBOCLSA-N 0 0 341.358 0.817 10 0 ECAERN CC(=O)N[C@@H](CC(C)C)C(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000183147875 278138459 /nfs/dbraw/zinc/13/84/59/278138459.db2.gz CPUKQSFBMYSGES-VNQPRFMTSA-N 0 0 325.453 0.716 10 0 ECAERN Cn1cnn(CC(=O)N2C[C@@H](c3ccccc3)OCC2(C)C)c1=O ZINC000179475757 279392556 /nfs/dbraw/zinc/39/25/56/279392556.db2.gz QWLJZSPOQSEASE-AWEZNQCLSA-N 0 0 330.388 0.961 10 0 ECAERN O=C1N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]1Cc1ccc(O)cc1 ZINC000001650716 280296826 /nfs/dbraw/zinc/29/68/26/280296826.db2.gz NGPCLOGFGKJCBP-HOTGVXAUSA-N 0 0 326.352 0.866 10 0 biogenic,in-vivo ECAERN Cc1cc(=O)n(C)cc1NC(=O)C(=O)N[C@H]1COc2ccccc21 ZINC000183024163 280303922 /nfs/dbraw/zinc/30/39/22/280303922.db2.gz MKGLJLGIKUJQFF-ZDUSSCGKSA-N 0 0 327.340 0.882 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)N1CCNC(=O)[C@H]1C(C)C)CC2 ZINC000114976618 281528155 /nfs/dbraw/zinc/52/81/55/281528155.db2.gz SEGKJNGKSYFBHD-BXUZGUMPSA-N 0 0 334.424 0.321 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)CC1(CS(C)(=O)=O)CC1)CC2 ZINC000176842707 288636567 /nfs/dbraw/zinc/63/65/67/288636567.db2.gz OWGMDEZKMPUCJE-LLVKDONJSA-N 0 0 340.449 0.486 10 0 ECAERN C[C@@H]1CN([C@@H](CNC(=O)C(=O)NC2CC2)c2cccs2)CCO1 ZINC000177976602 297069196 /nfs/dbraw/zinc/06/91/96/297069196.db2.gz LCPFBHVLKOTWIL-YPMHNXCESA-N 0 0 337.445 0.905 10 0 ECAERN Cc1nc2c(nccc2C(=O)N[C@H](C(=O)N2CCOCC2)C(C)C)[nH]1 ZINC000333338034 297126170 /nfs/dbraw/zinc/12/61/70/297126170.db2.gz ZOUVGMNLAFDFBG-ZDUSSCGKSA-N 0 0 345.403 0.880 10 0 ECAERN C[C@H]1C[C@H](O)CN(C(=O)N[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)C1 ZINC000334019502 297158897 /nfs/dbraw/zinc/15/88/97/297158897.db2.gz BQLDMKBJCILHQA-XQQFMLRXSA-N 0 0 345.465 0.355 10 0 ECAERN CC(C)[C@H]1N(C(=O)N[C@H]2COC[C@H]2n2ccnn2)C[C@@]12CCCO2 ZINC000334101671 297164022 /nfs/dbraw/zinc/16/40/22/297164022.db2.gz WOLIIMHSWGHRGI-NHIYQJMISA-N 0 0 335.408 0.817 10 0 ECAERN COC[C@@H]1C[C@@H](OC)CN1C(=O)Cc1ccc(-n2cnnn2)cc1 ZINC000344810406 298069745 /nfs/dbraw/zinc/06/97/45/298069745.db2.gz MTCTWSGRYCITDG-LSDHHAIUSA-N 0 0 331.376 0.467 10 0 ECAERN CC(=O)N1CCC[C@@](O)(C(=O)N2CCN(Cc3ccccc3)CC2)C1 ZINC000345574840 298170175 /nfs/dbraw/zinc/17/01/75/298170175.db2.gz XMUHQXIOCCOJDR-IBGZPJMESA-N 0 0 345.443 0.704 10 0 ECAERN COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)[C@H]1CCS(=O)(=O)C1 ZINC000361671175 300114127 /nfs/dbraw/zinc/11/41/27/300114127.db2.gz IJKHRQWHVHTBLH-RVMXOQNASA-N 0 0 329.418 0.754 10 0 ECAERN CCN(C(=O)CN1CCO[C@@H]2CCCC[C@H]21)[C@H]1CCS(=O)(=O)C1 ZINC000361935001 300143195 /nfs/dbraw/zinc/14/31/95/300143195.db2.gz APLCSOAJOJBYSE-RRFJBIMHSA-N 0 0 344.477 0.665 10 0 ECAERN COCCCN(CCO)C(=O)[C@H](C)N1C(=O)c2ccccc2C1=O ZINC000071488646 436007089 /nfs/dbraw/zinc/00/70/89/436007089.db2.gz OAIOMWDWDWJUEV-LBPRGKRZSA-N 0 0 334.372 0.529 10 0 ECAERN NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cc2oc(=O)[nH]c2cc1Cl ZINC000072307538 436042980 /nfs/dbraw/zinc/04/29/80/436042980.db2.gz PRXSRVOFRGYLJN-QMMMGPOBSA-N 0 0 345.764 0.413 10 0 ECAERN COCC(=O)N1Cc2nc[nH]c2C[C@H]1C(=O)N(C)Cc1ccccc1 ZINC000015676108 436084486 /nfs/dbraw/zinc/08/44/86/436084486.db2.gz UZZUOIUSSAPPLI-INIZCTEOSA-N 0 0 342.399 0.968 10 0 ECAERN C[C@@H]1CN(C(=O)CN2CCN(C)[C@@H](c3nccn3C)C2)C[C@@H](C)O1 ZINC000375902622 301219221 /nfs/dbraw/zinc/21/92/21/301219221.db2.gz CFUIEBWXGNCLRK-RBSFLKMASA-N 0 0 335.452 0.344 10 0 ECAERN O=C(NC[C@@H]1CCCC[C@H]1O)C(=O)Nc1ccc(-n2ccnc2)nc1 ZINC000077938885 436257335 /nfs/dbraw/zinc/25/73/35/436257335.db2.gz SOBLCNOPELZQCL-GXTWGEPZSA-N 0 0 343.387 0.873 10 0 ECAERN CNC(=O)c1ccc(S(=O)(=O)N2CCN3CCCC[C@@H]3C2)cc1 ZINC000045816049 436377114 /nfs/dbraw/zinc/37/71/14/436377114.db2.gz BOSLXVUZVBNOCY-CQSZACIVSA-N 0 0 337.445 0.905 10 0 ECAERN Cc1cnn(CC2CCN(C(=O)C3CCN(CC(N)=O)CC3)CC2)c1 ZINC000091644406 436457582 /nfs/dbraw/zinc/45/75/82/436457582.db2.gz HQTCKEIGRBRKNS-UHFFFAOYSA-N 0 0 347.463 0.627 10 0 ECAERN Cc1cn2c(ncc(C(=O)NC[C@@H](C)N3CCOCC3)c2=O)s1 ZINC000092861435 436479014 /nfs/dbraw/zinc/47/90/14/436479014.db2.gz GDHRZSPWSQOPSS-SNVBAGLBSA-N 0 0 336.417 0.515 10 0 ECAERN O=C1N[C@]2(C(=O)Nc3ccc(Br)cc32)N2CCOC[C@H]12 ZINC000093884417 436490358 /nfs/dbraw/zinc/49/03/58/436490358.db2.gz OIBQUHGMKFHXII-MFKMUULPSA-N 0 0 338.161 0.385 10 0 ECAERN C[C@@H](CNC(=O)C1CCN(Cc2nccn2C)CC1)N1CCOCC1 ZINC000052610227 436511361 /nfs/dbraw/zinc/51/13/61/436511361.db2.gz LRLPEJQOLYPIDK-HNNXBMFYSA-N 0 0 349.479 0.469 10 0 ECAERN CCCC(=O)N[C@@H]1CCCN(C(=O)NC[C@@H]2CN(C)CCO2)C1 ZINC000105279380 436571021 /nfs/dbraw/zinc/57/10/21/436571021.db2.gz IKXMRRRRBQPZBJ-ZIAGYGMSSA-N 0 0 326.441 0.407 10 0 ECAERN CC(C)(C)OC[C@@H](O)CN1CCN(c2ccc3nncn3n2)CC1 ZINC000105911303 436585749 /nfs/dbraw/zinc/58/57/49/436585749.db2.gz GPHYUFQEJYUHQO-ZDUSSCGKSA-N 0 0 334.424 0.422 10 0 ECAERN CCOc1cc(C)nc(N2CCN(CCS(C)(=O)=O)CC2)n1 ZINC000105903473 436586329 /nfs/dbraw/zinc/58/63/29/436586329.db2.gz RQDJYCKBMLAUJA-UHFFFAOYSA-N 0 0 328.438 0.350 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)CNC(=O)Cc2ccccc2)CC1 ZINC000106393582 436593664 /nfs/dbraw/zinc/59/36/64/436593664.db2.gz KUEZNZRKRPEEGH-MRXNPFEDSA-N 0 0 333.432 0.260 10 0 ECAERN CC(C)NC(=O)CN1CCN(C[C@H](O)COCc2ccccc2)CC1 ZINC000057945475 436618570 /nfs/dbraw/zinc/61/85/70/436618570.db2.gz ZKHDDQRZPTYFEE-SFHVURJKSA-N 0 0 349.475 0.706 10 0 ECAERN C[C@H](NC(=O)N[C@H]1CCc2ncnn2C1)C(=O)Nc1ccccc1 ZINC000112750664 436633811 /nfs/dbraw/zinc/63/38/11/436633811.db2.gz BKNCWBLHSVPPBS-AAEUAGOBSA-N 0 0 328.376 0.919 10 0 ECAERN O=C(NC1CCN(c2ccccn2)CC1)N[C@H]1CCc2ncnn2C1 ZINC000112743861 436634092 /nfs/dbraw/zinc/63/40/92/436634092.db2.gz LLEYVUOMLRWRSR-AWEZNQCLSA-N 0 0 341.419 0.956 10 0 ECAERN O=C(CCn1cnc2ccccc2c1=O)N[C@@H]1CCc2ncnn2C1 ZINC000112653577 436634144 /nfs/dbraw/zinc/63/41/44/436634144.db2.gz XFOHXOZQQUGUFC-GFCCVEGCSA-N 0 0 338.371 0.509 10 0 ECAERN CC(C)(C)n1cc(CN2CCN(C(=O)CCn3cncn3)CC2)cn1 ZINC000113921766 436638425 /nfs/dbraw/zinc/63/84/25/436638425.db2.gz MXDUKWCAOWUFSE-UHFFFAOYSA-N 0 0 345.451 0.964 10 0 ECAERN Cc1nc2c(cnn2C)c(N2CCN(C(=O)C(F)(F)F)CC2)n1 ZINC000114398405 436640833 /nfs/dbraw/zinc/64/08/33/436640833.db2.gz YCFSNDQUUCWTJZ-UHFFFAOYSA-N 0 0 328.298 0.883 10 0 ECAERN O=c1[nH]c2cncnc2n1[C@H]1CCN(S(=O)(=O)c2cccnc2)C1 ZINC000065256713 436653719 /nfs/dbraw/zinc/65/37/19/436653719.db2.gz ARDQOHDKWPAGHM-JTQLQIEISA-N 0 0 346.372 0.150 10 0 ECAERN Cn1cc([C@H]2CCN(C(=O)Cn3nc4ccccn4c3=O)C2)cn1 ZINC000116115574 436649481 /nfs/dbraw/zinc/64/94/81/436649481.db2.gz BNUGKWJLVWHYLT-LBPRGKRZSA-N 0 0 326.360 0.246 10 0 ECAERN COCCN1CCN(C(=O)CNC(=O)c2cccc(F)c2)C[C@H]1C ZINC000117425302 436657544 /nfs/dbraw/zinc/65/75/44/436657544.db2.gz OGZHLUOICPPGBJ-CYBMUJFWSA-N 0 0 337.395 0.735 10 0 ECAERN CCc1nnc([C@H]2CN(C(=O)NC[C@H](C)Cn3cccn3)CCO2)[nH]1 ZINC000137224403 436657771 /nfs/dbraw/zinc/65/77/71/436657771.db2.gz VPUIRHFJHZKXAE-QWHCGFSZSA-N 0 0 347.423 0.983 10 0 ECAERN CCO[C@@H]1C[C@H](N(C)C(=O)Cn2ccc(=O)n(C)c2=O)C12CCCC2 ZINC000150792164 436691209 /nfs/dbraw/zinc/69/12/09/436691209.db2.gz CTHWHSFTBUWBEK-UONOGXRCSA-N 0 0 349.431 0.743 10 0 ECAERN CCCN(C)S(=O)(=O)N1CCN([C@H](C)c2nc(CC)no2)CC1 ZINC000120545660 436691405 /nfs/dbraw/zinc/69/14/05/436691405.db2.gz ALUONOLMEOVNNQ-GFCCVEGCSA-N 0 0 345.469 0.897 10 0 ECAERN CCc1nnc(Cn2nnc(-c3ccc(C(=O)OC)cc3)n2)n1C ZINC000151178281 436698524 /nfs/dbraw/zinc/69/85/24/436698524.db2.gz LHKMXCLCIVHJIR-UHFFFAOYSA-N 0 0 327.348 0.866 10 0 ECAERN COCc1nc2n(n1)C[C@@H](NC(=O)NCCn1cc(C)cn1)CC2 ZINC000151593193 436706404 /nfs/dbraw/zinc/70/64/04/436706404.db2.gz DYJMZGNLAHFLII-LBPRGKRZSA-N 0 0 333.396 0.244 10 0 ECAERN Cc1cnn(C[C@H]2CN(C(=O)CCCCc3c[nH]nn3)CCO2)c1 ZINC000139328476 436663956 /nfs/dbraw/zinc/66/39/56/436663956.db2.gz ITAIHJBTMQOATB-OAHLLOKOSA-N 0 0 332.408 0.950 10 0 ECAERN CCOC(C[C@H](CO)Cn1cnc2c1nc(N)[nH]c2=O)OCC ZINC000142576211 436673953 /nfs/dbraw/zinc/67/39/53/436673953.db2.gz IDFDGVJRIDONQK-VIFPVBQESA-N 0 0 325.369 0.100 10 0 ECAERN CC[C@H](C)NC(=O)CN1CCN(Cc2nnc(C3CC3)n2C)CC1 ZINC000195058863 436677216 /nfs/dbraw/zinc/67/72/16/436677216.db2.gz DWVWHGRAAKRTJZ-ZDUSSCGKSA-N 0 0 334.468 0.725 10 0 ECAERN Cc1cc(C)n2nc(S(=O)(=O)Cc3nnnn3C(C)C)nc2n1 ZINC000195087247 436678420 /nfs/dbraw/zinc/67/84/20/436678420.db2.gz FLEQTFUCJNCFBY-UHFFFAOYSA-N 0 0 336.381 0.282 10 0 ECAERN O=C1C[C@H](N2CCN(c3nccs3)CC2)C(=O)N1CC(F)(F)F ZINC000195234266 436683505 /nfs/dbraw/zinc/68/35/05/436683505.db2.gz QJVCWXQRTWZMEN-VIFPVBQESA-N 0 0 348.350 0.955 10 0 ECAERN COc1ccc([C@@H](CO)N(C)C(=O)N[C@@H]2CCc3ncnn3C2)cc1 ZINC000121787861 436723995 /nfs/dbraw/zinc/72/39/95/436723995.db2.gz YUJIEWLEEJYMBY-UKRRQHHQSA-N 0 0 345.403 0.977 10 0 ECAERN O=C1CN(C[C@]2(O)CCCN(Cc3ccccc3F)C2=O)CCN1 ZINC000067909061 436729568 /nfs/dbraw/zinc/72/95/68/436729568.db2.gz QJJFLHNGEQYKBX-QGZVFWFLSA-N 0 0 335.379 0.111 10 0 ECAERN CN(C(=O)[C@@H]1CCN(C)C(=O)C1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000122143623 436732197 /nfs/dbraw/zinc/73/21/97/436732197.db2.gz WXJIDFYTMRXKJV-ZIAGYGMSSA-N 0 0 331.420 0.772 10 0 ECAERN O=C(NCC1CCN(C(=O)c2ccccc2)CC1)[C@@H]1CNC(=O)C1 ZINC000152745457 436739953 /nfs/dbraw/zinc/73/99/53/436739953.db2.gz JUJDJXNFHFPGKY-HNNXBMFYSA-N 0 0 329.400 0.791 10 0 ECAERN O=C(CNC(=O)c1cccnc1)N1CCO[C@H](c2nccs2)C1 ZINC000123579781 436742702 /nfs/dbraw/zinc/74/27/02/436742702.db2.gz BGMKUXOONUGOKC-LBPRGKRZSA-N 0 0 332.385 0.868 10 0 ECAERN CN(C)C(=O)CN(C)C(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 ZINC000124308530 436747526 /nfs/dbraw/zinc/74/75/26/436747526.db2.gz LJRQXICCMKGGPF-CZUORRHYSA-N 0 0 335.379 0.892 10 0 ECAERN CNC(=O)Cn1cc(NC(=O)C(=O)N2CCC[C@@H]2c2ccco2)cn1 ZINC000153127094 436748841 /nfs/dbraw/zinc/74/88/41/436748841.db2.gz BXSJMNFSWCYZBW-GFCCVEGCSA-N 0 0 345.359 0.524 10 0 ECAERN CCCC(=O)N[C@@H]1CCC[N@H+](C[C@@H](O)COC[C@@H]2CCCO2)C1 ZINC000245199924 436760242 /nfs/dbraw/zinc/76/02/42/436760242.db2.gz QVRCSQUDERWAIU-OAGGEKHMSA-N 0 0 328.453 0.924 10 0 ECAERN CS(=O)(=O)N1CCCC[C@@H]1C(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000125155653 436763369 /nfs/dbraw/zinc/76/33/69/436763369.db2.gz XUYNLYDPZMFKHY-CQSZACIVSA-N 0 0 340.449 0.930 10 0 ECAERN CC[C@@H](Oc1ccccc1F)C(=O)NC[C@@H](O)CN1CCOCC1 ZINC000128113162 436811437 /nfs/dbraw/zinc/81/14/37/436811437.db2.gz MINZRTWAEONYGP-UKRRQHHQSA-N 0 0 340.395 0.792 10 0 ECAERN CC(=O)N1CCOC[C@@H]1C(=O)NCCc1nc2cc(F)ccc2[nH]1 ZINC000156645074 436818625 /nfs/dbraw/zinc/81/86/25/436818625.db2.gz GKWFTTYIOGCHRX-CQSZACIVSA-N 0 0 334.351 0.608 10 0 ECAERN COc1ccc2c(CC(=O)NC[C@@H](O)CN3CCOCC3)coc2c1 ZINC000154135875 436772760 /nfs/dbraw/zinc/77/27/60/436772760.db2.gz NLWRUVUQUUAFAR-CQSZACIVSA-N 0 0 348.399 0.793 10 0 ECAERN Cc1csc([C@H]2CCCN(C(=O)C(=O)NCC(=O)N(C)C)C2)n1 ZINC000154141107 436773193 /nfs/dbraw/zinc/77/31/93/436773193.db2.gz PZBKZAZCGPMCNW-NSHDSACASA-N 0 0 338.433 0.362 10 0 ECAERN CCCNC(=O)[C@@H]1CCCN(C(=O)NC[C@@H](C)N2CCOCC2)C1 ZINC000127237512 436798874 /nfs/dbraw/zinc/79/88/74/436798874.db2.gz MMMQKHJPROUVKK-HUUCEWRRSA-N 0 0 340.468 0.655 10 0 ECAERN COC(=O)CCCS(=O)(=O)N1CCC(c2ccnn2C)CC1 ZINC000159303211 436856685 /nfs/dbraw/zinc/85/66/85/436856685.db2.gz BWUHRXTYKIHXHT-UHFFFAOYSA-N 0 0 329.422 0.883 10 0 ECAERN COC(=O)Cc1cccc(C(=O)N2CCN(C[C@H](C)O)[C@H](C)C2)c1 ZINC000249599084 436824903 /nfs/dbraw/zinc/82/49/03/436824903.db2.gz XRCQPTZTAWKYKF-KGLIPLIRSA-N 0 0 334.416 0.929 10 0 ECAERN Cc1cnn(-c2ccc(C(=O)NC[C@@H](O)CN3CCOCC3)cc2)c1 ZINC000129246724 436825129 /nfs/dbraw/zinc/82/51/29/436825129.db2.gz JTOAOKQKLYQZNI-QGZVFWFLSA-N 0 0 344.415 0.604 10 0 ECAERN CC(C)[C@H](C(=O)N1CC(NC(=O)C2CC2)C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000250067083 436827738 /nfs/dbraw/zinc/82/77/38/436827738.db2.gz NNQCJJYTKAPNFO-DVOMOZLQSA-N 0 0 337.464 0.857 10 0 ECAERN C[C@@H]1CN(C(=O)NC[C@@H]2CN(C)CCO2)CCN1CC(F)(F)F ZINC000135341420 436913759 /nfs/dbraw/zinc/91/37/59/436913759.db2.gz MABIFQHIMDNFAG-VXGBXAGGSA-N 0 0 338.374 0.595 10 0 ECAERN O=C(Cn1cnnn1)N1CCN(C(=O)[C@@H]2C[C@H]2C2CCCCC2)CC1 ZINC000163261992 436920817 /nfs/dbraw/zinc/92/08/17/436920817.db2.gz DBWKXRUTFIUFEN-LSDHHAIUSA-N 0 0 346.435 0.560 10 0 ECAERN CNC(=O)c1ccc(CN(C)C(=O)NC[C@H]2CN(C)CCO2)cc1 ZINC000170924661 436961631 /nfs/dbraw/zinc/96/16/31/436961631.db2.gz IDDIGJSHBYFFQW-HNNXBMFYSA-N 0 0 334.420 0.518 10 0 ECAERN CCCNC(=O)C1CCN(C(=O)NC[C@@H]2CN(C)CCO2)CC1 ZINC000170924945 436962650 /nfs/dbraw/zinc/96/26/50/436962650.db2.gz KWSUCJNILXMNMP-CQSZACIVSA-N 0 0 326.441 0.265 10 0 ECAERN C[C@@H]1CCN(S(=O)(=O)NC2CC([N@@H+](CC(=O)[O-])CC3CC3)C2)C1 ZINC000263469588 436967072 /nfs/dbraw/zinc/96/70/72/436967072.db2.gz HIVZSOILVUCBOD-LMWSTFAQSA-N 0 0 345.465 0.490 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)N2CCSC[C@H]2CCO)C1 ZINC000263493833 436967637 /nfs/dbraw/zinc/96/76/37/436967637.db2.gz SDPUNJOWWISTTL-OTTFEQOBSA-N 0 0 345.465 0.433 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)N2CCC(COC)CC2)C1 ZINC000263482601 436967799 /nfs/dbraw/zinc/96/77/99/436967799.db2.gz OIRXEWSWNKMBID-UHFFFAOYSA-N 0 0 327.425 0.992 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)N[C@H](CO)c2ccccc2)C1 ZINC000263509815 436969633 /nfs/dbraw/zinc/96/96/33/436969633.db2.gz YKWOQEJNVKNONO-YMAMQOFZSA-N 0 0 335.404 0.957 10 0 ECAERN CN1CCO[C@@H](CNC(=O)CNC(=O)c2ccc(F)c(F)c2)C1 ZINC000171286426 436975528 /nfs/dbraw/zinc/97/55/28/436975528.db2.gz NXFKPOFLSKHJRG-NSHDSACASA-N 0 0 327.331 0.141 10 0 ECAERN CC(C)NS(=O)(=O)CCNC(=O)N1CCC[C@H]1c1cnn(C)c1 ZINC000171360184 436977601 /nfs/dbraw/zinc/97/76/01/436977601.db2.gz NVEUBSMGQRYCNZ-ZDUSSCGKSA-N 0 0 343.453 0.594 10 0 ECAERN Cn1cc([C@@H]2CCCN2C(=O)Cn2nc3ccccn3c2=O)cn1 ZINC000171350508 436977999 /nfs/dbraw/zinc/97/79/99/436977999.db2.gz YWZPPKXMJLBWKB-ZDUSSCGKSA-N 0 0 326.360 0.593 10 0 ECAERN Cc1ccc(N2CCCN(C(=O)[C@@H]3CC(F)(F)CN3)CC2)nn1 ZINC000263107539 436952812 /nfs/dbraw/zinc/95/28/12/436952812.db2.gz ACIDKLDPRHPPSM-LBPRGKRZSA-N 0 0 325.363 0.821 10 0 ECAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)NC[C@H]1CN(C)CCO1)CC2 ZINC000172583556 437019896 /nfs/dbraw/zinc/01/98/96/437019896.db2.gz KUBJCUDWGYZUMQ-OLZOCXBDSA-N 0 0 336.440 0.346 10 0 ECAERN O=C(NC[C@H]1CCCC[C@H]1O)C(=O)Nc1ccccc1-n1ccnn1 ZINC000172664851 437025406 /nfs/dbraw/zinc/02/54/06/437025406.db2.gz OUHOCASTWLUCSL-IUODEOHRSA-N 0 0 343.387 0.873 10 0 ECAERN O=C(Cc1cccc(F)c1)NCC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000172753308 437026782 /nfs/dbraw/zinc/02/67/82/437026782.db2.gz PRBTVAFXXMOPGB-INIZCTEOSA-N 0 0 349.406 0.418 10 0 ECAERN CC(=O)NCc1ccc(C(=O)N2CC[C@H](N3CCOCC3)C2)cc1 ZINC000172745037 437026889 /nfs/dbraw/zinc/02/68/89/437026889.db2.gz KJNBNYLHMWWWAY-KRWDZBQOSA-N 0 0 331.416 0.869 10 0 ECAERN Cc1nn(C)c2ncc(C(=O)N3CC[C@H](N4CCOCC4)C3)cc12 ZINC000172747909 437027817 /nfs/dbraw/zinc/02/78/17/437027817.db2.gz YMAYQQOZEDIYFA-AWEZNQCLSA-N 0 0 329.404 0.823 10 0 ECAERN O=C(Cn1c(=O)[nH]c2ccccc21)N1CC[C@@H](N2CCOCC2)C1 ZINC000172763576 437028591 /nfs/dbraw/zinc/02/85/91/437028591.db2.gz TYRPYDKEYKMZDD-CYBMUJFWSA-N 0 0 330.388 0.263 10 0 ECAERN O=C(c1cccc(-n2cncn2)c1)N1CC[C@@H](N2CCOCC2)C1 ZINC000172769198 437030032 /nfs/dbraw/zinc/03/00/32/437030032.db2.gz XNMPJHVCTDSZJS-MRXNPFEDSA-N 0 0 327.388 0.814 10 0 ECAERN O=C(CN1CCC[C@H](n2cncn2)C1)NC1CCC2(CC1)OCCO2 ZINC000171619859 436982725 /nfs/dbraw/zinc/98/27/25/436982725.db2.gz GCBZMVDPPURLPU-HNNXBMFYSA-N 0 0 349.435 0.717 10 0 ECAERN O=C(Cn1nnc(-c2ccccc2)n1)N1CCC[C@@H](n2cncn2)C1 ZINC000171662524 436985761 /nfs/dbraw/zinc/98/57/61/436985761.db2.gz HCRQPINYWIIYQN-CQSZACIVSA-N 0 0 338.375 0.795 10 0 ECAERN Cc1cnn([C@@H]2CCCN(C(=O)NCCC(=O)N3CCOCC3)C2)c1 ZINC000171899954 436992292 /nfs/dbraw/zinc/99/22/92/436992292.db2.gz OGGILFLAHLFDDL-OAHLLOKOSA-N 0 0 349.435 0.787 10 0 ECAERN Cn1cc([C@@H]2CS(=O)(=O)CCN2C(=O)NC2CCCC2)cn1 ZINC000189954494 302925591 /nfs/dbraw/zinc/92/55/91/302925591.db2.gz VYUPVNCQSBXJEZ-ZDUSSCGKSA-N 0 0 326.422 0.844 10 0 ECAERN CCOCCN1CCN(C(=O)c2ccc(-n3cnnn3)cc2)C[C@H]1C ZINC000172222157 437003746 /nfs/dbraw/zinc/00/37/46/437003746.db2.gz ZDTZXVJGUFZVIG-CQSZACIVSA-N 0 0 344.419 0.845 10 0 ECAERN CC[C@H]1CN(C(=O)CSc2n[nH]c(C)n2)CCN1C[C@@H](C)O ZINC000173362191 437046892 /nfs/dbraw/zinc/04/68/92/437046892.db2.gz YKXYKJRKKZPUPR-PWSUYJOCSA-N 0 0 327.454 0.509 10 0 ECAERN CC[C@H](C(=O)N1CCO[C@H](Cn2cc(C)cn2)C1)N1CCCC1=O ZINC000173418941 437048329 /nfs/dbraw/zinc/04/83/29/437048329.db2.gz MIWNVSXCIXZKLG-LSDHHAIUSA-N 0 0 334.420 0.820 10 0 ECAERN CNc1cc(N2CCC[C@@H]2CNC(=O)c2ccc(=O)n(C)n2)ncn1 ZINC000173443936 437049421 /nfs/dbraw/zinc/04/94/21/437049421.db2.gz VWIJIZXBXLRAMK-LLVKDONJSA-N 0 0 343.391 0.011 10 0 ECAERN C[C@H]1CN(C(=O)CN2CCCCCCC2=O)C[C@@H]1N1CCOCC1 ZINC000173828678 437065297 /nfs/dbraw/zinc/06/52/97/437065297.db2.gz ZOYCTULYQQMJBI-HOTGVXAUSA-N 0 0 337.464 0.958 10 0 ECAERN Cc1ccc(C(=O)NCC(=O)N2CC[C@H](N3CCOCC3)C2)cc1C ZINC000173921286 437069354 /nfs/dbraw/zinc/06/93/54/437069354.db2.gz KAUSCIIYLKAJRY-KRWDZBQOSA-N 0 0 345.443 0.966 10 0 ECAERN Cc1cc(N2CCC[C@@H](NC(=O)CN3CCCCC3=O)C2=O)n(C)n1 ZINC000175009600 437091998 /nfs/dbraw/zinc/09/19/98/437091998.db2.gz MVPNZIWZKJMCIQ-CYBMUJFWSA-N 0 0 347.419 0.353 10 0 ECAERN CN(C)C1=NC2(CCN(C(=O)c3nn(C)cc3Cl)CC2)C(=O)N1 ZINC000299770351 437113439 /nfs/dbraw/zinc/11/34/39/437113439.db2.gz ROZHFSQXFOHECC-UHFFFAOYSA-N 0 0 338.799 0.096 10 0 ECAERN CN(C)c1ccc(S(=O)(=O)N2CCO[C@@H]3CCN(C)C[C@@H]32)cn1 ZINC000286674255 437118572 /nfs/dbraw/zinc/11/85/72/437118572.db2.gz KTPXZDMMHLMBAG-UONOGXRCSA-N 0 0 340.449 0.241 10 0 ECAERN CNC(=O)[C@H](NC(=O)[C@H]1CCCN(C(=O)NCC(C)C)C1)C(C)C ZINC000178703330 437225460 /nfs/dbraw/zinc/22/54/60/437225460.db2.gz APOUNYLYCTVWJZ-UONOGXRCSA-N 0 0 340.468 0.951 10 0 ECAERN CNC(=O)[C@H](NC(=O)Cn1cc(Br)ccc1=O)C(C)C ZINC000178698883 437225478 /nfs/dbraw/zinc/22/54/78/437225478.db2.gz PKKLRKRCBZVPMG-GFCCVEGCSA-N 0 0 344.209 0.498 10 0 ECAERN CNC(=O)[C@H]1CCCN1C(=O)NCc1ccc(Cn2cncn2)cc1 ZINC000179229599 437255041 /nfs/dbraw/zinc/25/50/41/437255041.db2.gz AXKCZEMPMMDGEP-OAHLLOKOSA-N 0 0 342.403 0.746 10 0 ECAERN Cn1cnn(-c2ccc(NC(=O)NC[C@H]3CN(C)CCO3)cc2)c1=O ZINC000179409220 437264612 /nfs/dbraw/zinc/26/46/12/437264612.db2.gz MVPOXLUYBHBABO-AWEZNQCLSA-N 0 0 346.391 0.023 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)Nc2cnn(-c3ncccn3)c2)CC1 ZINC000181219363 437313803 /nfs/dbraw/zinc/31/38/03/437313803.db2.gz QSKDCNLCZMUFCC-AWEZNQCLSA-N 0 0 345.407 0.583 10 0 ECAERN CC(=O)NCCNC(=O)N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000182198654 437341287 /nfs/dbraw/zinc/34/12/87/437341287.db2.gz HAAMFGAYRYKYDN-ZDUSSCGKSA-N 0 0 334.424 0.987 10 0 ECAERN C[C@@H]1CN(C(=O)c2cnn(CCC(F)(F)F)c2)C[C@@H](C(N)=O)O1 ZINC000182538970 437352941 /nfs/dbraw/zinc/35/29/41/437352941.db2.gz YJDXKUNCIOKMRH-SCZZXKLOSA-N 0 0 334.298 0.550 10 0 ECAERN CCC(=O)N1CC[C@@H](NC(=O)N2CCN(C[C@H](O)CC)CC2)C1 ZINC000181999924 437335100 /nfs/dbraw/zinc/33/51/00/437335100.db2.gz NJEMZKDOMPAZIM-ZIAGYGMSSA-N 0 0 326.441 0.095 10 0 ECAERN O=C(NC[C@H](O)CN1CCOCC1)[C@H]1C[C@]12CCc1ccccc12 ZINC000179481098 303801386 /nfs/dbraw/zinc/80/13/86/303801386.db2.gz RTHOVEQYNUGRGS-WDYCEAGBSA-N 0 0 330.428 0.700 10 0 ECAERN CNS(=O)(=O)c1ccc(C(=O)N2CC[C@H](c3cnn(C)c3)C2)cn1 ZINC000184915415 437419077 /nfs/dbraw/zinc/41/90/77/437419077.db2.gz AAHSCIXFTPWKPA-LBPRGKRZSA-N 0 0 349.416 0.353 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)NCc2nccn2C(F)F)CC1 ZINC000185036854 437423412 /nfs/dbraw/zinc/42/34/12/437423412.db2.gz ROKNHOLQKRPODM-LLVKDONJSA-N 0 0 331.367 0.876 10 0 ECAERN COCC(=O)NC1CN(C[C@H](O)COc2ccc(Cl)cc2)C1 ZINC000185092083 437424549 /nfs/dbraw/zinc/42/45/49/437424549.db2.gz VEJKLVJLMWQRKB-ZDUSSCGKSA-N 0 0 328.796 0.527 10 0 ECAERN CCCCCc1nnc(NC(=O)CN2C[C@H](O)C[C@@H]2CO)s1 ZINC000185132342 437426067 /nfs/dbraw/zinc/42/60/67/437426067.db2.gz NDACRLAWYPCSMU-GHMZBOCLSA-N 0 0 328.438 0.637 10 0 ECAERN CC[C@@H]1CN(C(=O)NCC(=O)NCC2CC2)CC[N@@H+]1CCOC ZINC000183800153 437390119 /nfs/dbraw/zinc/39/01/19/437390119.db2.gz AMRWDDFLSUQAAN-CQSZACIVSA-N 0 0 326.441 0.265 10 0 ECAERN O=C(Cc1ccc2c(c1)NC(=O)C2)N1CC[C@H](N2CCOCC2)C1 ZINC000184342430 437402247 /nfs/dbraw/zinc/40/22/47/437402247.db2.gz LRERUJMYTLVALI-HNNXBMFYSA-N 0 0 329.400 0.657 10 0 ECAERN COCC(=O)NC1CN(C(=O)c2cnc(-c3ccccc3)nc2)C1 ZINC000185230737 437432634 /nfs/dbraw/zinc/43/26/34/437432634.db2.gz UWKVQWKEVZOQDL-UHFFFAOYSA-N 0 0 326.356 0.731 10 0 ECAERN COCC(=O)NC1CN(C(=O)CCCc2nc(C(C)(C)C)no2)C1 ZINC000185288282 437433889 /nfs/dbraw/zinc/43/38/89/437433889.db2.gz SRKAAQUQTMYDDG-UHFFFAOYSA-N 0 0 338.408 0.663 10 0 ECAERN CCc1nc([C@@H](C)NC(=O)N2CC(NC(=O)COC)C2)cs1 ZINC000185415165 437438725 /nfs/dbraw/zinc/43/87/25/437438725.db2.gz DRYMUOVGEQELKO-SECBINFHSA-N 0 0 326.422 0.923 10 0 ECAERN CCCn1nccc1NC(=O)C(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188022558 437521886 /nfs/dbraw/zinc/52/18/86/437521886.db2.gz IISXLSLQTOQTKU-UHFFFAOYSA-N 0 0 333.392 0.359 10 0 ECAERN Cc1nc(C)c(CCC(=O)N2CC(NC(=O)C3CCC3)C2)c(=O)[nH]1 ZINC000188551900 437556054 /nfs/dbraw/zinc/55/60/54/437556054.db2.gz LSDQQLZJGCTGEH-UHFFFAOYSA-N 0 0 332.404 0.446 10 0 ECAERN Cc1nc2n(n1)C[C@@H](NC(=O)N1CC(NC(=O)C3CCC3)C1)CC2 ZINC000188837475 437571786 /nfs/dbraw/zinc/57/17/86/437571786.db2.gz DQVVOTOGFWEONN-LBPRGKRZSA-N 0 0 332.408 0.211 10 0 ECAERN CC(=O)NC1CN(C(=O)[C@@H](Cc2ccc(F)cc2)n2nnnc2C)C1 ZINC000190473571 437625691 /nfs/dbraw/zinc/62/56/91/437625691.db2.gz BMNYEDGTSFKLFA-OAHLLOKOSA-N 0 0 346.366 0.251 10 0 ECAERN CCn1cc([C@@H]2CN(Cc3cc(=O)n4nccc4[nH]3)CCO2)cn1 ZINC000190830996 437638515 /nfs/dbraw/zinc/63/85/15/437638515.db2.gz SVEZBWRUYRXSOH-AWEZNQCLSA-N 0 0 328.376 0.813 10 0 ECAERN C[C@H](C(=O)N(C)C)S(=O)(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000192007747 437659538 /nfs/dbraw/zinc/65/95/38/437659538.db2.gz AWXHSYLSYDERNV-OCCSQVGLSA-N 0 0 327.450 0.685 10 0 ECAERN Cc1ccnc(-n2nccc2NC(=O)C(=O)N2CCC[C@H]2CO)c1 ZINC000192084700 437666333 /nfs/dbraw/zinc/66/63/33/437666333.db2.gz HYCFYOSFUFWRHH-LBPRGKRZSA-N 0 0 329.360 0.498 10 0 ECAERN CC1=C(C(=O)NC[C@H](C)N2CCOCC2)[C@@H](C)n2ncnc2N1C ZINC000192154672 437669005 /nfs/dbraw/zinc/66/90/05/437669005.db2.gz LJPXYMRCLBAWPP-WCQYABFASA-N 0 0 334.424 0.400 10 0 ECAERN COc1cc(CN(C)C(=O)[C@H]2COCCN2C(C)=O)cc(OC)c1 ZINC000372854997 438114873 /nfs/dbraw/zinc/11/48/73/438114873.db2.gz ISFDTMDIWYJZPD-MRXNPFEDSA-N 0 0 336.388 0.910 10 0 ECAERN CCO[C@]1(C(=O)NCc2nn(C)cc2Br)CCOC1 ZINC000401983614 438462017 /nfs/dbraw/zinc/46/20/17/438462017.db2.gz ZHONKJXOHVXJMW-GFCCVEGCSA-N 0 0 332.198 0.994 10 0 ECAERN O=c1[nH]ccnc1N1CCC[C@@H](NS(=O)(=O)c2cccnc2)C1 ZINC000369649290 438499471 /nfs/dbraw/zinc/49/94/71/438499471.db2.gz SBCVYBUWSJMKIP-LLVKDONJSA-N 0 0 335.389 0.112 10 0 ECAERN CCCC(=O)N1CSC[C@H]1C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000369688391 438505810 /nfs/dbraw/zinc/50/58/10/438505810.db2.gz NOZSTTIPWFVCRJ-KBPBESRZSA-N 0 0 341.477 0.621 10 0 ECAERN CC(C)(C)OC(=O)N1CC[C@@H](Nc2nc(N)nc(Cl)c2N)C1 ZINC000575434362 438749128 /nfs/dbraw/zinc/74/91/28/438749128.db2.gz RGFWRHIEPAKVBJ-SSDOTTSWSA-N 0 0 328.804 1.138 10 0 ECAERN CN1CCN(C(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1=O ZINC000491967024 439478425 /nfs/dbraw/zinc/47/84/25/439478425.db2.gz DZZQBWUHWXGCGF-LBPRGKRZSA-N 0 0 325.409 0.934 10 0 ECAERN Cn1ncc(Cl)c1S(=O)(=O)N1CCOC[C@@H]1[C@H]1CCC[C@H]1O ZINC000583616414 439486033 /nfs/dbraw/zinc/48/60/33/439486033.db2.gz ORDMJZCLKXXMCQ-YUSALJHKSA-N 0 0 349.840 0.624 10 0 ECAERN Cn1cc(S(=O)(=O)N[C@H]2CC[C@@H](C(F)(F)F)N(C)C2)cn1 ZINC000583616446 439486069 /nfs/dbraw/zinc/48/60/69/439486069.db2.gz UWBKHSGVUOJQDI-WPRPVWTQSA-N 0 0 326.344 0.724 10 0 ECAERN CC(C)n1cc([C@]2(O)CCCN(S(=O)(=O)CC3CC3)C2)nn1 ZINC000583616427 439486268 /nfs/dbraw/zinc/48/62/68/439486268.db2.gz PUSCHGZJYZPHDM-AWEZNQCLSA-N 0 0 328.438 0.882 10 0 ECAERN Cn1nccc1[C@@H]1NC(=O)CC[C@H]1NC(=O)c1cccc2nccn21 ZINC000583615034 439486410 /nfs/dbraw/zinc/48/64/10/439486410.db2.gz QCVGHLSIIMYLOP-BDJLRTHQSA-N 0 0 338.371 0.818 10 0 ECAERN Cc1nc2c(cnn2C)c(N2CC[C@@](O)(c3cn(C(C)C)nn3)C2)n1 ZINC000583615091 439486661 /nfs/dbraw/zinc/48/66/61/439486661.db2.gz MCMOHUWCKDPLIH-INIZCTEOSA-N 0 0 342.407 0.942 10 0 ECAERN C[C@H]1OCCN[C@@H]1C(=O)N1CCN(c2cccc(F)c2F)CC1 ZINC000583618361 439489291 /nfs/dbraw/zinc/48/92/91/439489291.db2.gz PWWXRPQTWXASIF-ABAIWWIYSA-N 0 0 325.359 0.990 10 0 ECAERN CCOC(=O)c1ccc([C@@H]2CCOCCN2S(N)(=O)=O)cc1 ZINC000616659654 439820555 /nfs/dbraw/zinc/82/05/55/439820555.db2.gz NQBWOTDPBAKLSK-ZDUSSCGKSA-N 0 0 328.390 0.830 10 0 ECAERN CCOC(=O)c1cccc([C@H]2CCOCCN2S(N)(=O)=O)c1 ZINC000616661823 439820602 /nfs/dbraw/zinc/82/06/02/439820602.db2.gz ZMMZXYUSORMEDG-CYBMUJFWSA-N 0 0 328.390 0.830 10 0 ECAERN NC(=O)c1ccccc1[C@H]1CNc2ccccc2N1S(N)(=O)=O ZINC000616685599 439820768 /nfs/dbraw/zinc/82/07/68/439820768.db2.gz RJCXLUWUXBYWDQ-CQSZACIVSA-N 0 0 332.385 0.962 10 0 ECAERN O=C(CNC(=O)c1ccc(Br)cc1)N[C@@H]1CCNC1=O ZINC000616971785 439825955 /nfs/dbraw/zinc/82/59/55/439825955.db2.gz VDPGQTOIMYBYSO-SNVBAGLBSA-N 0 0 340.177 0.184 10 0 ECAERN O=C(N[C@H]1CCC(=O)N[C@@H]1[C@@H]1CCCO1)c1ccnc2ccnn21 ZINC000627351553 440145306 /nfs/dbraw/zinc/14/53/06/440145306.db2.gz VZBJDNFBWZUDGM-WBIUFABUSA-N 0 0 329.360 0.285 10 0 ECAERN C[C@@H](C(=O)N1CCN2C(=O)CC[C@H]2C1)N1C(=O)c2ccccc2C1=O ZINC000644050347 440430713 /nfs/dbraw/zinc/43/07/13/440430713.db2.gz XPLHZNHEPSZDNG-RYUDHWBXSA-N 0 0 341.367 0.504 10 0 ECAERN O=C(CN1CCCC[C@H](O)C1=O)Nc1ccn(-c2ccccc2)n1 ZINC000644292705 440506627 /nfs/dbraw/zinc/50/66/27/440506627.db2.gz WUANAIADOMHTBM-AWEZNQCLSA-N 0 0 328.372 1.184 10 0 ECAERN Cc1cnn(CC2CCN(C(=O)CN3CCCC[C@H](O)C3=O)CC2)c1 ZINC000644372548 440552918 /nfs/dbraw/zinc/55/29/18/440552918.db2.gz GUPPOGBUAQXTDV-INIZCTEOSA-N 0 0 348.447 0.804 10 0 ECAERN O=C(CN1CCCC[C@H](O)C1=O)NCc1nccn1-c1ccccc1 ZINC000644449652 440596697 /nfs/dbraw/zinc/59/66/97/440596697.db2.gz NYZISFVSPQWURU-HNNXBMFYSA-N 0 0 342.399 0.862 10 0 ECAERN Cc1nnc2n1C[C@@H](C(=O)NCC1(CO)CC3(CCC3)C1)N(C)C2 ZINC000644452893 440601173 /nfs/dbraw/zinc/60/11/73/440601173.db2.gz RLEXYTXCQVJYOC-ZDUSSCGKSA-N 0 0 333.436 0.460 10 0 ECAERN CCn1ccnc1CN1C(=O)N[C@](C)(c2ccc(C(N)=O)cc2)C1=O ZINC000171424129 320513993 /nfs/dbraw/zinc/51/39/93/320513993.db2.gz KKUNIDCTAOTFNG-QGZVFWFLSA-N 0 0 341.371 0.969 10 0 ECAERN NC(=O)CSCC(=O)N1CCN(c2nc3ccccc3o2)CC1 ZINC000172387131 320516822 /nfs/dbraw/zinc/51/68/22/320516822.db2.gz SFWBUUTUYGQPQW-UHFFFAOYSA-N 0 0 334.401 0.695 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)NCCCC(=O)NC2CC2)CC1 ZINC000184861525 320535146 /nfs/dbraw/zinc/53/51/46/320535146.db2.gz JFZVOXBBJCLQGP-AWEZNQCLSA-N 0 0 326.441 0.143 10 0 ECAERN CC(C)n1cc([C@]2(O)CCCN(c3nccn4cnnc34)C2)nn1 ZINC000284708635 320632421 /nfs/dbraw/zinc/63/24/21/320632421.db2.gz ZFGGHRNWOYYXJG-HNNXBMFYSA-N 0 0 328.380 0.785 10 0 ECAERN CN(C)c1noc(CCC(=O)N2CCN[C@@H](c3cccnc3)C2)n1 ZINC000328646690 320725071 /nfs/dbraw/zinc/72/50/71/320725071.db2.gz HAXKXJSYTXWKCT-CYBMUJFWSA-N 0 0 330.392 0.636 10 0 ECAERN CCS(=O)(=O)N1CCN(C(=O)C[C@@H](C)N2CCCCC2=O)CC1 ZINC000328676984 320726878 /nfs/dbraw/zinc/72/68/78/320726878.db2.gz AJQPYRVYCNFBOV-CYBMUJFWSA-N 0 0 345.465 0.271 10 0 ECAERN O=C(Cn1ncc(=O)c2ccccc21)N1CCO[C@@H](C(=O)C2CC2)C1 ZINC000328696261 320727757 /nfs/dbraw/zinc/72/77/57/320727757.db2.gz UDGJOHZNXIHKMD-MRXNPFEDSA-N 0 0 341.367 0.603 10 0 ECAERN O=C(N1C[C@@H](O)C[C@H]1c1ccc(F)cc1)N1CCS(=O)(=O)CC1 ZINC000328917538 320741238 /nfs/dbraw/zinc/74/12/38/320741238.db2.gz KSYMTAZAGFUFTO-KBPBESRZSA-N 0 0 342.392 0.784 10 0 ECAERN Cc1c([C@H]2[C@@H](C(=O)N3C[C@H]4CC[C@@H](C3)O4)CC(=O)N2C)cnn1C ZINC000329901130 320794305 /nfs/dbraw/zinc/79/43/05/320794305.db2.gz OIWRJOTVTVWYOA-RSUWNVLCSA-N 0 0 332.404 0.638 10 0 ECAERN Cn1c(=O)cc(C(=O)N2CCN3C(=O)NC[C@H]3C2)c2ccccc21 ZINC000330307725 320816274 /nfs/dbraw/zinc/81/62/74/320816274.db2.gz SJGKCZJALJOWGU-NSHDSACASA-N 0 0 326.356 0.593 10 0 ECAERN CNS(=O)(=O)N1CCN(C(=O)C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000334053481 320929397 /nfs/dbraw/zinc/92/93/97/320929397.db2.gz SVDDPQNQGWKPTG-GJZGRUSLSA-N 0 0 337.445 0.789 10 0 ECAERN C[C@@H]1CN(C(=O)CNC(=O)c2cccs2)C[C@H]1N1CCOCC1 ZINC000173960611 534305256 /nfs/dbraw/zinc/30/52/56/534305256.db2.gz MDOIFUBFIFUDHE-CHWSQXEVSA-N 0 0 337.445 0.657 10 0 ECAERN Cn1ccc2cccc(NC(=O)NC[C@@H](O)CN3CCOCC3)c21 ZINC000190057693 534775969 /nfs/dbraw/zinc/77/59/69/534775969.db2.gz ABKWWNFKMLVAAR-CQSZACIVSA-N 0 0 332.404 0.993 10 0 ECAERN CC(=O)NC1CN(C(=O)C(=O)Nc2ccccc2Br)C1 ZINC000191343021 526705412 /nfs/dbraw/zinc/70/54/12/526705412.db2.gz KWIWORUOFKSQLN-UHFFFAOYSA-N 0 0 340.177 0.735 10 0 ECAERN CCN(C)C(=O)[C@@H](C)NC(=O)N[C@H]1CCc2nnc(C(C)C)n2C1 ZINC000191404015 527747241 /nfs/dbraw/zinc/74/72/41/527747241.db2.gz DZALWYBOKXZCOH-NEPJUHHUSA-N 0 0 336.440 0.882 10 0 ECAERN CCCCN1CCOC[C@@H]1C(=O)N(C)CC(=O)Nc1cc(C)on1 ZINC000184266384 528473767 /nfs/dbraw/zinc/47/37/67/528473767.db2.gz ZGGMSECZPKLAND-CYBMUJFWSA-N 0 0 338.408 0.881 10 0 ECAERN CCOc1cccc(C(=O)N2CCO[C@@H](C[N@H+](C)CC(=O)[O-])C2)c1 ZINC000262968364 535448412 /nfs/dbraw/zinc/44/84/12/535448412.db2.gz RJEMYUAUIQQAGO-HNNXBMFYSA-N 0 0 336.388 0.943 10 0 ECAERN CN(C[C@@H]1CN(C)CCO1)S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000074774992 545684933 /nfs/dbraw/zinc/68/49/33/545684933.db2.gz FUNNZDUWYMPEID-LBPRGKRZSA-N 0 0 342.417 0.409 10 0 ECAERN O=C(N[C@H]1CCN(C(=O)C2CCCC2)C1)N[C@@H]1CCc2ncnn2C1 ZINC000130658518 545786958 /nfs/dbraw/zinc/78/69/58/545786958.db2.gz GJMUQZZXBNESGB-KGLIPLIRSA-N 0 0 346.435 0.683 10 0 ECAERN C[C@@H](C(=O)N[C@H]1CCCn2ncnc21)N1C(=O)c2ccccc2C1=O ZINC000177572483 545874315 /nfs/dbraw/zinc/87/43/15/545874315.db2.gz VIYRQJWRFBCLBJ-GWCFXTLKSA-N 0 0 339.355 0.914 10 0 ECAERN CC(C)c1ccnc(N2CCN(C[C@@H](O)CN3CCCC3=O)CC2)n1 ZINC000185865476 545895666 /nfs/dbraw/zinc/89/56/66/545895666.db2.gz UXGHVIXKNZIZDF-OAHLLOKOSA-N 0 0 347.463 0.705 10 0 ECAERN CC(=O)NC1CN(C(=O)C(=O)Nc2ccnn2-c2ccccc2)C1 ZINC000191349345 545909474 /nfs/dbraw/zinc/90/94/74/545909474.db2.gz BVCGOHAZVLXAQB-UHFFFAOYSA-N 0 0 327.344 0.158 10 0 ECAERN Cc1nn(C)c2nccc(N3C[C@@H](O)[C@H](Oc4cnn(C)c4)C3)c12 ZINC000624424218 546923506 /nfs/dbraw/zinc/92/35/06/546923506.db2.gz OTNKFXPDLDGABA-ZIAGYGMSSA-N 0 0 328.376 0.639 10 0 ECAERN CO[C@@H]1COC[C@H]1n1cc(C(=O)N2CC(Oc3ccccc3)C2)nn1 ZINC000685431349 549692205 /nfs/dbraw/zinc/69/22/05/549692205.db2.gz FUGDPNOAUNHLCA-HZPDHXFCSA-N 0 0 344.371 0.768 10 0 ECAERN Cc1noc(C[C@]2(O)CCCN(CC(=O)N(C)Cc3ccco3)C2)n1 ZINC000888076890 586245691 /nfs/dbraw/zinc/24/56/91/586245691.db2.gz UIZCNINDAHPNAZ-QGZVFWFLSA-N 0 0 348.403 0.999 10 0 ECAERN CCOC(=O)c1ncc(Br)c(N2CCO[C@@H](CO)C2)n1 ZINC000892848105 586295593 /nfs/dbraw/zinc/29/55/93/586295593.db2.gz RVGJOHKAHYFLFL-MRVPVSSYSA-N 0 0 346.181 0.613 10 0 ECAERN Cc1cc(C(=O)N[C@@H]2CCCC[C@@H]2Cc2nn(C)c(=O)n2C)on1 ZINC000888098154 586349818 /nfs/dbraw/zinc/34/98/18/586349818.db2.gz ARXUQCAMWBXMFI-VXGBXAGGSA-N 0 0 333.392 0.947 10 0 ECAERN CNC(=O)[C@@H]1CC(=O)N(C2CN(C(=O)c3cncc(Cl)c3)C2)C1 ZINC000888098700 586350139 /nfs/dbraw/zinc/35/01/39/586350139.db2.gz SROXCLSYELAAGX-SNVBAGLBSA-N 0 0 336.779 0.154 10 0 ECAERN CN1C(=O)CS/C1=C\C(=O)N1CC[C@@H](n2cc(C3CC3)nn2)C1 ZINC000899090398 586469774 /nfs/dbraw/zinc/46/97/74/586469774.db2.gz YOOZJMQLLZUIOA-HJCFUPBFSA-N 0 0 333.417 0.976 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)[C@@]2(c3ccccc3)C[C@@H](O)C2)CC1 ZINC000900603508 586646907 /nfs/dbraw/zinc/64/69/07/586646907.db2.gz WPIDUPUTYPRYJV-JENIJYKNSA-N 0 0 332.444 0.994 10 0 ECAERN C=CC(=O)N(CC)CC(=O)N(C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000900757698 586660061 /nfs/dbraw/zinc/66/00/61/586660061.db2.gz XKTXGQVQRWGFMI-CQSZACIVSA-N 0 0 331.420 0.938 10 0 ECAERN CCn1ncc2c1CCC[C@H]2NC(=O)C1CN(S(C)(=O)=O)C1 ZINC000900939787 586677767 /nfs/dbraw/zinc/67/77/67/586677767.db2.gz CCXQUZCLQYULLT-GFCCVEGCSA-N 0 0 326.422 0.288 10 0 ECAERN CCn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2c[nH]c(=O)cc2C)cn1 ZINC000818606700 587440688 /nfs/dbraw/zinc/44/06/88/587440688.db2.gz JRLBIEGVNREDBR-UONOGXRCSA-N 0 0 332.360 0.888 10 0 ECAERN CCCC[C@H]1NC(=O)N(CN2CCO[C@H](Cn3cc(C)cn3)C2)C1=O ZINC000112071747 589576831 /nfs/dbraw/zinc/57/68/31/589576831.db2.gz UPFHABUWOUQXOX-LSDHHAIUSA-N 0 0 349.435 0.960 10 0 ECAERN CCn1cc(O[C@@H]2COC[C@@H]2NC(=O)COCc2nccn2C)cn1 ZINC000855000979 589616921 /nfs/dbraw/zinc/61/69/21/589616921.db2.gz OVUQBRGWYVCCAV-UONOGXRCSA-N 0 0 349.391 0.116 10 0 ECAERN C[C@@H]1CN(Cn2ncn(CC(F)(F)F)c2=S)C[C@H](C(N)=O)O1 ZINC000120287624 590116859 /nfs/dbraw/zinc/11/68/59/590116859.db2.gz GSMJKLVVIPMBTH-HTQZYQBOSA-N 0 0 339.343 0.508 10 0 ECAERN O=C(C[C@H]1CS(=O)(=O)CCN1)NCCSc1ccccc1 ZINC000126615185 590474536 /nfs/dbraw/zinc/47/45/36/590474536.db2.gz FNADHBBABWAXNA-LBPRGKRZSA-N 0 0 328.459 0.672 10 0 ECAERN O=C(C[C@H]1CS(=O)(=O)CCN1)Nc1nc2c(s1)CCCC2 ZINC000126697066 590480754 /nfs/dbraw/zinc/48/07/54/590480754.db2.gz QXJJWMDFLBLQOD-VIFPVBQESA-N 0 0 329.447 0.737 10 0 ECAERN CCOC(=O)c1cnn(CN2CCO[C@H](Cn3cc(C)cn3)C2)c1 ZINC000133131762 590683382 /nfs/dbraw/zinc/68/33/82/590683382.db2.gz BXMONBQJUBUZDQ-HNNXBMFYSA-N 0 0 333.392 0.923 10 0 ECAERN Cn1cnnc1C[C@@]1(O)CCCN(C(=O)Cn2cc(Cl)cn2)C1 ZINC000886084558 590792836 /nfs/dbraw/zinc/79/28/36/590792836.db2.gz IWNLLRRXPHJISS-AWEZNQCLSA-N 0 0 338.799 0.261 10 0 ECAERN Cc1noc(C[C@]2(O)CCCN(C(=O)Cc3cn(C)nc3C)C2)n1 ZINC000886088301 590793597 /nfs/dbraw/zinc/79/35/97/590793597.db2.gz GJMVPSNYLYFNFX-MRXNPFEDSA-N 0 0 333.392 0.559 10 0 ECAERN CC(=O)N1CC(C(=O)N[C@@H]2CC[C@@H](C(F)(F)F)N(C(C)=O)C2)C1 ZINC000886085231 590793660 /nfs/dbraw/zinc/79/36/60/590793660.db2.gz IJLJSUYCCOGTAS-NEPJUHHUSA-N 0 0 335.326 0.523 10 0 ECAERN Cn1cc([C@@H]2[C@@H](CNC(=O)c3cncnc3)CCC(=O)N2C)cn1 ZINC000886088448 590793916 /nfs/dbraw/zinc/79/39/16/590793916.db2.gz HCVHPKGLNMWGAN-ABAIWWIYSA-N 0 0 328.376 0.550 10 0 ECAERN Cn1cc([C@@H]2[C@@H](CNC(=O)c3cncn3C)CCC(=O)N2C)cn1 ZINC000886088063 590794048 /nfs/dbraw/zinc/79/40/48/590794048.db2.gz BAFIMFKJMQJTKE-ABAIWWIYSA-N 0 0 330.392 0.493 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)N[C@@H](C)c2nnnn2C2CC2)CC1 ZINC000188770309 611382945 /nfs/dbraw/zinc/38/29/45/611382945.db2.gz YOGKQHJYBIQEDZ-AAEUAGOBSA-N 0 0 337.428 0.167 10 0 ECAERN CCCOC(=O)[C@@H](C)N1CCN(c2cc(C)nc3ncnn32)CC1 ZINC000159053320 611452416 /nfs/dbraw/zinc/45/24/16/611452416.db2.gz XEXPCCKUMBOJTH-CYBMUJFWSA-N 0 0 332.408 0.896 10 0 ECAERN COC(=O)[C@H]1C[C@H]1C(=O)NCC1CCN(C(=O)C(F)(F)F)CC1 ZINC000074064583 611486437 /nfs/dbraw/zinc/48/64/37/611486437.db2.gz MGERKERFMVBYGU-ZJUUUORDSA-N 0 0 336.310 0.713 10 0 ECAERN CNC(=O)[C@H](NC(=O)c1cccc(CS(C)(=O)=O)c1)C(C)C ZINC000178721568 608970075 /nfs/dbraw/zinc/97/00/75/608970075.db2.gz YUZBJFFTIIJLNO-CYBMUJFWSA-N 0 0 326.418 0.732 10 0 ECAERN Cc1nnc2n1C[C@H](C(=O)NCc1c3nc[nH]c3ccc1F)N(C)C2 ZINC000913416471 609670838 /nfs/dbraw/zinc/67/08/38/609670838.db2.gz JRJLDLITEUAXDY-CYBMUJFWSA-N 0 0 343.366 0.732 10 0 ECAERN CC(C)(C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H]1C[C@@H](O)[C@H]1n1cccn1 ZINC000909158700 609679160 /nfs/dbraw/zinc/67/91/60/609679160.db2.gz DTGKWOCWOVBSCD-SYQHCUMBSA-N 0 0 334.420 0.711 10 0 ECAERN Cc1nn(C)c2cnn(CCC(=O)NCCCN3CCOCC3)c12 ZINC000223860642 609715452 /nfs/dbraw/zinc/71/54/52/609715452.db2.gz UQDPZLYIDBXFQX-UHFFFAOYSA-N 0 0 334.424 0.307 10 0 ECAERN CC[C@@H](C)[C@H]1Nc2ncnc(NCCN3CCOCC3)c2NC1=O ZINC000224001824 609716606 /nfs/dbraw/zinc/71/66/06/609716606.db2.gz QOVNHOKVGKTSQM-VXGBXAGGSA-N 0 0 334.424 0.999 10 0 ECAERN COCCN1C(=O)c2cccn2C[C@@H]1CNC(=O)c1cc(C)n(C)n1 ZINC000169749393 609745054 /nfs/dbraw/zinc/74/50/54/609745054.db2.gz TUHITULXXYTIBV-ZDUSSCGKSA-N 0 0 345.403 0.431 10 0 ECAERN C[C@H]1C[C@@H]1NC(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000171853269 609765277 /nfs/dbraw/zinc/76/52/77/609765277.db2.gz DMGOKJIRXARNBA-WPRPVWTQSA-N 0 0 325.381 0.958 10 0 ECAERN CCC[C@H]1CC(=O)N(CN2CCN(c3ccc4nncn4n3)CC2)C1 ZINC000173360230 609779707 /nfs/dbraw/zinc/77/97/07/609779707.db2.gz LRGBRCOSQKMCKB-AWEZNQCLSA-N 0 0 343.435 0.852 10 0 ECAERN COC[C@@]1(C)NC(=O)N(CN2CCC(c3ccnn3C)CC2)C1=O ZINC000152189191 609838402 /nfs/dbraw/zinc/83/84/02/609838402.db2.gz NFSAQSNYHSPRLP-MRXNPFEDSA-N 0 0 335.408 0.514 10 0 ECAERN COC(=O)c1cn(CN2CCO[C@H](Cn3nc(C)cc3C)C2)nn1 ZINC000152867009 609884435 /nfs/dbraw/zinc/88/44/35/609884435.db2.gz GSVCCNDPVNXCNH-ZDUSSCGKSA-N 0 0 334.380 0.237 10 0 ECAERN Cc1ccc(NC(=O)CSCC(=O)N2CCOC[C@H]2CO)cc1 ZINC000912428594 609958872 /nfs/dbraw/zinc/95/88/72/609958872.db2.gz XLCJFOBSARHSTH-CQSZACIVSA-N 0 0 338.429 0.886 10 0 ECAERN C[C@@H]1CN(c2nnnn2Cc2ccccc2)C[C@H]1N1CCOCC1 ZINC000929058300 611726690 /nfs/dbraw/zinc/72/66/90/611726690.db2.gz DGMPOVNJWCHQRF-GDBMZVCRSA-N 0 0 328.420 0.878 10 0 ECAERN C[C@@H](CNC(=O)C(=O)Nc1ccc(N(C)C)cc1)N1CCOCC1 ZINC000078721656 611869328 /nfs/dbraw/zinc/86/93/28/611869328.db2.gz XPRIBJZSOPZWHU-ZDUSSCGKSA-N 0 0 334.420 0.528 10 0 ECAERN C[C@@](O)(CN1CCN(CC(=O)N2CCOCC2)CC1)c1ccccc1 ZINC000195231095 612358092 /nfs/dbraw/zinc/35/80/92/612358092.db2.gz VIHOAUOSWYLRMW-LJQANCHMSA-N 0 0 347.459 0.371 10 0 ECAERN CC(C)[C@@]1(C)NC(=O)N(CN2CCO[C@@H](Cn3cccn3)C2)C1=O ZINC000246950674 612536843 /nfs/dbraw/zinc/53/68/43/612536843.db2.gz FQFRGBOMLFLUQG-CZUORRHYSA-N 0 0 335.408 0.508 10 0 ECAERN CC(C)[C@@]1(C)CC(=O)N(CN2CCO[C@@H](Cn3cccn3)C2)C1=O ZINC000247032683 612718519 /nfs/dbraw/zinc/71/85/19/612718519.db2.gz KHTDSMSYYYVCKJ-RHSMWYFYSA-N 0 0 334.420 0.963 10 0 ECAERN CC(C)[C@]1(C)CC(=O)N(CN2CCO[C@@H](Cn3cccn3)C2)C1=O ZINC000247032669 612718689 /nfs/dbraw/zinc/71/86/89/612718689.db2.gz KHTDSMSYYYVCKJ-PBHICJAKSA-N 0 0 334.420 0.963 10 0 ECAERN CN(CCS(=O)(=O)CCN(C)C[C@@H]1CCCO1)C[C@H]1CCCO1 ZINC000246200906 612811010 /nfs/dbraw/zinc/81/10/10/612811010.db2.gz XRIPENXHVFLSAV-IYBDPMFKSA-N 0 0 348.509 0.623 10 0 ECAERN CN1CCO[C@@H](CNC(=O)c2ccc3c(c2)NC(=O)CCN3C)C1 ZINC000174392688 529784386 /nfs/dbraw/zinc/78/43/86/529784386.db2.gz JVXKZCAYHCQGRL-ZDUSSCGKSA-N 0 0 332.404 0.525 10 0 ECAERN O=C1C[C@H](N2CCC3(CC2)OCCO3)C(=O)N1c1ccc(O)cc1 ZINC000019766859 202019761 /nfs/dbraw/zinc/01/97/61/202019761.db2.gz LZJJZEPFZPCQAQ-AWEZNQCLSA-N 0 0 332.356 0.863 10 0 ECAERN NC(=O)C[C@@H](N)C(=O)Nc1ccc(I)cc1 ZINC000037481891 213149665 /nfs/dbraw/zinc/14/96/65/213149665.db2.gz UNDCIOAFFNROLN-MRVPVSSYSA-N 0 0 333.129 0.432 10 0 ECAERN CNC(=O)C1CN(C(=O)[C@H]2CC(=O)N(C)[C@@H]2c2ccc(F)cc2)C1 ZINC000186194560 283287348 /nfs/dbraw/zinc/28/73/48/283287348.db2.gz PMGZZRMQSRUFEV-DZGCQCFKSA-N 0 0 333.363 0.550 10 0 ECAERN CCn1cc([C@@H]2CN(C(=O)NCC(C)(C)C(=O)NC)CCO2)cn1 ZINC000189629111 237086455 /nfs/dbraw/zinc/08/64/55/237086455.db2.gz ATBZFEXAWFZNNL-ZDUSSCGKSA-N 0 0 337.424 0.758 10 0 ECAERN Cn1cc([C@H]2CSCCN2C(=O)NCC(=O)NCC2CC2)cn1 ZINC000189802509 237265856 /nfs/dbraw/zinc/26/58/56/237265856.db2.gz QZNHPUXEKSTYLD-CYBMUJFWSA-N 0 0 337.449 0.746 10 0 ECAERN CC[C@H](Oc1ccccc1)C(=O)Nc1c(N)n(C)c(=O)n(C)c1=O ZINC000034059257 202273215 /nfs/dbraw/zinc/27/32/15/202273215.db2.gz OMJVEAVYLNCOCJ-NSHDSACASA-N 0 0 332.360 0.462 10 0 ECAERN C[C@@H]1CC(=O)O[C@H](C)[C@H](O)/C=C\C(=O)O[C@H](C)[C@H](O)/C=C\C(=O)O1 ZINC000036374517 202323483 /nfs/dbraw/zinc/32/34/83/202323483.db2.gz MJMMUATWVTYSFD-AWTDZUGASA-N 0 0 342.344 0.019 10 0 ECAERN O=C(CN1C(=O)C[C@H](c2cccc(F)c2)NC1=O)N1CCOCC1 ZINC000037553812 202347177 /nfs/dbraw/zinc/34/71/77/202347177.db2.gz DOTWDJOFMSAXRF-CYBMUJFWSA-N 0 0 335.335 0.668 10 0 ECAERN C[NH+](C)CCCn1c(=O)c2cc(Cl)ccc2n(CC(=O)[O-])c1=O ZINC000073659151 202371260 /nfs/dbraw/zinc/37/12/60/202371260.db2.gz VLHBHZSRAPNZGS-UHFFFAOYSA-N 0 0 339.779 0.853 10 0 ECAERN O=C([O-])C[NH+]1CCN(Cc2cc(=O)[nH]c(-c3ccccc3F)n2)CC1 ZINC000073696071 202372011 /nfs/dbraw/zinc/37/20/11/202372011.db2.gz ZXGMLTWSDICCLD-UHFFFAOYSA-N 0 0 346.362 0.778 10 0 ECAERN O=C(NC1CN(C(=O)NCc2nncn2-c2ccccc2)C1)C1CC1 ZINC000190276124 238352934 /nfs/dbraw/zinc/35/29/34/238352934.db2.gz YTXREVZJHMLYAF-UHFFFAOYSA-N 0 0 340.387 0.687 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1nc3nc(C)cc(C)n3n1)CC2 ZINC000114862166 201071980 /nfs/dbraw/zinc/07/19/80/201071980.db2.gz PRYAJKBRDRLWRD-NSHDSACASA-N 0 0 340.391 0.640 10 0 ECAERN CCc1nc2n(n1)C[C@H](NS(=O)(=O)c1c(C)nn(C)c1C)CC2 ZINC000114874323 201072285 /nfs/dbraw/zinc/07/22/85/201072285.db2.gz YTNWGTIRIHWJDZ-LLVKDONJSA-N 0 0 338.437 0.484 10 0 ECAERN CCn1cc(CN2CCCN(C(=O)CN3CCCCC3=O)CC2)cn1 ZINC000105830265 201060369 /nfs/dbraw/zinc/06/03/69/201060369.db2.gz QKDFRJBCHWGVLD-UHFFFAOYSA-N 0 0 347.463 0.950 10 0 ECAERN C[C@@H]1CN(C(=O)CN2CCCN(Cc3cnn(C)c3)CC2)C[C@@H](C)O1 ZINC000105869475 201061413 /nfs/dbraw/zinc/06/14/13/201061413.db2.gz NCTICYDFDNYABK-HZPDHXFCSA-N 0 0 349.479 0.564 10 0 ECAERN CCn1cc(CN2CCCN(C(=O)CCNC(=O)OC)CC2)cn1 ZINC000107596433 201062345 /nfs/dbraw/zinc/06/23/45/201062345.db2.gz JUPJLKDJVWVVLU-UHFFFAOYSA-N 0 0 337.424 0.683 10 0 ECAERN CCCS(=O)(=O)CC(=O)N1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC000116775232 201077101 /nfs/dbraw/zinc/07/71/01/201077101.db2.gz MXXQDPHOXDDDAM-CQSZACIVSA-N 0 0 342.465 0.958 10 0 ECAERN CCCn1c(=O)c2c(ncn2CCC[C@@H](O)[C@@H](C)O)n(CC)c1=O ZINC000013887177 201365902 /nfs/dbraw/zinc/36/59/02/201365902.db2.gz QWFXGJOMPNQZNP-VXGBXAGGSA-N 0 0 338.408 0.312 10 0 ECAERN CCOC(=O)CN1CC[NH+]([C@@H](CC(=O)c2ccccc2)C(=O)[O-])CC1 ZINC000022859838 201372658 /nfs/dbraw/zinc/37/26/58/201372658.db2.gz BRQWIAOCVUYJKZ-HNNXBMFYSA-N 0 0 348.399 0.893 10 0 ECAERN Cc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N(C)Cc2ccon2)o1 ZINC000055254417 202686624 /nfs/dbraw/zinc/68/66/24/202686624.db2.gz HXFZSVWUVXZDMX-HNNXBMFYSA-N 0 0 346.387 0.925 10 0 ECAERN Cc1cnc(S(=O)(=O)c2ccc(S(N)(=O)=O)s2)c(C)n1 ZINC000211828465 241085647 /nfs/dbraw/zinc/08/56/47/241085647.db2.gz OMTFIUAWJSOTDL-UHFFFAOYSA-N 0 0 333.416 0.635 10 0 ECAERN O=C(Cc1ccccc1)N[C@H]1CS(=O)(=O)C[C@H]1N1CCCCC1 ZINC000069438503 203000222 /nfs/dbraw/zinc/00/02/22/203000222.db2.gz RHCVILQFXHCHEA-JKSUJKDBSA-N 0 0 336.457 0.997 10 0 ECAERN O=C(CCc1ccco1)N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCCCC1 ZINC000069520529 203013363 /nfs/dbraw/zinc/01/33/63/203013363.db2.gz RAPSMHVDXAUPFH-CABCVRRESA-N 0 0 340.445 0.980 10 0 ECAERN CNS(=O)(=O)c1cccc(C(=O)O[C@@H]2CCCCNC2=O)c1 ZINC000069531719 203016012 /nfs/dbraw/zinc/01/60/12/203016012.db2.gz AJNMDHFDBOIINW-GFCCVEGCSA-N 0 0 326.374 0.420 10 0 ECAERN O=C(N[C@@H]1CO[C@H](CNC(=O)c2ccncc2)[C@H]1O)c1cccs1 ZINC000077265514 203375927 /nfs/dbraw/zinc/37/59/27/203375927.db2.gz WHKAMGGWMKHJQV-BZPMIXESSA-N 0 0 347.396 0.431 10 0 ECAERN O=C(c1cnccn1)N1CCc2onc(CN3CCOCC3)c2C1 ZINC000096084877 203829081 /nfs/dbraw/zinc/82/90/81/203829081.db2.gz ZVSOZTJCAWNXIC-UHFFFAOYSA-N 0 0 329.360 0.495 10 0 ECAERN COC[C@H](O)CN(C)C(=O)Cn1cc(Br)ccc1=O ZINC000042503212 204105318 /nfs/dbraw/zinc/10/53/18/204105318.db2.gz QPIPQTQVBLAEQT-SNVBAGLBSA-N 0 0 333.182 0.077 10 0 ECAERN Cc1nnc(CN2CCN(c3nc(C)nc4c3cnn4C)CC2)n1C ZINC000105796491 204160700 /nfs/dbraw/zinc/16/07/00/204160700.db2.gz VZJQOUHYQZPGCD-UHFFFAOYSA-N 0 0 341.423 0.431 10 0 ECAERN CC(C)(C)n1cc(CN2CCN(Cc3nc(N)nc(N)n3)CC2)cn1 ZINC000105866071 204173497 /nfs/dbraw/zinc/17/34/97/204173497.db2.gz HMCRIPGJSKMSDH-UHFFFAOYSA-N 0 0 345.455 0.305 10 0 ECAERN Cc1nc(CN2CCCN(C(=O)CCNC(N)=O)CC2)cs1 ZINC000105870301 204173569 /nfs/dbraw/zinc/17/35/69/204173569.db2.gz WLDVGGJUEJULFG-UHFFFAOYSA-N 0 0 325.438 0.544 10 0 ECAERN CCNC(=O)CCCC(=O)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000105874954 204175397 /nfs/dbraw/zinc/17/53/97/204175397.db2.gz PGHXJWRDSFEMCV-UHFFFAOYSA-N 0 0 335.452 0.761 10 0 ECAERN Cn1ncc(C(=O)N2CCO[C@@H](Cn3cccn3)C2)c1-n1cccc1 ZINC000111087129 204335355 /nfs/dbraw/zinc/33/53/55/204335355.db2.gz JNGLJYGSVMRHBG-CQSZACIVSA-N 0 0 340.387 0.949 10 0 ECAERN O=C(CCCNC(=O)c1cccnc1)N[C@@H]1CCc2ncnn2C1 ZINC000123223966 204908262 /nfs/dbraw/zinc/90/82/62/204908262.db2.gz FVJKSBBXDGKABN-CYBMUJFWSA-N 0 0 328.376 0.314 10 0 ECAERN CNC(=O)COc1cccc(CC(=O)NCCn2cc(C)cn2)c1 ZINC000123804148 204934952 /nfs/dbraw/zinc/93/49/52/204934952.db2.gz FOKHXKDUDYIRKK-UHFFFAOYSA-N 0 0 330.388 0.675 10 0 ECAERN COCCNc1ccccc1CNC(=O)NC[C@H]1CN(C)CCO1 ZINC000128390040 205146282 /nfs/dbraw/zinc/14/62/82/205146282.db2.gz UGRADYLMUGNWJK-HNNXBMFYSA-N 0 0 336.436 0.875 10 0 ECAERN O=C(NC[C@@H](O)CN1CCOCC1)c1cc(=O)[nH]c2cc(F)ccc21 ZINC000128061262 205130165 /nfs/dbraw/zinc/13/01/65/205130165.db2.gz CAAPGRGROZQHIY-GFCCVEGCSA-N 0 0 349.362 0.090 10 0 ECAERN O=C(NC[C@H](O)CN1CCOCC1)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000132510639 205328473 /nfs/dbraw/zinc/32/84/73/205328473.db2.gz FPNMGGIOCMBXTG-MELADBBJSA-N 0 0 340.370 0.878 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)c2cc(Cn3cc(C)cn3)on2)CC1 ZINC000131998752 205309669 /nfs/dbraw/zinc/30/96/69/205309669.db2.gz RUZTYZVFTVGUKX-AWEZNQCLSA-N 0 0 347.419 0.757 10 0 ECAERN CC(C)[C@H](NC(=O)NCC[S@@](=O)Cc1ccccc1)C(N)=O ZINC000135269280 205450905 /nfs/dbraw/zinc/45/09/05/205450905.db2.gz DVJAFSRYPVUGOQ-XMHCIUCPSA-N 0 0 325.434 0.744 10 0 ECAERN O=C([C@H]1CNC(=O)C1)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 ZINC000153266581 205833053 /nfs/dbraw/zinc/83/30/53/205833053.db2.gz NJWICRDBJVZIDW-GFCCVEGCSA-N 0 0 335.791 0.647 10 0 ECAERN CCO[C@@H]1C[C@@H](N(C)C(=O)Cn2ccc(=O)[nH]c2=O)C12CCCC2 ZINC000156222281 206063326 /nfs/dbraw/zinc/06/33/26/206063326.db2.gz WWRDVZUWGMLUFP-CHWSQXEVSA-N 0 0 335.404 0.733 10 0 ECAERN Cc1nn(C)c(C)c1-c1cc(C(=O)N2C[C@@H](C)O[C@H](C(N)=O)C2)[nH]n1 ZINC000157339030 206130304 /nfs/dbraw/zinc/13/03/04/206130304.db2.gz UYEOOYZDOOSZRX-OQPBUACISA-N 0 0 346.391 0.142 10 0 ECAERN C[C@@H]1CN(C(=O)CCc2nc(-c3ccco3)no2)C[C@H](C(N)=O)O1 ZINC000157410911 206134611 /nfs/dbraw/zinc/13/46/11/206134611.db2.gz IZJURPJWFOKBMZ-MWLCHTKSSA-N 0 0 334.332 0.363 10 0 ECAERN CCOCCS(=O)(=O)N(C)[C@H]1CCCN(c2cccnn2)C1 ZINC000172459673 206831749 /nfs/dbraw/zinc/83/17/49/206831749.db2.gz PDSLZUTXSURLNU-ZDUSSCGKSA-N 0 0 328.438 0.744 10 0 ECAERN C[C@H](NS(=O)(=O)CCS(C)(=O)=O)c1ccc(F)c(F)c1 ZINC000172978565 206886313 /nfs/dbraw/zinc/88/63/13/206886313.db2.gz NJRPBLALWIXSQH-QMMMGPOBSA-N 0 0 327.374 0.990 10 0 ECAERN Cc1cc(N2CCC[C@H](NC(=O)Cc3cnn(C)c3)C2=O)n(C)n1 ZINC000175017844 207084510 /nfs/dbraw/zinc/08/45/10/207084510.db2.gz MDXNKSYEFVISDU-ZDUSSCGKSA-N 0 0 330.392 0.316 10 0 ECAERN Cc1cnn(C[C@H]2CN(C(=O)C(=O)Nc3nc(C)cs3)CCO2)c1 ZINC000176019304 207182226 /nfs/dbraw/zinc/18/22/26/207182226.db2.gz GTFUNTMRALGBMQ-GFCCVEGCSA-N 0 0 349.416 0.823 10 0 ECAERN Cn1cncc1CN1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000177058221 207289755 /nfs/dbraw/zinc/28/97/55/207289755.db2.gz PQCLPYVLAMJXBT-QGZVFWFLSA-N 0 0 330.432 0.978 10 0 ECAERN Cc1nccn1C[C@H]1CCCN1C(=O)CCN1CCCS1(=O)=O ZINC000177164216 207302259 /nfs/dbraw/zinc/30/22/59/207302259.db2.gz KXCLYVFQFVAMMU-CQSZACIVSA-N 0 0 340.449 0.608 10 0 ECAERN O=C(Nc1cccnc1-n1cccn1)C(=O)N[C@H]1CCCC[C@H]1O ZINC000177181976 207303390 /nfs/dbraw/zinc/30/33/90/207303390.db2.gz VQXITJFMZHRYNL-WCQYABFASA-N 0 0 329.360 0.626 10 0 ECAERN O=C(CCNC(=O)OCC(F)(F)F)N[C@H]1CCCn2ncnc21 ZINC000177615798 207362814 /nfs/dbraw/zinc/36/28/14/207362814.db2.gz RHDDZSFLMBAOIH-QMMMGPOBSA-N 0 0 335.286 0.908 10 0 ECAERN O=C(Nc1cc(F)c(F)cc1F)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000177627778 207364789 /nfs/dbraw/zinc/36/47/89/207364789.db2.gz DOGMDUHZRVNXPE-ZETCQYMHSA-N 0 0 339.277 0.765 10 0 ECAERN CCOc1cccc(NC(=O)C(=O)N[C@@H]2CCc3ncnn3C2)c1 ZINC000177626549 207366189 /nfs/dbraw/zinc/36/61/89/207366189.db2.gz BNLOJNQGTCQJEH-GFCCVEGCSA-N 0 0 329.360 0.747 10 0 ECAERN CC(=O)N[C@H]1CCCN(C(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)C1 ZINC000411483282 208106708 /nfs/dbraw/zinc/10/67/08/208106708.db2.gz BKJAFPAEBXJNCU-YPMHNXCESA-N 0 0 343.383 0.798 10 0 ECAERN O=C([O-])c1ccc(S(=O)(=O)N2CC[N@@H+]3CCC[C@H]3C2)c(F)c1 ZINC000245463286 304249650 /nfs/dbraw/zinc/24/96/50/304249650.db2.gz OOONDRBDCBFNPC-NSHDSACASA-N 0 0 328.365 0.993 10 0 ECAERN COCC(=O)NC1CN(S(=O)(=O)Cc2ccc(C)c(F)c2)C1 ZINC000187716033 533063360 /nfs/dbraw/zinc/06/33/60/533063360.db2.gz YOGILPUOWWXTKI-UHFFFAOYSA-N 0 0 330.381 0.411 10 0 ECAERN CC(C)c1nc2c(n1C)CCN(C(=O)CN1C(=O)NC(C)(C)C1=O)C2 ZINC000112671168 220370114 /nfs/dbraw/zinc/37/01/14/220370114.db2.gz NEASJHLPZDIMTR-UHFFFAOYSA-N 0 0 347.419 0.759 10 0 ECAERN COC[C@@H](C)S(=O)(=O)N1CCN([C@@H](C)c2nc(C)no2)CC1 ZINC000117921257 221099334 /nfs/dbraw/zinc/09/93/34/221099334.db2.gz LMDDIERTMIVHMT-MNOVXSKESA-N 0 0 332.426 0.421 10 0 ECAERN Cc1cnn(CCNC(=O)C(=O)Nc2ccc(-n3ccnn3)cc2)c1 ZINC000118132916 221128549 /nfs/dbraw/zinc/12/85/49/221128549.db2.gz YCDLXIQHSNJKQQ-UHFFFAOYSA-N 0 0 339.359 0.527 10 0 ECAERN CCS(=O)(=O)NC[C@@H]1CO[C@H]2CN(c3ncc(F)cn3)C[C@@H]12 ZINC000253490228 257658811 /nfs/dbraw/zinc/65/88/11/257658811.db2.gz HXAOYDJRZIAMHD-USWWRNFRSA-N 0 0 330.385 0.006 10 0 ECAERN Cn1cnc(S(=O)(=O)N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC2)c1 ZINC000248151591 257662900 /nfs/dbraw/zinc/66/29/00/257662900.db2.gz UKMBBBPCYYDFCL-CHWSQXEVSA-N 0 0 338.433 0.584 10 0 ECAERN CS(=O)(=O)NC[C@@H]1OC[C@H]2CCN(C(=O)c3ccoc3)C[C@@H]12 ZINC000247539982 257680069 /nfs/dbraw/zinc/68/00/69/257680069.db2.gz RYUSHIFJCQNNRJ-RTXFEEFZSA-N 0 0 328.390 0.306 10 0 ECAERN CS(=O)(=O)NC[C@@H]1OC[C@H]2CCN(C(=O)c3ccccc3)C[C@@H]12 ZINC000247545474 257680828 /nfs/dbraw/zinc/68/08/28/257680828.db2.gz ULVGIDDRPAPFDW-KFWWJZLASA-N 0 0 338.429 0.713 10 0 ECAERN COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CNC(=O)C1 ZINC000186912459 533297097 /nfs/dbraw/zinc/29/70/97/533297097.db2.gz ULNJVBPIZCLKPY-RISCZKNCSA-N 0 0 329.356 0.504 10 0 ECAERN Cn1ncc2c1ncn(CC(=O)N[C@H]1COc3ccccc31)c2=O ZINC000058728081 296606788 /nfs/dbraw/zinc/60/67/88/296606788.db2.gz BPSMSFMLDGUHJX-LBPRGKRZSA-N 0 0 325.328 0.380 10 0 ECAERN CSCc1noc(CCC(=O)NC[C@H](C)N2CCOCC2)n1 ZINC000124281019 296653332 /nfs/dbraw/zinc/65/33/32/296653332.db2.gz NFLUMWSZVHMHJW-NSHDSACASA-N 0 0 328.438 0.702 10 0 ECAERN C[C@@H](NC(=O)[C@H]1CCC[C@H]1C(=O)N[C@@H](C)[C@H](C)CO)[C@H](C)CO ZINC000245903381 296729213 /nfs/dbraw/zinc/72/92/13/296729213.db2.gz UMCBRTCWTJMQLR-PMXAPFLYSA-N 0 0 328.453 0.669 10 0 ECAERN COC[C@@H](O)CCNC(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000133758680 164706653 /nfs/dbraw/zinc/70/66/53/164706653.db2.gz XKGGSJOLVWADJZ-NEPJUHHUSA-N 0 0 325.413 0.413 10 0 ECAERN Nc1ncc(Cl)cc1S(=O)(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000155128519 164770738 /nfs/dbraw/zinc/77/07/38/164770738.db2.gz KICBLVJPKAYTEN-SNVBAGLBSA-N 0 0 342.812 0.935 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1ccc3[nH]c(=O)[nH]c3c1)CC2 ZINC000172259532 164842109 /nfs/dbraw/zinc/84/21/09/164842109.db2.gz UTWMHLQMYLPBBO-JTQLQIEISA-N 0 0 326.360 0.755 10 0 ECAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)CNC(=O)c1ccccn1)CC2 ZINC000176752360 164896393 /nfs/dbraw/zinc/89/63/93/164896393.db2.gz NHEMCMXSKAKDOP-GFCCVEGCSA-N 0 0 342.403 0.658 10 0 ECAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)NCC(=O)N1CCOCC1 ZINC000181853173 164948463 /nfs/dbraw/zinc/94/84/63/164948463.db2.gz RZEAFKVPJSMDIJ-AWEZNQCLSA-N 0 0 349.435 0.742 10 0 ECAERN COCC(=O)NC1CN(C(=O)c2cc(=O)[nH]c3cc(F)ccc32)C1 ZINC000186315323 164981240 /nfs/dbraw/zinc/98/12/40/164981240.db2.gz BOHZNHXKWPQJHD-UHFFFAOYSA-N 0 0 333.319 0.254 10 0 ECAERN O=C(CCS(=O)(=O)C1CCCC1)N1CC(NC(=O)C2CCC2)C1 ZINC000188566131 164999186 /nfs/dbraw/zinc/99/91/86/164999186.db2.gz PMLAVPSUVRDYGF-UHFFFAOYSA-N 0 0 342.461 0.861 10 0 ECAERN C[C@H](NC(=O)N1CC(NC(=O)C2CCC2)C1)C(=O)N1CCCCC1 ZINC000188858988 165003411 /nfs/dbraw/zinc/00/34/11/165003411.db2.gz GDCKVJPZZKAFPC-LBPRGKRZSA-N 0 0 336.436 0.698 10 0 ECAERN CCO[C@@H]1C[C@](CO)(NC(=O)N[C@@H]2CCCn3ncnc32)C1(C)C ZINC000189200007 165006927 /nfs/dbraw/zinc/00/69/27/165006927.db2.gz NPIRKRGEJINMNJ-XHBSWPGZSA-N 0 0 337.424 0.978 10 0 ECAERN C[C@@H]1C(=O)NCCCN1CC(=O)N(CCC(N)=O)Cc1ccccc1 ZINC000189343562 165010152 /nfs/dbraw/zinc/01/01/52/165010152.db2.gz WKFYHIBPHAVSAF-CQSZACIVSA-N 0 0 346.431 0.101 10 0 ECAERN COc1ccccc1N1CC[C@H](NC(=O)N2CC(NC(C)=O)C2)C1 ZINC000190246834 165019088 /nfs/dbraw/zinc/01/90/88/165019088.db2.gz FJBHTZPFWXGLKR-ZDUSSCGKSA-N 0 0 332.404 0.804 10 0 ECAERN C[C@H]1C(=O)NCCCN1C(=O)NCCCc1nnc2n1CCCCC2 ZINC000191366276 165030421 /nfs/dbraw/zinc/03/04/21/165030421.db2.gz LTACMRPMRYXAII-ZDUSSCGKSA-N 0 0 348.451 0.857 10 0 ECAERN Cc1nccn1-c1ccc(CNC(=O)N2CCCNC(=O)[C@@H]2C)cn1 ZINC000191240463 165030966 /nfs/dbraw/zinc/03/09/66/165030966.db2.gz OLELPIQCEWMAGP-LBPRGKRZSA-N 0 0 342.403 0.996 10 0 ECAERN CCc1nc(NC(=O)C(=O)NC[C@@H]2CN(C)CCO2)sc1C ZINC000192969894 165050523 /nfs/dbraw/zinc/05/05/23/165050523.db2.gz ZHUORNWJNAYSHQ-SNVBAGLBSA-N 0 0 326.422 0.399 10 0 ECAERN C[C@@H](C(=O)N(C)C)S(=O)(=O)N1CCC(c2ccnn2C)CC1 ZINC000193937662 165062025 /nfs/dbraw/zinc/06/20/25/165062025.db2.gz XIUWDVHWYXNRAS-NSHDSACASA-N 0 0 328.438 0.406 10 0 ECAERN CCCCn1c(N)c(N(C)Cc2nnc(CC)n2C)c(=O)[nH]c1=O ZINC000195046359 165073930 /nfs/dbraw/zinc/07/39/30/165073930.db2.gz UICGDUCRTXXEEI-UHFFFAOYSA-N 0 0 335.412 0.246 10 0 ECAERN CC(C)CS(=O)(=O)CC(=O)N[C@H]1CCc2nnc(C(C)C)n2C1 ZINC000195279723 165078717 /nfs/dbraw/zinc/07/87/17/165078717.db2.gz RVQOLEDNZVRBMX-LBPRGKRZSA-N 0 0 342.465 0.903 10 0 ECAERN CCC[C@@H](C)NC(=O)[C@@H](C)S(=O)(=O)Cc1nnnn1C(C)C ZINC000195429283 165081441 /nfs/dbraw/zinc/08/14/41/165081441.db2.gz AFNNPLKKTUWEDN-GHMZBOCLSA-N 0 0 331.442 0.862 10 0 ECAERN CNC(=O)NCC(=O)NC[C@H](c1cccs1)N1CCO[C@@H](C)C1 ZINC000245838114 165116456 /nfs/dbraw/zinc/11/64/56/165116456.db2.gz HLIDQBWVNQZPPN-NWDGAFQWSA-N 0 0 340.449 0.555 10 0 ECAERN NC(=O)[C@@H]1COCCN1C[C@@H](O)COCc1ccc(Cl)cc1 ZINC000246078366 165123280 /nfs/dbraw/zinc/12/32/80/165123280.db2.gz HSUBJILKDVSIDG-KGLIPLIRSA-N 0 0 328.796 0.404 10 0 ECAERN CCOCCN1CCN([C@H](C)C(=O)NC[C@@H]2CCCO2)C[C@@H]1C ZINC000247215923 165155717 /nfs/dbraw/zinc/15/57/17/165155717.db2.gz QEGASQIIASLAMK-XHSDSOJGSA-N 0 0 327.469 0.713 10 0 ECAERN C[C@H](NC(=O)CN1CC[C@@H](CNc2ccccn2)C1)C(=O)N(C)C ZINC000249805001 165204327 /nfs/dbraw/zinc/20/43/27/165204327.db2.gz BBPVAIDXZPXSBW-KBPBESRZSA-N 0 0 333.436 0.408 10 0 ECAERN CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000261597733 165212397 /nfs/dbraw/zinc/21/23/97/165212397.db2.gz AHUYERQXWIEATP-AFIMGQEJSA-N 0 0 337.464 0.452 10 0 ECAERN C[C@H]1OCCN[C@@H]1C(=O)N1CCN(C(=O)NC2CCCCC2)CC1 ZINC000261951144 165267143 /nfs/dbraw/zinc/26/71/43/165267143.db2.gz OHHPVGAEFLHICD-HIFRSBDPSA-N 0 0 338.452 0.550 10 0 ECAERN CNS(=O)(=O)c1cccc([C@H](C)NC(=O)[C@H]2NCCO[C@@H]2C)c1 ZINC000261946607 165267822 /nfs/dbraw/zinc/26/78/22/165267822.db2.gz NQEVNZREWBGDGC-WDMOLILDSA-N 0 0 341.433 0.149 10 0 ECAERN CC(C)COc1cncc(N2CCO[C@@H](C[N@H+](C)CC(=O)[O-])C2)n1 ZINC000262098241 165291183 /nfs/dbraw/zinc/29/11/83/165291183.db2.gz IGDUOBLZIYCAAS-ZDUSSCGKSA-N 0 0 338.408 0.733 10 0 ECAERN NCc1nc(CN2CCN(Cc3cn4ccccc4n3)CC2)no1 ZINC000262310673 165327641 /nfs/dbraw/zinc/32/76/41/165327641.db2.gz YXYWVNPLOXMOBW-UHFFFAOYSA-N 0 0 327.392 0.494 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)Cc2cn3ccccc3n2)C1 ZINC000262712630 165375932 /nfs/dbraw/zinc/37/59/32/165375932.db2.gz MAMPVCTZNKJNMY-UHFFFAOYSA-N 0 0 330.388 0.931 10 0 ECAERN CCCC(=O)NCC(=O)NC1CC([N@@H+](CC(=O)[O-])CC2CC2)C1 ZINC000262711861 165376356 /nfs/dbraw/zinc/37/63/56/165376356.db2.gz LVROTDPUTNRWKG-UHFFFAOYSA-N 0 0 325.409 0.347 10 0 ECAERN Cc1nc(C)n(C[C@@H]2CN(C(=O)[C@@H]3CC(F)(F)CN3)CCO2)n1 ZINC000262734038 165379595 /nfs/dbraw/zinc/37/95/95/165379595.db2.gz BXWVZFUAXZLKIM-RYUDHWBXSA-N 0 0 329.351 0.120 10 0 ECAERN CCCN(C)S(=O)(=O)N1CCN([C@H](C)c2nc(C)no2)CC1 ZINC000120500686 221596094 /nfs/dbraw/zinc/59/60/94/221596094.db2.gz ZACAOCZXCLSUTB-LLVKDONJSA-N 0 0 331.442 0.643 10 0 ECAERN CC[C@H](C)[C@H](O)CNC(=O)N[C@@H]1CCCn2nc(COC)nc21 ZINC000122557589 222111846 /nfs/dbraw/zinc/11/18/46/222111846.db2.gz AUTZBVLMQZNCCN-QJPTWQEYSA-N 0 0 325.413 0.966 10 0 ECAERN CC[C@@H]1CN(S(=O)(=O)CC[C@H]2CCCO2)CCN1CCOC ZINC000245976349 545938056 /nfs/dbraw/zinc/93/80/56/545938056.db2.gz BYDRNQOOOILFMQ-HUUCEWRRSA-N 0 0 334.482 0.928 10 0 ECAERN Cn1nccc1[C@H]1[C@H](NS(=O)(=O)Cc2ccccc2)CC(=O)N1C ZINC000284397169 264208147 /nfs/dbraw/zinc/20/81/47/264208147.db2.gz AWFRGZIEOUCWRZ-CZUORRHYSA-N 0 0 348.428 0.812 10 0 ECAERN CO[C@@H]1C[C@@H](CO)N(CC(=O)NCCOc2c(C)cccc2C)C1 ZINC000284600588 264232999 /nfs/dbraw/zinc/23/29/99/264232999.db2.gz LJUCEMGAWOCJJB-JKSUJKDBSA-N 0 0 336.432 0.880 10 0 ECAERN O=c1cc(N2CC[C@@](O)(c3cn[nH]n3)C2)cnn1Cc1ccccc1 ZINC000284600014 264233043 /nfs/dbraw/zinc/23/30/43/264233043.db2.gz QWHQMDVQTJOXKU-KRWDZBQOSA-N 0 0 338.371 0.508 10 0 ECAERN COC[C@@H]1CN(S(=O)(=O)c2ncn(C)c2Cl)CC(C)(C)O1 ZINC000285180448 264288340 /nfs/dbraw/zinc/28/83/40/264288340.db2.gz URNYYJLWAKKGLI-VIFPVBQESA-N 0 0 337.829 0.888 10 0 ECAERN O=C1C[C@H](N2CC[C@H](N3CCOCC3)C2)C(=O)N1Cc1ccccc1 ZINC000174005943 275020541 /nfs/dbraw/zinc/02/05/41/275020541.db2.gz VQEYINDDTQVJQH-IRXDYDNUSA-N 0 0 343.427 0.721 10 0 ECAERN O=S(=O)(NCCN1CCC[C@H](n2cncn2)C1)c1ccccc1 ZINC000171620117 275031863 /nfs/dbraw/zinc/03/18/63/275031863.db2.gz GIFKKRRDXDXMRY-AWEZNQCLSA-N 0 0 335.433 0.894 10 0 ECAERN CCO[C@@H]1C[C@](CO)(NC(=O)N[C@H]2CCCn3ncnc32)C1(C)C ZINC000249113874 276483232 /nfs/dbraw/zinc/48/32/32/276483232.db2.gz NPIRKRGEJINMNJ-HWWQOWPSSA-N 0 0 337.424 0.978 10 0 ECAERN CC(=O)O[C@]1(C)C[C@H](C)C(=O)[C@H]([C@@H](O)CC2CC(=O)NC(=O)C2)C1 ZINC000015120850 277093949 /nfs/dbraw/zinc/09/39/49/277093949.db2.gz UFDHNJJHPSGMFX-DKYWSHINSA-N 0 0 339.388 0.727 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)N[C@@H](CO)C2CCCC2)C1 ZINC000263492979 279059113 /nfs/dbraw/zinc/05/91/13/279059113.db2.gz RUGGNXHXICUEFS-RUXDESIVSA-N 0 0 327.425 0.774 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)C(=O)Nc2ccc(F)c(C)c2)CC1 ZINC000189466272 437601939 /nfs/dbraw/zinc/60/19/39/437601939.db2.gz VJAHFQLUTUKXCZ-AWEZNQCLSA-N 0 0 337.395 0.988 10 0 ECAERN CC(=O)NC1CN(C(=O)NCc2ccc(-n3ccnc3C)nc2)C1 ZINC000189936975 437613674 /nfs/dbraw/zinc/61/36/74/437613674.db2.gz FOXGLLZWOASZJD-UHFFFAOYSA-N 0 0 328.376 0.606 10 0 ECAERN CN1CCN(C(=O)CN2CCCC[C@@H]2c2nnc3n2CCCC3)CC1 ZINC000093169934 290011477 /nfs/dbraw/zinc/01/14/77/290011477.db2.gz BULFWMGIBVWFGQ-OAHLLOKOSA-N 0 0 346.479 0.915 10 0 ECAERN CN1CCN(C(=O)Cn2cc(NC(=O)[C@H]3C[C@@H]3C3CC3)cn2)CC1 ZINC000333092685 297108712 /nfs/dbraw/zinc/10/87/12/297108712.db2.gz ZULAVHWJKPPKDU-CABCVRRESA-N 0 0 331.420 0.642 10 0 ECAERN Cc1nc2c(nccc2C(=O)NC[C@](C)(O)CN2CCOCC2)[nH]1 ZINC000333098878 297109631 /nfs/dbraw/zinc/10/96/31/297109631.db2.gz CJIQLQMYBOXDTL-INIZCTEOSA-N 0 0 333.392 0.079 10 0 ECAERN CCn1cc([C@H]2OCC[C@@H]2NS(=O)(=O)[C@H]2CCO[C@@H]2C)cn1 ZINC000333115153 297110997 /nfs/dbraw/zinc/11/09/97/297110997.db2.gz TWTGIZYPWDEWKQ-VZZFWQQMSA-N 0 0 329.422 0.830 10 0 ECAERN Cn1nnc2cc(C(=O)N[C@H]3CC[C@@H](C(=O)N4CCCC4)C3)cnc21 ZINC000333228198 297119793 /nfs/dbraw/zinc/11/97/93/297119793.db2.gz GEIYYYWAAQQKHI-YPMHNXCESA-N 0 0 342.403 0.884 10 0 ECAERN CN1CCC[C@@H]1C(=O)N1CCNC(=O)[C@@H]1Cc1nc2ccccc2o1 ZINC000333233762 297120064 /nfs/dbraw/zinc/12/00/64/297120064.db2.gz HEPFSLOYAYWZCV-KGLIPLIRSA-N 0 0 342.399 0.792 10 0 ECAERN Cc1noc([C@@H]2CC[C@H](CNS(=O)(=O)[C@@H]3CCO[C@H]3C)O2)n1 ZINC000333564435 297142343 /nfs/dbraw/zinc/14/23/43/297142343.db2.gz SAHOTYZFEIGDJU-ZDDJMSTPSA-N 0 0 331.394 0.695 10 0 ECAERN C[C@H](C(=O)N(C)CC(=O)N1CCC[C@@H](c2nnc[nH]2)C1)n1cccn1 ZINC000333599260 297144366 /nfs/dbraw/zinc/14/43/66/297144366.db2.gz YHBNJZVNZRCWSG-CHWSQXEVSA-N 0 0 345.407 0.427 10 0 ECAERN CCn1cc([C@H]2OCC[C@@H]2NC(=O)N2C[C@H](F)C[C@@H]2CO)cn1 ZINC000333708467 297148725 /nfs/dbraw/zinc/14/87/25/297148725.db2.gz LRGXRPVSLLPBNR-YIYPIFLZSA-N 0 0 326.372 0.847 10 0 ECAERN C[C@@H]1C[C@@H](O)CN(C(=O)N[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)C1 ZINC000334019500 297158838 /nfs/dbraw/zinc/15/88/38/297158838.db2.gz BQLDMKBJCILHQA-JHJVBQTASA-N 0 0 345.465 0.355 10 0 ECAERN COCc1ccccc1CS(=O)(=O)N[C@@H]1CCC(=O)N[C@@H]1C ZINC000344830625 298072987 /nfs/dbraw/zinc/07/29/87/298072987.db2.gz VBTAIXKCYVQPGP-BXUZGUMPSA-N 0 0 326.418 0.920 10 0 ECAERN O=C([O-])CCNC(=O)[C@@H]1CCCN(C(=O)CCC2CC[NH2+]CC2)C1 ZINC000003805545 435977374 /nfs/dbraw/zinc/97/73/74/435977374.db2.gz QOZKFVLJGZGBOI-CQSZACIVSA-N 0 0 339.436 0.596 10 0 ECAERN O=C(O[C@H]1C[C@H](n2ccc(=O)[nH]c2=O)O[C@@H]1CO)c1ccccc1 ZINC000006095833 435997954 /nfs/dbraw/zinc/99/79/54/435997954.db2.gz BAVPJAHZOFCPIE-OUCADQQQSA-N 0 0 332.312 0.042 10 0 ECAERN C[C@@H](NC(=O)C(=O)Nc1cccnc1-n1cccn1)[C@@H]1CCCO1 ZINC000071066285 436001052 /nfs/dbraw/zinc/00/10/52/436001052.db2.gz VYZDMVCQZATZNZ-YPMHNXCESA-N 0 0 329.360 0.890 10 0 ECAERN Cc1cc2c(c(=O)o1)[C@]1(c3ccccc3NC1=O)C([N+](=O)[O-])=C(N)O2 ZINC000020356914 436111183 /nfs/dbraw/zinc/11/11/83/436111183.db2.gz DXDCWHDSCSVKFJ-MRXNPFEDSA-N 0 0 341.279 0.983 10 0 ECAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCc1cn(C)nc1-c1ccccc1 ZINC000372758434 301026924 /nfs/dbraw/zinc/02/69/24/301026924.db2.gz QSYMMZROXFXELF-HZPDHXFCSA-N 0 0 342.399 0.685 10 0 ECAERN Cc1cc(CC(=O)N2CCC[C@](O)(c3cn(C(C)C)nn3)C2)[nH]n1 ZINC000375420315 301173945 /nfs/dbraw/zinc/17/39/45/301173945.db2.gz SPLIUYKGDJSVTD-MRXNPFEDSA-N 0 0 332.408 0.943 10 0 ECAERN C[C@H]1COC[C@H](C)N1CC(=O)N1CCC(C(=O)N2CCCC2)CC1 ZINC000077365049 436234426 /nfs/dbraw/zinc/23/44/26/436234426.db2.gz QKAKMMCHIGVRFF-GJZGRUSLSA-N 0 0 337.464 0.957 10 0 ECAERN C[C@@H](CNC(=O)C(=O)Nc1ccc2n[nH]cc2c1)N1CCOCC1 ZINC000076238688 436197783 /nfs/dbraw/zinc/19/77/83/436197783.db2.gz XCULFBHQBAAZRA-NSHDSACASA-N 0 0 331.376 0.338 10 0 ECAERN Cc1nc2cc(CNC(=O)C3CCN(CC(N)=O)CC3)ccc2n1C ZINC000091519033 436453188 /nfs/dbraw/zinc/45/31/88/436453188.db2.gz BJTPALYMPAWWFR-UHFFFAOYSA-N 0 0 343.431 0.695 10 0 ECAERN NC(=O)CN1CCC(C(=O)N2CCCC[C@@H]2CCn2cccn2)CC1 ZINC000091625809 436454767 /nfs/dbraw/zinc/45/47/67/436454767.db2.gz SBBXFRFBYDAGSW-MRXNPFEDSA-N 0 0 347.463 0.852 10 0 ECAERN NC(=O)[C@@H]1COCCN1C(=O)CCc1ccc(OC(F)F)cc1 ZINC000091779216 436458679 /nfs/dbraw/zinc/45/86/79/436458679.db2.gz HPCZTFMHQDKQCQ-LBPRGKRZSA-N 0 0 328.315 0.933 10 0 ECAERN NC(=O)[C@H]1COCCN1C(=O)Cc1csc(-c2cccnc2)n1 ZINC000091785598 436460580 /nfs/dbraw/zinc/46/05/80/436460580.db2.gz BCWXPDMERYLWDS-GFCCVEGCSA-N 0 0 332.385 0.460 10 0 ECAERN NC(=O)[C@H]1COCCN1CC(=O)Nc1ccnn1Cc1cccs1 ZINC000092230499 436469042 /nfs/dbraw/zinc/46/90/42/436469042.db2.gz LGWYHDRWYJVNPB-GFCCVEGCSA-N 0 0 349.416 0.118 10 0 ECAERN Cc1nccn1-c1cncc(N[C@H]2CCCN(S(C)(=O)=O)C2)n1 ZINC000092891927 436478334 /nfs/dbraw/zinc/47/83/34/436478334.db2.gz DIXNHUDBJWNOSD-LBPRGKRZSA-N 0 0 336.421 0.807 10 0 ECAERN Cc1nnnn1Cc1cc(Cn2nnnc2C)c2c(c1)CCCO2 ZINC000097227802 436542922 /nfs/dbraw/zinc/54/29/22/436542922.db2.gz QXGVAOPRGDBJEW-UHFFFAOYSA-N 0 0 326.364 0.698 10 0 ECAERN CCOC(=O)[C@@H]1C(=O)CC[C@@H](C(=O)OC)N1C(=O)c1ccccc1 ZINC000102199901 436551634 /nfs/dbraw/zinc/55/16/34/436551634.db2.gz XIULBHYZFMPXCG-JSGCOSHPSA-N 0 0 333.340 0.965 10 0 ECAERN CN(c1cccnn1)C1CCN(CC(=O)NC(=O)NC2CC2)CC1 ZINC000105806033 436577332 /nfs/dbraw/zinc/57/73/32/436577332.db2.gz NYUMZKUVDYWZIV-UHFFFAOYSA-N 0 0 332.408 0.365 10 0 ECAERN O=C(CN1CCC[C@H](n2cncn2)C1)NCCCN1CCCC1=O ZINC000105898486 436586100 /nfs/dbraw/zinc/58/61/00/436586100.db2.gz OJPIGLOQRPYLNA-AWEZNQCLSA-N 0 0 334.424 0.044 10 0 ECAERN COc1ccc([C@H](C)NS(=O)(=O)N2CCOCC2)cc1OC ZINC000056093388 436587126 /nfs/dbraw/zinc/58/71/26/436587126.db2.gz IVFDCVLFVVKTQS-NSHDSACASA-N 0 0 330.406 0.931 10 0 ECAERN O=C(CCN1C(=O)COc2ccccc21)N[C@H]1CCc2ncnn2C1 ZINC000112663136 436633637 /nfs/dbraw/zinc/63/36/37/436633637.db2.gz SEXMBJWSVPTRHI-LBPRGKRZSA-N 0 0 341.371 0.525 10 0 ECAERN CN(Cc1ccccc1)C(=O)CNC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000112744999 436633733 /nfs/dbraw/zinc/63/37/33/436633733.db2.gz AJTMFTMHIGHSLH-CQSZACIVSA-N 0 0 342.403 0.551 10 0 ECAERN O=S(=O)(N[C@H]1CCc2ncnn2C1)c1cc(F)c(F)cc1F ZINC000113298733 436636976 /nfs/dbraw/zinc/63/69/76/436636976.db2.gz XGDHROUJHLUXTF-ZETCQYMHSA-N 0 0 332.307 0.989 10 0 ECAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)CCN3C(=O)CCC3=O)C2)n1 ZINC000116774932 436651128 /nfs/dbraw/zinc/65/11/28/436651128.db2.gz ZVPHSCMDJZNEIB-AWEZNQCLSA-N 0 0 347.419 0.673 10 0 ECAERN COc1cccc2nnc(NC(=O)CCC(=O)NC3CCCC3)n21 ZINC000065314446 436656022 /nfs/dbraw/zinc/65/60/22/436656022.db2.gz WVGUOKXMMFFMEY-UHFFFAOYSA-N 0 0 331.376 1.515 10 0 ECAERN CC(=O)N1CSC[C@H]1C(=O)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000150711934 436687316 /nfs/dbraw/zinc/68/73/16/436687316.db2.gz RTIAMCNGLAYAOW-RYUDHWBXSA-N 0 0 337.449 0.754 10 0 ECAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)[C@H]1CCCN(C(N)=O)C1)CC2 ZINC000150713631 436687626 /nfs/dbraw/zinc/68/76/26/436687626.db2.gz AGBLOLKQYNWZJY-NWDGAFQWSA-N 0 0 334.424 0.623 10 0 ECAERN CCc1n[nH]c(=O)c(CNC(=O)[C@@H](C)NC(=O)c2ccco2)c1CC ZINC000120999740 436704917 /nfs/dbraw/zinc/70/49/17/436704917.db2.gz UTMCJBTVMDYGHM-SNVBAGLBSA-N 0 0 346.387 0.922 10 0 ECAERN C[C@@H](NC(=O)c1ccoc1)C(=O)N[C@H]1CCCN(c2cccnn2)C1 ZINC000118668604 436661337 /nfs/dbraw/zinc/66/13/37/436661337.db2.gz QAXIBSQAHSRFEK-OCCSQVGLSA-N 0 0 343.387 0.973 10 0 ECAERN CN1CCO[C@H](CNC(=O)C(=O)Nc2cccc3cnccc32)C1 ZINC000118115481 436662103 /nfs/dbraw/zinc/66/21/03/436662103.db2.gz XEFOJIUUNYPSDN-CYBMUJFWSA-N 0 0 328.372 0.620 10 0 ECAERN C[C@@H]1CN(CCN(C)C(=O)NCC(=O)NCC2CC2)C[C@H](C)O1 ZINC000195070910 436678157 /nfs/dbraw/zinc/67/81/57/436678157.db2.gz JJFQQTOVJITXTA-BETUJISGSA-N 0 0 326.441 0.263 10 0 ECAERN O=C(CN1CC[C@@H](Oc2cccnc2)C1)NCC(=O)N1CCCC1 ZINC000152566881 436735266 /nfs/dbraw/zinc/73/52/66/436735266.db2.gz XQJFJKJFAQEWOM-OAHLLOKOSA-N 0 0 332.404 0.273 10 0 ECAERN Cc1nc(C(=O)N[C@H]2CCc3nc(C(C)C)nn3C2)c(=O)[nH]c1C ZINC000153964205 436767807 /nfs/dbraw/zinc/76/78/07/436767807.db2.gz WRHBWQKKUUNFGU-NSHDSACASA-N 0 0 330.392 0.846 10 0 ECAERN COc1c(CNC(=O)N2CCO[C@H](Cn3cccn3)C2)c(C)nn1C ZINC000153704248 436762334 /nfs/dbraw/zinc/76/23/34/436762334.db2.gz JCOUQPARRKVOQS-ZDUSSCGKSA-N 0 0 348.407 0.544 10 0 ECAERN COC(=O)c1cc(S(=O)(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)cn1C ZINC000245494136 436764698 /nfs/dbraw/zinc/76/46/98/436764698.db2.gz MXCOYPXQHDXBBW-WCQYABFASA-N 0 0 343.449 0.819 10 0 ECAERN Cc1oc2[nH]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)NC[C@@H](C)O ZINC000128883780 436821540 /nfs/dbraw/zinc/82/15/40/436821540.db2.gz GQXGQDZDWREKIF-SECBINFHSA-N 0 0 343.339 0.691 10 0 ECAERN COCCOCCS(=O)(=O)N1CCC(Cn2cccn2)CC1 ZINC000154166978 436772775 /nfs/dbraw/zinc/77/27/75/436772775.db2.gz BUOPYWAXRHARBU-UHFFFAOYSA-N 0 0 331.438 0.588 10 0 ECAERN Cc1cccc(OCCCC(=O)NC[C@H](O)CN2CCOCC2)c1 ZINC000154129821 436773221 /nfs/dbraw/zinc/77/32/21/436773221.db2.gz DIJCDVZVEAYJLG-INIZCTEOSA-N 0 0 336.432 0.963 10 0 ECAERN CCOCCN1CCN(C(=O)[C@H]2CCN(C(=O)CC)C2)C[C@@H]1C ZINC000246395569 436778891 /nfs/dbraw/zinc/77/88/91/436778891.db2.gz JMMQPGCMRFJAFA-GJZGRUSLSA-N 0 0 325.453 0.814 10 0 ECAERN COCCN1CCN(C(=O)N[C@H]2CC(=O)N(C(C)(C)C)C2)C[C@@H]1C ZINC000246452642 436780243 /nfs/dbraw/zinc/78/02/43/436780243.db2.gz FMOQEEOBBUUOHV-KBPBESRZSA-N 0 0 340.468 0.748 10 0 ECAERN Cc1ccc(N2CCCN(C[C@H](C)CS(C)(=O)=O)CC2)nn1 ZINC000246531545 436781658 /nfs/dbraw/zinc/78/16/58/436781658.db2.gz LDYNGOPGDAJTDR-ZDUSSCGKSA-N 0 0 326.466 0.978 10 0 ECAERN CC(C)CS(=O)(=O)CC(=O)N1CCC[C@H](Cn2cncn2)C1 ZINC000127290598 436800988 /nfs/dbraw/zinc/80/09/88/436800988.db2.gz ZRYGVMSRQJYFAP-ZDUSSCGKSA-N 0 0 328.438 0.588 10 0 ECAERN CCn1ncc(C(=O)N[C@@H]2CN(c3ccncn3)C[C@H]2CO)c1C ZINC000257193317 436859519 /nfs/dbraw/zinc/85/95/19/436859519.db2.gz YAIGBFPJPBWUCB-GXTWGEPZSA-N 0 0 330.392 0.229 10 0 ECAERN O=C(NC[C@H](O)CN1CCOCC1)c1ccc(Br)nc1 ZINC000132940272 436871736 /nfs/dbraw/zinc/87/17/36/436871736.db2.gz UHLNZHFRVPZCEO-NSHDSACASA-N 0 0 344.209 0.267 10 0 ECAERN CC(C)CS(=O)(=O)CC(=O)N[C@H](C)c1nnc2n1CCCC2 ZINC000135371105 436913625 /nfs/dbraw/zinc/91/36/25/436913625.db2.gz DWSGEPPDGGXGOE-LLVKDONJSA-N 0 0 328.438 0.862 10 0 ECAERN [NH3+][C@H](C(=O)Nc1nc(CN2CCOCC2)cs1)C1CCOCC1 ZINC000261737166 436884335 /nfs/dbraw/zinc/88/43/35/436884335.db2.gz KFFDSRZDMWETSB-ZDUSSCGKSA-N 0 0 340.449 0.668 10 0 ECAERN Cc1cc(C)n2nc(CC(=O)Nc3nnc4n3CCCC4)nc2n1 ZINC000162669815 436909505 /nfs/dbraw/zinc/90/95/05/436909505.db2.gz JFLWNMMAZGSHGA-UHFFFAOYSA-N 0 0 326.364 0.850 10 0 ECAERN CN1CCO[C@H](CNC(=O)CNC(=O)c2cccc(Cl)c2)C1 ZINC000171288820 436976059 /nfs/dbraw/zinc/97/60/59/436976059.db2.gz HYUALFWVTGWTBS-CYBMUJFWSA-N 0 0 325.796 0.517 10 0 ECAERN Cn1cc([C@@H]2CCCN2S(=O)(=O)c2cc(C(N)=O)n(C)c2)cn1 ZINC000171432449 436977877 /nfs/dbraw/zinc/97/78/77/436977877.db2.gz HGAXKXRCIXKGAK-LBPRGKRZSA-N 0 0 337.405 0.383 10 0 ECAERN CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1cc(F)c(F)cc1F ZINC000166874101 436939430 /nfs/dbraw/zinc/93/94/30/436939430.db2.gz SMIOPKKWSITBTK-LLVKDONJSA-N 0 0 329.278 0.779 10 0 ECAERN O=C(NCCNS(=O)(=O)c1ccccc1)[C@@H]1CC(F)(F)CN1 ZINC000262970521 436945929 /nfs/dbraw/zinc/94/59/29/436945929.db2.gz LSCXDJZVBZANHR-NSHDSACASA-N 0 0 333.360 0.078 10 0 ECAERN O=C(NC1CCN(S(=O)(=O)C2CC2)CC1)[C@@H]1CC(F)(F)CN1 ZINC000263208342 436955403 /nfs/dbraw/zinc/95/54/03/436955403.db2.gz JZQWVZKHXAEVRB-NSHDSACASA-N 0 0 337.392 0.056 10 0 ECAERN CS(=O)(=O)c1ccccc1C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000172744428 437028234 /nfs/dbraw/zinc/02/82/34/437028234.db2.gz JWVJLQMQZTXKSQ-ZDUSSCGKSA-N 0 0 338.429 0.637 10 0 ECAERN COCCOC[C@H]1CCN(c2cc(N3CCC[C@@H]3CO)ncn2)C1 ZINC000172783247 437029592 /nfs/dbraw/zinc/02/95/92/437029592.db2.gz FDICOXYZADRIAA-LSDHHAIUSA-N 0 0 336.436 0.927 10 0 ECAERN C[C@@H](C(=O)NC[C@@H]1CN(C)CCO1)n1nnc(-c2ccccc2)n1 ZINC000172922463 437033756 /nfs/dbraw/zinc/03/37/56/437033756.db2.gz LCXRMKZRYAEDEU-GXTWGEPZSA-N 0 0 330.392 0.348 10 0 ECAERN CN1CCO[C@@H](CNC(=O)NCc2ccccc2N2CCOCC2)C1 ZINC000171667538 436985027 /nfs/dbraw/zinc/98/50/27/436985027.db2.gz XCWKYOBHANHXEB-INIZCTEOSA-N 0 0 348.447 0.653 10 0 ECAERN CCOC(=O)CN(C)C(=O)CN1CCC[C@H](Cc2noc(C)n2)C1 ZINC000171923078 436991663 /nfs/dbraw/zinc/99/16/63/436991663.db2.gz DNVWHIMBZQZCHE-CYBMUJFWSA-N 0 0 338.408 0.654 10 0 ECAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)NCCNS(C)(=O)=O ZINC000172067677 436997099 /nfs/dbraw/zinc/99/70/99/436997099.db2.gz NHQOEFFCPOWVOG-GFCCVEGCSA-N 0 0 343.453 0.433 10 0 ECAERN O=C(CCN1CCCS1(=O)=O)N1CCCC[C@H]1c1cn[nH]c1 ZINC000172122441 436999107 /nfs/dbraw/zinc/99/91/07/436999107.db2.gz XDOYHUXHTUPINK-ZDUSSCGKSA-N 0 0 326.422 0.889 10 0 ECAERN COCCN1CCN(C(=O)NCCNC(=O)c2ccco2)C[C@@H]1C ZINC000172324218 437010910 /nfs/dbraw/zinc/01/09/10/437010910.db2.gz WPLOQLLYUPMTGZ-ZDUSSCGKSA-N 0 0 338.408 0.372 10 0 ECAERN CCOCCCNC(=O)[C@@H](C)N1CCO[C@H](c2nnc(C)[nH]2)C1 ZINC000173354806 437047095 /nfs/dbraw/zinc/04/70/95/437047095.db2.gz AXGVHVNVFYJQQZ-YPMHNXCESA-N 0 0 325.413 0.418 10 0 ECAERN CC(C)c1nc([C@H]2CCCN2C(=O)CN2CCCS2(=O)=O)no1 ZINC000173436998 437051022 /nfs/dbraw/zinc/05/10/22/437051022.db2.gz KWWGRSQLRVAESB-LLVKDONJSA-N 0 0 342.421 0.892 10 0 ECAERN Cc1nnc([C@@H]2CN(C(=O)c3cnn4ccc(C)nc34)CCO2)[nH]1 ZINC000173529690 437054786 /nfs/dbraw/zinc/05/47/86/437054786.db2.gz ZQSQNAWJHOHZEZ-LBPRGKRZSA-N 0 0 327.348 0.678 10 0 ECAERN Cc1nnc([C@@H]2CN(S(=O)(=O)N3CCC[C@H](C)C3)CCO2)[nH]1 ZINC000173736893 437061323 /nfs/dbraw/zinc/06/13/23/437061323.db2.gz JLGFCKDCPCZLSF-JQWIXIFHSA-N 0 0 329.426 0.463 10 0 ECAERN COC(=O)CNC(=O)CCNC1(c2noc(C3CC3)n2)CCCC1 ZINC000173710106 437062311 /nfs/dbraw/zinc/06/23/11/437062311.db2.gz UZORJJOLIKOJAK-UHFFFAOYSA-N 0 0 336.392 0.985 10 0 ECAERN CC(C)CC(=O)NCCC(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000173820060 437066333 /nfs/dbraw/zinc/06/63/33/437066333.db2.gz BAXHHPXEEUWBIC-CABCVRRESA-N 0 0 325.453 0.718 10 0 ECAERN O=c1[nH]c2ccc(S(=O)(=O)N3CCC[C@@H](n4cncn4)C3)cc2[nH]1 ZINC000173984730 437071472 /nfs/dbraw/zinc/07/14/72/437071472.db2.gz KGNGNDVQQJSCBR-SNVBAGLBSA-N 0 0 348.388 0.474 10 0 ECAERN CNc1cc(N2CCC[C@H]2CNC(=O)NCc2cnn(C)c2)ncn1 ZINC000174273251 437078053 /nfs/dbraw/zinc/07/80/53/437078053.db2.gz OWVZUQPSULDXOG-ZDUSSCGKSA-N 0 0 344.423 0.720 10 0 ECAERN Cc1cc(N2CCC[C@@H](NC(=O)NCCn3cccn3)C2=O)n(C)n1 ZINC000174952863 437092972 /nfs/dbraw/zinc/09/29/72/437092972.db2.gz XJRAEDXJHNNBIM-CYBMUJFWSA-N 0 0 345.407 0.420 10 0 ECAERN NC(=O)[C@@H]1COCCN1C(=O)c1cccc(Br)c1F ZINC000192200098 303307516 /nfs/dbraw/zinc/30/75/16/303307516.db2.gz MBJBQWCDEUBELT-VIFPVBQESA-N 0 0 331.141 0.915 10 0 ECAERN CC(C)C(=O)NCCNC(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000175627179 437111076 /nfs/dbraw/zinc/11/10/76/437111076.db2.gz KMDAWMUWKSQHFU-UONOGXRCSA-N 0 0 326.441 0.121 10 0 ECAERN CC(C)OCCN1CCN(C(=O)N[C@H]2CCCn3ncnc32)CC1 ZINC000176599453 437151347 /nfs/dbraw/zinc/15/13/47/437151347.db2.gz AWOUVGGSONSGCX-AWEZNQCLSA-N 0 0 336.440 0.865 10 0 ECAERN Cc1cc(NCCS(=O)(=O)N2CCOCC2)nc(C(C)C)n1 ZINC000301086756 437113139 /nfs/dbraw/zinc/11/31/39/437113139.db2.gz GXDJZGULHNAOHQ-UHFFFAOYSA-N 0 0 328.438 0.982 10 0 ECAERN COCc1nsc(N2CCN(c3cc(C)nc4ncnn43)CC2)n1 ZINC000301567918 437124990 /nfs/dbraw/zinc/12/49/90/437124990.db2.gz WVPIGENMFLEFDU-UHFFFAOYSA-N 0 0 346.420 0.757 10 0 ECAERN Cc1cc(NCCNc2nnc(Cl)cc2C(N)=O)n2ncnc2n1 ZINC000301547078 437126866 /nfs/dbraw/zinc/12/68/66/437126866.db2.gz PHOVTAKBPSKBIM-UHFFFAOYSA-N 0 0 347.770 0.499 10 0 ECAERN CS(=O)(=O)NCCNC(=O)N1CCCC[C@H]1c1nccs1 ZINC000176192440 437133037 /nfs/dbraw/zinc/13/30/37/437133037.db2.gz JEZOYFCWNMXOSQ-JTQLQIEISA-N 0 0 332.451 0.929 10 0 ECAERN Cc1cc(N2CCC[C@@H](NC(=O)NC3(CO)CCCC3)C2=O)n(C)n1 ZINC000177609666 437191751 /nfs/dbraw/zinc/19/17/51/437191751.db2.gz QXOIBBKVZXTSPJ-CYBMUJFWSA-N 0 0 349.435 0.828 10 0 ECAERN Cc1ccccc1-c1noc([C@H](C)S(=O)(=O)C[C@H](O)CO)n1 ZINC000177670698 437194114 /nfs/dbraw/zinc/19/41/14/437194114.db2.gz OQFNQTYAYIYZRN-WDEREUQCSA-N 0 0 326.374 0.874 10 0 ECAERN COCCn1ccc(NC(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)n1 ZINC000177822318 437201254 /nfs/dbraw/zinc/20/12/54/437201254.db2.gz HMESMOOEIPVYJY-UONOGXRCSA-N 0 0 337.424 0.714 10 0 ECAERN Cn1cc([C@@H]2CCCN2C(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)cn1 ZINC000178203317 437208842 /nfs/dbraw/zinc/20/88/42/437208842.db2.gz ZCOJDTRIODEOJN-FZMZJTMJSA-N 0 0 328.376 0.860 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)[C@H]1CC(=O)N(c3cn[nH]c3)C1)CC2 ZINC000178242083 437209202 /nfs/dbraw/zinc/20/92/02/437209202.db2.gz DOBPIPQPTBVUGW-WDEREUQCSA-N 0 0 343.391 0.048 10 0 ECAERN NC(=O)[C@]1(O)CCCN(C(=O)c2cccc(Br)c2)C1 ZINC000311883275 437170295 /nfs/dbraw/zinc/17/02/95/437170295.db2.gz WLEIYWBQZQSCCX-ZDUSSCGKSA-N 0 0 327.178 0.902 10 0 ECAERN CC(C)(C)OC(=O)N1CC[C@H](C(=O)NC[C@H]2CN3CCN2CC3)C1 ZINC000178647266 437223241 /nfs/dbraw/zinc/22/32/41/437223241.db2.gz YKRGKVXYDMSYSB-KBPBESRZSA-N 0 0 338.452 0.359 10 0 ECAERN CNC(=O)c1ccc(N2CCN([C@H](C)c3nc(C)no3)CC2)nn1 ZINC000266804753 437246763 /nfs/dbraw/zinc/24/67/63/437246763.db2.gz DAAGCSWJEBRLGL-SNVBAGLBSA-N 0 0 331.380 0.411 10 0 ECAERN CNC(=O)[C@H](NC(=O)C(=O)Nc1cc(F)c(F)c(F)c1)C(C)C ZINC000179078707 437250610 /nfs/dbraw/zinc/25/06/10/437250610.db2.gz ICFJGJKATDJOHV-LLVKDONJSA-N 0 0 331.294 0.929 10 0 ECAERN CN1C(=O)C[C@H](C(=O)NCC(=O)NCC2CC2)[C@H]1c1ccc(F)cc1 ZINC000180897990 437306362 /nfs/dbraw/zinc/30/63/62/437306362.db2.gz HMDZUHYGZOMWTP-WMLDXEAASA-N 0 0 347.390 0.988 10 0 ECAERN Cc1cc(C(=O)N2CCOC[C@@H]2C(N)=O)nn1-c1ccc(C)cc1 ZINC000181026115 437308161 /nfs/dbraw/zinc/30/81/61/437308161.db2.gz GUWMPYJXQSWQCH-OAHLLOKOSA-N 0 0 328.372 0.815 10 0 ECAERN NC(=O)[C@H]1COCCN1S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000179687403 437272037 /nfs/dbraw/zinc/27/20/37/437272037.db2.gz NOMZJQJQVHZHAV-SNVBAGLBSA-N 0 0 339.200 0.868 10 0 ECAERN Cc1cc2ncn(C[C@@H](O)CN3CCOC[C@@H]3C(N)=O)c2cc1C ZINC000179732240 437274444 /nfs/dbraw/zinc/27/44/44/437274444.db2.gz XIQSAQMRFOZGEU-XJKSGUPXSA-N 0 0 332.404 0.200 10 0 ECAERN C[C@@H]1CN(C(=O)C(=O)Nc2ccc(F)cc2)C[C@H]1N1CCOCC1 ZINC000180254057 437282723 /nfs/dbraw/zinc/28/27/23/437282723.db2.gz GDQJJTDZSLMTEE-IUODEOHRSA-N 0 0 335.379 0.943 10 0 ECAERN NC(=O)[C@H]1COCCN1C(=O)Cc1csc(Cc2ccccc2)n1 ZINC000180275036 437285970 /nfs/dbraw/zinc/28/59/70/437285970.db2.gz SVYWIYBFQPYAFL-CQSZACIVSA-N 0 0 345.424 0.989 10 0 ECAERN CN(C(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1ccccc1)c1nccn1C ZINC000328981405 437296259 /nfs/dbraw/zinc/29/62/59/437296259.db2.gz DQUWCIDVKNLGPO-CABCVRRESA-N 0 0 328.372 0.981 10 0 ECAERN Cc1noc([C@@H]2COCCN2CC(=O)NCCOc2ccccc2)n1 ZINC000185064328 437424344 /nfs/dbraw/zinc/42/43/44/437424344.db2.gz LNMATJVKBUXUQX-HNNXBMFYSA-N 0 0 346.387 0.947 10 0 ECAERN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN1C[C@@H](O)C[C@@H]1CO ZINC000185151432 437426078 /nfs/dbraw/zinc/42/60/78/437426078.db2.gz BQIGNOVPAVQCQU-CVEARBPZSA-N 0 0 344.415 0.855 10 0 ECAERN Cc1cccc(N2CCN(C(=O)CN3C[C@H](O)C[C@@H]3CO)CC2)c1 ZINC000185145177 437427619 /nfs/dbraw/zinc/42/76/19/437427619.db2.gz GHVMLWQYTNRTTO-IAGOWNOFSA-N 0 0 333.432 0.071 10 0 ECAERN Cc1cc(N2CCC[C@H](Nc3ccnc(C(N)=O)c3)C2=O)n(C)n1 ZINC000184043054 437396754 /nfs/dbraw/zinc/39/67/54/437396754.db2.gz BUPJXZKBPMJRHV-LBPRGKRZSA-N 0 0 328.376 0.830 10 0 ECAERN Cc1noc([C@H]2COCCN2C(=O)CNC(=O)c2ccc(F)cc2)n1 ZINC000186610570 437477366 /nfs/dbraw/zinc/47/73/66/437477366.db2.gz HLTHAWVXHQJHGK-CYBMUJFWSA-N 0 0 348.334 0.847 10 0 ECAERN CCOC(=O)c1nn(C)cc1CN1CCO[C@@H](c2nnc(CC)[nH]2)C1 ZINC000186152566 437461971 /nfs/dbraw/zinc/46/19/71/437461971.db2.gz WSMDZOINWCXMDO-GFCCVEGCSA-N 0 0 348.407 0.851 10 0 ECAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)N1CC(NC(=O)C3CC3)C1)CC2 ZINC000187192290 437495643 /nfs/dbraw/zinc/49/56/43/437495643.db2.gz YLHYUDDZOPFCBN-GFCCVEGCSA-N 0 0 346.435 0.636 10 0 ECAERN CO[C@@H]1COC[C@H]1n1cc(C(=O)N2CC(O)(c3ccccc3)C2)nn1 ZINC000290828591 437533547 /nfs/dbraw/zinc/53/35/47/437533547.db2.gz HKORJAGLFBSSKN-HUUCEWRRSA-N 0 0 344.371 0.208 10 0 ECAERN CNS(=O)(=O)CCNC(=O)N1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000188222754 437537417 /nfs/dbraw/zinc/53/74/17/437537417.db2.gz NUHFLYSKBCPCRB-GFCCVEGCSA-N 0 0 343.453 0.433 10 0 ECAERN O=C([C@@H]1CC(c2cccnc2)=NO1)N1CC[C@@H](N2CCOCC2)C1 ZINC000188237110 437538140 /nfs/dbraw/zinc/53/81/40/437538140.db2.gz VJDDWFCZPSBRJO-ZBFHGGJFSA-N 0 0 330.388 0.508 10 0 ECAERN CC(=O)NC1CN(C(=O)[C@@H]2CC(=O)N(Cc3ccc(C)cc3)C2)C1 ZINC000190454435 437626970 /nfs/dbraw/zinc/62/69/70/437626970.db2.gz QPZWLCJFRILYMT-OAHLLOKOSA-N 0 0 329.400 0.690 10 0 ECAERN CC(=O)NC1CN(C(=O)[C@H](Cc2ccc(F)cc2)n2nnnc2C)C1 ZINC000190473553 437627086 /nfs/dbraw/zinc/62/70/86/437627086.db2.gz BMNYEDGTSFKLFA-HNNXBMFYSA-N 0 0 346.366 0.251 10 0 ECAERN Cn1ccc2cccc(NC(=O)C(=O)NC[C@@H]3CN(C)CCO3)c21 ZINC000190522934 437628688 /nfs/dbraw/zinc/62/86/88/437628688.db2.gz IYKYPEODKJRONO-CYBMUJFWSA-N 0 0 330.388 0.564 10 0 ECAERN Cc1ccn(C)c(=O)c1NC(=O)C(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000190746774 437635989 /nfs/dbraw/zinc/63/59/89/437635989.db2.gz KTQXBXZVYDWGGF-CYBMUJFWSA-N 0 0 343.387 0.520 10 0 ECAERN CCn1cc([C@@H]2CN(CC(=O)NC(=O)NC(C)(C)C)CCO2)cn1 ZINC000190786563 437638111 /nfs/dbraw/zinc/63/81/11/437638111.db2.gz CKEGKZLRXKKRGG-ZDUSSCGKSA-N 0 0 337.424 0.901 10 0 ECAERN CCN1C(=O)CC[C@H](C(=O)N2C[C@H](O)C(C)(C)C2)[C@@H]1c1cnn(C)c1 ZINC000365754824 437965831 /nfs/dbraw/zinc/96/58/31/437965831.db2.gz VDBQZMVMVKEPSN-DZKIICNBSA-N 0 0 348.447 0.949 10 0 ECAERN CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@](O)(C(N)=O)C1 ZINC000367005247 438152305 /nfs/dbraw/zinc/15/23/05/438152305.db2.gz YQHNUTRJTHUXMZ-PXAZEXFGSA-N 0 0 339.436 0.252 10 0 ECAERN Cn1cnc2c1CCN(S(=O)(=O)c1ccc3[nH]c(=O)[nH]c3c1)C2 ZINC000375872070 438264782 /nfs/dbraw/zinc/26/47/82/438264782.db2.gz MRGTZAWNYYYVBR-UHFFFAOYSA-N 0 0 333.373 0.749 10 0 ECAERN C[C@H](O)CNS(=O)(=O)C[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000521396662 439117487 /nfs/dbraw/zinc/11/74/87/439117487.db2.gz CDBCDKSZIYJEIW-UONOGXRCSA-N 0 0 340.445 0.839 10 0 ECAERN CC(=O)N1CCC[C@@](O)(C(=O)Nc2ccn(Cc3ccccc3)n2)C1 ZINC000570299564 439408764 /nfs/dbraw/zinc/40/87/64/439408764.db2.gz XYZKBQZJNXXKOI-SFHVURJKSA-N 0 0 342.399 1.243 10 0 ECAERN Cc1cc(S(=O)(=O)N2CCC[C@@](O)(c3cn[nH]n3)C2)ccc1F ZINC000583616425 439486355 /nfs/dbraw/zinc/48/63/55/439486355.db2.gz PRXIIRMUEKXLEU-AWEZNQCLSA-N 0 0 340.380 0.925 10 0 ECAERN Cn1cc(C(=O)N2CCC[C@](O)(c3cn[nH]n3)C2)c(C(C)(C)C)n1 ZINC000583619047 439488567 /nfs/dbraw/zinc/48/85/67/439488567.db2.gz ZOEGBWDLPUITHF-MRXNPFEDSA-N 0 0 332.408 0.960 10 0 ECAERN NS(=O)(=O)c1cccc(CCc2cccnc2)c1-c1nn[nH]n1 ZINC000584596839 439603760 /nfs/dbraw/zinc/60/37/60/439603760.db2.gz NGVLNGZGXDYUFF-UHFFFAOYSA-N 0 0 330.373 0.694 10 0 ECAERN CCN1CCO[C@@H](CNC(=O)c2ccc[nH]c2=O)[C@@H]1c1cnn(C)c1 ZINC000618143848 440056468 /nfs/dbraw/zinc/05/64/68/440056468.db2.gz FYIPDCPMRZZUCE-GJZGRUSLSA-N 0 0 345.403 0.713 10 0 ECAERN NC(=O)C[C@@H](N)C(=O)NCc1cc(Cl)ccc1Br ZINC000648188066 440256987 /nfs/dbraw/zinc/25/69/87/440256987.db2.gz QCWYFHPXZPORKE-SECBINFHSA-N 0 0 334.601 0.921 10 0 ECAERN CNC(=O)[C@@]1(COC)CCCN1C(=O)CCc1c(C)nn(C)c1C ZINC000643952921 440389462 /nfs/dbraw/zinc/38/94/62/440389462.db2.gz GASLXXDBCZNLAE-KRWDZBQOSA-N 0 0 336.436 0.723 10 0 ECAERN CC(C)Oc1cc(C(=O)N2C[C@@H](O)[C@H](Oc3cnn(C)c3)C2)ccn1 ZINC000628260714 440445921 /nfs/dbraw/zinc/44/59/21/440445921.db2.gz RWWPTOCETFDAPZ-HUUCEWRRSA-N 0 0 346.387 0.867 10 0 ECAERN O=C(CN1CCCC[C@@H](O)C1=O)Nc1ccn(-c2ccccc2)n1 ZINC000644292708 440507403 /nfs/dbraw/zinc/50/74/03/440507403.db2.gz WUANAIADOMHTBM-CQSZACIVSA-N 0 0 328.372 1.184 10 0 ECAERN Cc1nnc2n1C[C@H](C(=O)N1CCC(Cn3cccn3)CC1)N(C)C2 ZINC000644357182 440545621 /nfs/dbraw/zinc/54/56/21/440545621.db2.gz MGLFCFUXCIECNZ-OAHLLOKOSA-N 0 0 343.435 0.536 10 0 ECAERN Cn1cc(Br)c(C(=O)N2CC[C@@H](N3CCOCC3)C2)n1 ZINC000645618248 440862178 /nfs/dbraw/zinc/86/21/78/440862178.db2.gz DNVQUXKMVWYLFB-SNVBAGLBSA-N 0 0 343.225 0.729 10 0 ECAERN Cn1nccc1[C@@H]1OCCC[C@H]1CNS(=O)(=O)Cc1ccon1 ZINC000657201555 440986955 /nfs/dbraw/zinc/98/69/55/440986955.db2.gz WSRCLVVDHFYKIJ-SMDDNHRTSA-N 0 0 340.405 0.995 10 0 ECAERN Cc1cc(C)n(C[C@@H]2CN(S(=O)(=O)N3CCC[C@@H]3C)CCO2)n1 ZINC000184981132 320535092 /nfs/dbraw/zinc/53/50/92/320535092.db2.gz QHBXHSGFGPXWBI-ZFWWWQNUSA-N 0 0 342.465 0.930 10 0 ECAERN C[C@H](CC(=O)N1CSC[C@@H]1C(=O)N(C)C)N1CCCCC1=O ZINC000328696658 320728012 /nfs/dbraw/zinc/72/80/12/320728012.db2.gz KYAPQSOQJVIUNW-VXGBXAGGSA-N 0 0 327.450 0.767 10 0 ECAERN COCCN1CCCN(C(=O)C[C@H]2CCCCC(=O)N2)CC1=O ZINC000328803425 320733791 /nfs/dbraw/zinc/73/37/91/320733791.db2.gz LHEGHTKBFMSQGG-CYBMUJFWSA-N 0 0 325.409 0.983 10 0 ECAERN C[C@@H](CC(=O)N1CCC[C@](O)(Cn2ccnn2)C1)N1CCCCC1=O ZINC000328957201 320744939 /nfs/dbraw/zinc/74/49/39/320744939.db2.gz PGOBZNYDEOKXTQ-WMLDXEAASA-N 0 0 349.435 0.423 10 0 ECAERN C[C@H](C(=O)N1CCN(C)[C@@H](c2nc(C3CC3)no2)C1)N1CCOCC1 ZINC000328992771 320747089 /nfs/dbraw/zinc/74/70/89/320747089.db2.gz DORDYGQFKKMGNN-TZMCWYRMSA-N 0 0 349.435 0.483 10 0 ECAERN CC(C)c1nc([C@H]2COCCN2C(=O)[C@@H](C)N2CCOCC2)no1 ZINC000329399336 320769955 /nfs/dbraw/zinc/76/99/55/320769955.db2.gz XHXSGQCYPFLTJV-CHWSQXEVSA-N 0 0 338.408 0.814 10 0 ECAERN CC(C)[C@H]1N(C(=O)CCN2CCCS2(=O)=O)C[C@]12CCCO2 ZINC000329433317 320771858 /nfs/dbraw/zinc/77/18/58/320771858.db2.gz IFWIMZHMTRQZFN-HUUCEWRRSA-N 0 0 330.450 0.828 10 0 ECAERN CO[C@H]1CN(C(=O)c2c(C)nn(C)c2-n2cc(C)cn2)C[C@@H]1OC ZINC000330154028 320807457 /nfs/dbraw/zinc/80/74/57/320807457.db2.gz XOCDQPSNIZQXKV-STQMWFEESA-N 0 0 333.392 0.708 10 0 ECAERN Cn1nncc1S(=O)(=O)N1CC[C@@H](n2ncc3ccccc32)C1 ZINC000330172341 320808354 /nfs/dbraw/zinc/80/83/54/320808354.db2.gz XWRRMRYJEPAIMR-GFCCVEGCSA-N 0 0 332.389 0.801 10 0 ECAERN CN(C(=O)[C@H]1CSCN1S(=O)(=O)NC1CCCC1)C1CC1 ZINC000330248008 320812556 /nfs/dbraw/zinc/81/25/56/320812556.db2.gz LZULLAABXMTLOX-GFCCVEGCSA-N 0 0 333.479 0.759 10 0 ECAERN CO[C@H]1C[C@@H](CO)N(C(=O)c2nnn(Cc3ccc(F)cc3)c2C)C1 ZINC000345306752 321182760 /nfs/dbraw/zinc/18/27/60/321182760.db2.gz KXXJBRULVPEROH-GJZGRUSLSA-N 0 0 348.378 0.996 10 0 ECAERN CC(=O)N1CCOC[C@@H]1C(=O)NCc1ncnn1-c1ccccc1 ZINC000377647961 321876532 /nfs/dbraw/zinc/87/65/32/321876532.db2.gz WDBZSYXGWAULKV-CQSZACIVSA-N 0 0 329.360 0.131 10 0 ECAERN CCCC/C=C/c1nc2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(N)n1 ZINC000013478652 517550660 /nfs/dbraw/zinc/55/06/60/517550660.db2.gz CGSZRCYBQDADPV-KBMGPZOWSA-N 0 0 349.391 0.223 10 0 ECAERN O=C(Cn1ncc(=O)c2ccccc21)N1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000132031373 534761994 /nfs/dbraw/zinc/76/19/94/534761994.db2.gz BJXSWUCQOSJXDY-UKRRQHHQSA-N 0 0 340.383 0.666 10 0 ECAERN O=C([O-])c1cn(CCF)c2nc(N3CC[NH2+]CC3)c(F)cc2c1=O ZINC000029394165 526401553 /nfs/dbraw/zinc/40/15/53/526401553.db2.gz UDVOCWCSFKHVEL-UHFFFAOYSA-N 0 0 338.314 0.613 10 0 ECAERN CC(=O)NC1CN(C(=O)[C@H]2CCC(=O)N(C)[C@H]2c2ccccc2)C1 ZINC000191493846 526712635 /nfs/dbraw/zinc/71/26/35/526712635.db2.gz TWTGSNYOORQGBI-RDJZCZTQSA-N 0 0 329.400 0.943 10 0 ECAERN CC(=O)NC1CN(C(=O)c2nn(-c3ccccc3F)c(C)cc2=O)C1 ZINC000190500242 526713422 /nfs/dbraw/zinc/71/34/22/526713422.db2.gz GATXEHVBRDDRFX-UHFFFAOYSA-N 0 0 344.346 0.641 10 0 ECAERN O=C(CN1CCOC[C@@H]1CO)Nc1ccc(Br)cn1 ZINC000168870395 545863466 /nfs/dbraw/zinc/86/34/66/545863466.db2.gz OUJJKYCGBZELFQ-JTQLQIEISA-N 0 0 330.182 0.476 10 0 ECAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1C[C@@H](c2ccccc2)OC[C@@H]1C ZINC000188876850 545903233 /nfs/dbraw/zinc/90/32/33/545903233.db2.gz OSRJZOBJDOHZED-DXEWXGHRSA-N 0 0 332.400 0.957 10 0 ECAERN C[C@H](O)CN1CCN(C(=O)C(=O)Nc2cnn(CC3CC3)c2)C[C@@H]1C ZINC000246272245 545939038 /nfs/dbraw/zinc/93/90/38/545939038.db2.gz SGDPBIHPNKYYOO-STQMWFEESA-N 0 0 349.435 0.145 10 0 ECAERN CCc1cccc(S(=O)(=O)N2CC[C@](O)(Cn3ccnn3)C2)c1 ZINC000671431076 548146987 /nfs/dbraw/zinc/14/69/87/548146987.db2.gz DERGJRVNXBDQIE-HNNXBMFYSA-N 0 0 336.417 0.666 10 0 ECAERN Cc1cccc(CNC(=O)CN2CC[C@](O)(Cn3ccnn3)C2)c1 ZINC000671554469 548184410 /nfs/dbraw/zinc/18/44/10/548184410.db2.gz AJXCPLKAZPDXCW-QGZVFWFLSA-N 0 0 329.404 0.340 10 0 ECAERN CCn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2cnn3ncccc23)cn1 ZINC000685940039 549726959 /nfs/dbraw/zinc/72/69/59/549726959.db2.gz BZWMKWVMPFUJJR-DZGCQCFKSA-N 0 0 342.359 0.522 10 0 ECAERN COC[C@H](O)c1cnnn1CCCN1C(=O)c2ccccc2C1=O ZINC000675080829 564113994 /nfs/dbraw/zinc/11/39/94/564113994.db2.gz WGYSJEVFYRJGRO-AWEZNQCLSA-N 0 0 330.344 0.644 10 0 ECAERN CCCn1[nH]ccc1=NC(=O)CN1C[C@H](OC)C[C@H]1c1ncc[nH]1 ZINC000888079146 586246854 /nfs/dbraw/zinc/24/68/54/586246854.db2.gz DURVPCRWYYERPH-OLZOCXBDSA-N 0 0 332.408 0.839 10 0 ECAERN Cc1nn(C)c(C)c1OCC(=O)N[C@H]1COC[C@H]1Oc1cnn(C)c1 ZINC000888093502 586348592 /nfs/dbraw/zinc/34/85/92/586348592.db2.gz AOSAKYWHZWYBHY-UONOGXRCSA-N 0 0 349.391 0.112 10 0 ECAERN Cn1nc(C(=O)N[C@H]2CCC(=O)N[C@@H]2[C@H]2CCCO2)cc1C1CC1 ZINC000888095067 586348848 /nfs/dbraw/zinc/34/88/48/586348848.db2.gz HRTRRXRIBLBWFL-PEYYIBSZSA-N 0 0 332.404 0.854 10 0 ECAERN CN(Cc1ccc2c(c1)OCO2)C(=O)c1cn([C@@H]2COC[C@H]2O)nn1 ZINC000888093669 586349007 /nfs/dbraw/zinc/34/90/07/586349007.db2.gz NDKKFACFMDDKRZ-CHWSQXEVSA-N 0 0 346.343 0.211 10 0 ECAERN Cc1ccc(C(=O)NCc2nc([C@@H]3COCCN3C)n[nH]2)c(C)n1 ZINC000888095259 586349589 /nfs/dbraw/zinc/34/95/89/586349589.db2.gz VXWFAXKWWYEVIZ-ZDUSSCGKSA-N 0 0 330.392 0.750 10 0 ECAERN CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(CCC(=O)N2CCN(C)CC2)C1 ZINC000888102914 586350578 /nfs/dbraw/zinc/35/05/78/586350578.db2.gz UYUORIDAFNRJGM-CVEARBPZSA-N 0 0 349.479 0.952 10 0 ECAERN CNC(=O)[C@H]1Cn2c(C)nnc2CN1C(=O)c1cc[nH]c1C1CC1 ZINC000888103409 586350810 /nfs/dbraw/zinc/35/08/10/586350810.db2.gz YTNLOIWKBCBCMM-GFCCVEGCSA-N 0 0 328.376 0.563 10 0 ECAERN CC(=O)N1CC(OCC(=O)N2CC[C@H](n3cc(C4CC4)nn3)C2)C1 ZINC000899090295 586469769 /nfs/dbraw/zinc/46/97/69/586469769.db2.gz XQNDMFYXEHEART-ZDUSSCGKSA-N 0 0 333.392 0.176 10 0 ECAERN Cc1nc([C@@H]2CN(C(=O)CN3CSCCSC3)CCO2)no1 ZINC000907255876 587030398 /nfs/dbraw/zinc/03/03/98/587030398.db2.gz DZGPDXAVCPUCLX-NSHDSACASA-N 0 0 344.462 0.975 10 0 ECAERN COc1ccc(C)cc1CCNC(=O)[C@@H]1Cn2c(C)nnc2CN1 ZINC000818047784 587398773 /nfs/dbraw/zinc/39/87/73/587398773.db2.gz DFBCUFILDKTHAE-AWEZNQCLSA-N 0 0 329.404 0.734 10 0 ECAERN CCn1cc(O[C@@H]2COC[C@@H]2NC(=O)Cn2ccccc2=O)cn1 ZINC000818601841 587440297 /nfs/dbraw/zinc/44/02/97/587440297.db2.gz AMSNILAUVLKIQG-UONOGXRCSA-N 0 0 332.360 0.027 10 0 ECAERN CCN1CCO[C@@H](CNC(=O)c2noc(C)n2)[C@@H]1c1cnn(C)c1 ZINC000853835368 589561321 /nfs/dbraw/zinc/56/13/21/589561321.db2.gz ALAQZWXBKAZDDC-STQMWFEESA-N 0 0 334.380 0.303 10 0 ECAERN O=C1CCCN1C[C@@H](O)CN1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000111690369 589563493 /nfs/dbraw/zinc/56/34/93/589563493.db2.gz FVTCAGVBODDLKA-ROUUACIJSA-N 0 0 347.459 0.321 10 0 ECAERN COC(=O)[C@@H]1CCCN(C(=O)CS[C@H]2CCS(=O)(=O)C2)C1 ZINC000112284802 589590021 /nfs/dbraw/zinc/59/00/21/589590021.db2.gz JIIFCBTWGLEZLV-MNOVXSKESA-N 0 0 335.447 0.318 10 0 ECAERN Cn1ccnc1[C@@H]1OCCC[C@H]1CNS(=O)(=O)c1ccnn1C ZINC000858008151 589722341 /nfs/dbraw/zinc/72/23/41/589722341.db2.gz LEDAAKHCOGIUGJ-WCQYABFASA-N 0 0 339.421 0.600 10 0 ECAERN Cn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2ccnn2CC2CCC2)cn1 ZINC000869431594 589965249 /nfs/dbraw/zinc/96/52/49/589965249.db2.gz XDTBQJQYJQNJKD-GOEBONIOSA-N 0 0 345.403 0.993 10 0 ECAERN C[C@@H]1CN(Cn2nc(-c3ccccc3)ccc2=O)C[C@@H](C(N)=O)O1 ZINC000120307040 590117385 /nfs/dbraw/zinc/11/73/85/590117385.db2.gz XGFSGYPGHFKFFH-DOMZBBRYSA-N 0 0 328.372 0.442 10 0 ECAERN C[C@@H]1CN(Cn2nc(-c3cccnc3)n(C)c2=S)C[C@@H](C(N)=O)O1 ZINC000120314794 590117500 /nfs/dbraw/zinc/11/75/00/590117500.db2.gz VPJMTXWZUPROAO-PWSUYJOCSA-N 0 0 348.432 0.545 10 0 ECAERN Cc1ncc(CN2CCN(Cn3nc4cnccn4c3=O)CC2)s1 ZINC000132590367 590652590 /nfs/dbraw/zinc/65/25/90/590652590.db2.gz GRTBHQFIURCXLV-UHFFFAOYSA-N 0 0 345.432 0.431 10 0 ECAERN Cn1ccnc1N1CCN(C(=O)[C@@H]2CCCO[C@H]2c2cc[nH]n2)CC1 ZINC000886027761 590787112 /nfs/dbraw/zinc/78/71/12/590787112.db2.gz SIGYXJRIFJEKGT-UKRRQHHQSA-N 0 0 344.419 0.960 10 0 ECAERN CN(C)c1ccc(N[C@@H]2CCCN(C(=O)Cn3cnnn3)CC2)cn1 ZINC000886050405 590789178 /nfs/dbraw/zinc/78/91/78/590789178.db2.gz KZNAYFAUGXGLMB-CYBMUJFWSA-N 0 0 344.423 0.627 10 0 ECAERN CO[C@@H]1CN(C(=O)c2noc3c2CCCC3)C[C@H]1c1cn(C)nn1 ZINC000886075739 590790701 /nfs/dbraw/zinc/79/07/01/590790701.db2.gz YOKGQPFVNROYNT-SMDDNHRTSA-N 0 0 331.376 0.937 10 0 ECAERN CO[C@@H]1CN(C(=O)c2cnn3ncccc23)C[C@H]1c1cn(C)nn1 ZINC000886085049 590793770 /nfs/dbraw/zinc/79/37/70/590793770.db2.gz XFRCTDXSSFGYEB-SMDDNHRTSA-N 0 0 327.348 0.112 10 0 ECAERN CC(C)CS(=O)(=O)NC[C@H]1CCC(=O)N(C)[C@@H]1c1cnn(C)c1 ZINC000886095338 590794657 /nfs/dbraw/zinc/79/46/57/590794657.db2.gz SFMUQMLECRDLQD-DOMZBBRYSA-N 0 0 342.465 0.905 10 0 ECAERN COc1ccc(C(=O)N2CCN([C@@]3(C(N)=O)CCOC3)CC2)c(C)c1 ZINC000886096416 590795828 /nfs/dbraw/zinc/79/58/28/590795828.db2.gz FZOITRAYCWQPEO-SFHVURJKSA-N 0 0 347.415 0.406 10 0 ECAERN O=C(N[C@@H]1C[C@@H](O)C12CCOCC2)c1cnn(-c2ccncc2)c1 ZINC000886995566 590915103 /nfs/dbraw/zinc/91/51/03/590915103.db2.gz MWKIROPGDCXDAB-HUUCEWRRSA-N 0 0 328.372 0.927 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)N[C@@H](C)c1nnnn1C1CC1)CC2 ZINC000188986748 611456880 /nfs/dbraw/zinc/45/68/80/611456880.db2.gz BCZRZDJUCWTWFJ-VHSXEESVSA-N 0 0 345.411 0.537 10 0 ECAERN O=C(c1cc(Cl)nc(Cl)c1)N1CC[C@@]2(C1)NC(=O)NC2=O ZINC000084796220 608665460 /nfs/dbraw/zinc/66/54/60/608665460.db2.gz UPQJQTZCYDAEKZ-LBPRGKRZSA-N 0 0 329.143 0.813 10 0 ECAERN CN1CCN(C2=NCCN2S(=O)(=O)c2ccccc2F)CC1 ZINC000064929869 608672834 /nfs/dbraw/zinc/67/28/34/608672834.db2.gz XFRKVKPKTWEQFI-UHFFFAOYSA-N 0 0 326.397 0.433 10 0 ECAERN O=C(c1cnc2nsnc2c1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000222610981 609095103 /nfs/dbraw/zinc/09/51/03/609095103.db2.gz UEMKBIPXKOLUHQ-LBPRGKRZSA-N 0 0 347.400 0.550 10 0 ECAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)C2CN([C@@H]3CCOC3)C2)C1 ZINC000907729023 609617456 /nfs/dbraw/zinc/61/74/56/609617456.db2.gz GMVUOCYRBYMSPS-MGPQQGTHSA-N 0 0 336.392 0.387 10 0 ECAERN C[C@H](CNC(=O)C1CN(S(C)(=O)=O)C1)N(C)C(=O)OC(C)(C)C ZINC000908067731 609643202 /nfs/dbraw/zinc/64/32/02/609643202.db2.gz FRVDHRMZUKGVMS-SNVBAGLBSA-N 0 0 349.453 0.249 10 0 ECAERN CN1C(=O)CC[C@@H](C(=O)NC2CC(CO)(CO)C2)[C@H]1c1ccccc1 ZINC000913314395 609665164 /nfs/dbraw/zinc/66/51/64/609665164.db2.gz KBAYYRBTUSLMLB-NVXWUHKLSA-N 0 0 346.427 0.846 10 0 ECAERN COC(=O)CNC(=O)[C@@H]1CCC(=O)N1Cc1ccc2c(c1)OCO2 ZINC000223361356 609710162 /nfs/dbraw/zinc/71/01/62/609710162.db2.gz GQLLQSZMNQXBIB-NSHDSACASA-N 0 0 334.328 0.196 10 0 ECAERN CS(=O)(=O)c1cc(C(=O)N2CCOC[C@@H]2CO)ccc1Cl ZINC000168509837 609738078 /nfs/dbraw/zinc/73/80/78/609738078.db2.gz HESCWBLKUKIMDX-JTQLQIEISA-N 0 0 333.793 0.577 10 0 ECAERN CC(C)[C@]1(C)CC(=O)N(CN2CCO[C@H](Cn3cccn3)C2)C1=O ZINC000152784647 609880149 /nfs/dbraw/zinc/88/01/49/609880149.db2.gz KHTDSMSYYYVCKJ-YOEHRIQHSA-N 0 0 334.420 0.963 10 0 ECAERN COc1ccc(CNC(=O)/C=C/C(=O)N2CCOC[C@H]2CO)cc1 ZINC000912415112 609955219 /nfs/dbraw/zinc/95/52/19/609955219.db2.gz GPAGNYGIVQUPGR-PSKZRQQASA-N 0 0 334.372 0.087 10 0 ECAERN CCc1ccc(C(=O)N2CCOC[C@@H]2CO)cc1S(C)(=O)=O ZINC000912416370 609956578 /nfs/dbraw/zinc/95/65/78/609956578.db2.gz ACQBDFBTXOYEFK-ZDUSSCGKSA-N 0 0 327.402 0.486 10 0 ECAERN CC(C)(C)OC(=O)N1CC([C@@H](F)C(=O)N2CCOC[C@@H]2CO)C1 ZINC000912417048 609956582 /nfs/dbraw/zinc/95/65/82/609956582.db2.gz PUZUDIMNHNPGNE-NWDGAFQWSA-N 0 0 332.372 0.411 10 0 ECAERN O=C(N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cn1 ZINC000183659373 610591166 /nfs/dbraw/zinc/59/11/66/610591166.db2.gz VFHNURLVYYVBQF-ZIAGYGMSSA-N 0 0 335.291 0.953 10 0 ECAERN Cc1noc([C@@H](C)N2CCN(C(=O)NCCc3ccnn3C)CC2)n1 ZINC000185003053 610966850 /nfs/dbraw/zinc/96/68/50/610966850.db2.gz OIWPQBYXPHRPJI-GFCCVEGCSA-N 0 0 347.423 0.742 10 0 ECAERN CC(C)(C)[C@@]1(C)NC(=O)N(CN2CC[C@H](N3CCOCC3)C2)C1=O ZINC000193315040 612220835 /nfs/dbraw/zinc/22/08/35/612220835.db2.gz SBJHFFAXXINYBK-GUYCJALGSA-N 0 0 338.452 0.707 10 0 ECAERN CCN1CCC[C@@H](NC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)C1 ZINC000194648269 612247816 /nfs/dbraw/zinc/24/78/16/612247816.db2.gz HMODBHFRPJMZLP-GFCCVEGCSA-N 0 0 338.433 0.085 10 0 ECAERN COC[C@]1(C)NC(=O)N(CN2CCC[C@@H]2Cn2ccnc2C)C1=O ZINC000246129628 612763266 /nfs/dbraw/zinc/76/32/66/612763266.db2.gz FGCQSWJACOYKCU-CJNGLKHVSA-N 0 0 335.408 0.570 10 0 ECAERN Cc1cc(N2CCC[C@@H](NC(=O)NCCOC(C)C)C2=O)n(C)n1 ZINC000184141880 235317106 /nfs/dbraw/zinc/31/71/06/235317106.db2.gz JUBZNBHQSIKDON-CYBMUJFWSA-N 0 0 337.424 0.948 10 0 ECAERN CN1CCO[C@H]2CN(S(=O)(=O)c3cccc4ncccc43)C[C@@H]21 ZINC000128730974 222982578 /nfs/dbraw/zinc/98/25/78/222982578.db2.gz CFUOQRWEMJMJRG-GJZGRUSLSA-N 0 0 333.413 0.938 10 0 ECAERN Cn1c2ccccc2c2cnn(CC(=O)N3CCN(C)CC3)c(=O)c21 ZINC000020415702 202041483 /nfs/dbraw/zinc/04/14/83/202041483.db2.gz NRTULZHMXHTKRI-UHFFFAOYSA-N 0 0 339.399 0.662 10 0 ECAERN COCC(=O)NC1CN(C(=O)CCCc2nc3ccccc3[nH]2)C1 ZINC000186320395 235876300 /nfs/dbraw/zinc/87/63/00/235876300.db2.gz HRPBCSZEVJODMC-UHFFFAOYSA-N 0 0 330.388 0.859 10 0 ECAERN Nn1c(=O)cnnc1SCC(=O)Nc1cc(Cl)ccc1O ZINC000032521275 202226937 /nfs/dbraw/zinc/22/69/37/202226937.db2.gz IPFVDZPOFVTNGQ-UHFFFAOYSA-N 0 0 327.753 0.442 10 0 ECAERN CNC(=O)[C@@H]1CCCCN1C(=O)Cn1cnc2ccc(F)cc2c1=O ZINC000033213627 202253313 /nfs/dbraw/zinc/25/33/13/202253313.db2.gz WPBRXVMEENTWAE-AWEZNQCLSA-N 0 0 346.362 0.663 10 0 ECAERN O=C([O-])CCn1c(=O)c2cc(Cl)ccc2nc1N1CC[NH2+]CC1 ZINC000040351876 295984905 /nfs/dbraw/zinc/98/49/05/295984905.db2.gz MXVNDRDWYLUIGS-UHFFFAOYSA-N 0 0 336.779 0.934 10 0 ECAERN O=S(=O)(N[C@@H]1[C@@H](c2cncnc2)C[C@@H](O)[C@H]1O)c1ccccc1 ZINC000072321597 202364344 /nfs/dbraw/zinc/36/43/44/202364344.db2.gz ZFEPQAHCHVPRDQ-KBUPBQIOSA-N 0 0 335.385 0.033 10 0 ECAERN CCOC(=O)CNS(=O)(=O)c1cc(Br)ccc1N ZINC000037929878 202379777 /nfs/dbraw/zinc/37/97/77/202379777.db2.gz YHFMBTIXIWKWMS-UHFFFAOYSA-N 0 0 337.195 0.873 10 0 ECAERN O=S1(=O)C[C@H](O)[C@@H](NCc2ccc(Br)s2)C1 ZINC000038018698 202387887 /nfs/dbraw/zinc/38/78/87/202387887.db2.gz GPLZPXSNXQQDBK-YUMQZZPRSA-N 0 0 326.237 0.758 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)CS(=O)(=O)C1CCCC1)CC2 ZINC000114872648 201072030 /nfs/dbraw/zinc/07/20/30/201072030.db2.gz RYUHGYZNWSHDHV-LLVKDONJSA-N 0 0 340.449 0.629 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)N[C@@H]1CCc3nc(C)nn3C1)CC2 ZINC000114955176 201072635 /nfs/dbraw/zinc/07/26/35/201072635.db2.gz BYEPJKYNNUZNBY-VXGBXAGGSA-N 0 0 344.423 0.369 10 0 ECAERN O=C(N[C@@H]1CCc2ncnn2C1)c1ccc(=O)n(-c2ccccc2)n1 ZINC000112658081 201066909 /nfs/dbraw/zinc/06/69/09/201066909.db2.gz YBGXVZMZFJJGFS-GFCCVEGCSA-N 0 0 336.355 0.569 10 0 ECAERN COc1ccc(C(=O)NCC(=O)N[C@@H]2CCc3ncnn3C2)cc1 ZINC000112725509 201067373 /nfs/dbraw/zinc/06/73/73/201067373.db2.gz VJGJVLMXGBSQLR-GFCCVEGCSA-N 0 0 329.360 0.148 10 0 ECAERN Cn1c(N)c(C(=O)CN2CCC[C@@H]2c2ccco2)c(=O)n(C)c1=O ZINC000116297592 201075907 /nfs/dbraw/zinc/07/59/07/201075907.db2.gz QOIIGHXPACTPKW-SNVBAGLBSA-N 0 0 332.360 0.279 10 0 ECAERN CCS(=O)(=O)CCN(C)C1CCN(CCn2cccn2)CC1 ZINC000118398208 201078679 /nfs/dbraw/zinc/07/86/79/201078679.db2.gz FXQHEKPMSQILJM-UHFFFAOYSA-N 0 0 328.482 0.714 10 0 ECAERN CCC1CCC(NC(=O)CCc2nc3c([nH]2)n(C)c(=O)[nH]c3=O)CC1 ZINC000124630144 201096380 /nfs/dbraw/zinc/09/63/80/201096380.db2.gz HFINCKXXNFPHNQ-UHFFFAOYSA-N 0 0 347.419 0.968 10 0 ECAERN CCn1ncc2ccc(NC(=O)C(=O)N3CC(NC(C)=O)C3)cc21 ZINC000191349407 239058715 /nfs/dbraw/zinc/05/87/15/239058715.db2.gz ZJAJTAQBBFHPKO-UHFFFAOYSA-N 0 0 329.360 0.342 10 0 ECAERN CN(C)c1nccc([C@H]2CN(C(=O)C3=NN(C)C(=O)CC3)CCO2)n1 ZINC000276588183 201297738 /nfs/dbraw/zinc/29/77/38/201297738.db2.gz HZBKTXMBJBLDCQ-CYBMUJFWSA-N 0 0 346.391 0.051 10 0 ECAERN Cc1cn([C@@H]2C[C@@H]3O[P@@](=O)(N(C)C)OC[C@@H]3O2)c(=O)[nH]c1=O ZINC000005640547 201362332 /nfs/dbraw/zinc/36/23/32/201362332.db2.gz AFLIHLMNWDEWKU-CIKWGEAFSA-N 0 0 331.265 0.218 10 0 ECAERN NS(=O)(=O)c1cc2c(cc1C(F)(F)F)NC=NS2(=O)=O ZINC000002040949 201359586 /nfs/dbraw/zinc/35/95/86/201359586.db2.gz RGUQWGXAYZNLMI-UHFFFAOYSA-N 0 0 329.281 0.495 10 0 in-man ECAERN CCn1cc(CN2CCCN(C(=O)C(=O)NCC3CC3)CC2)cn1 ZINC000191830896 239323029 /nfs/dbraw/zinc/32/30/29/239323029.db2.gz YLIUCSOSZORLMK-UHFFFAOYSA-N 0 0 333.436 0.464 10 0 ECAERN Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N(C)Cc2ccon2)o1 ZINC000055254420 202686799 /nfs/dbraw/zinc/68/67/99/202686799.db2.gz HXFZSVWUVXZDMX-OAHLLOKOSA-N 0 0 346.387 0.925 10 0 ECAERN O=C(CCc1nc2ccccc2[nH]1)N1CCC2(CC1)NC(=O)NC2=O ZINC000023246993 212363457 /nfs/dbraw/zinc/36/34/57/212363457.db2.gz TXJVABTYSRAYBN-UHFFFAOYSA-N 0 0 341.371 0.696 10 0 ECAERN C[C@@H](NC(=O)N1CCS(=O)(=O)C[C@H]1c1cnn(C)c1)C1CC1 ZINC000189413121 296067726 /nfs/dbraw/zinc/06/77/26/296067726.db2.gz BHSUYDOIONMEKD-MFKMUULPSA-N 0 0 326.422 0.700 10 0 ECAERN O=C(NC[C@@H](O)CN1CCOCC1)c1ccoc1Br ZINC000193406721 240152908 /nfs/dbraw/zinc/15/29/08/240152908.db2.gz QZIGHBJCMUEICY-SECBINFHSA-N 0 0 333.182 0.465 10 0 ECAERN C[C@H](CC(=O)N1CCN(c2cnn(C)c2)C(=O)C1)N1CCCCC1=O ZINC000193456998 240172633 /nfs/dbraw/zinc/17/26/33/240172633.db2.gz PUIMDYVNSNGDEL-CYBMUJFWSA-N 0 0 347.419 0.386 10 0 ECAERN CCCCOC[C@H](O)Cn1c(=O)c2c(ncn2CCC)n(C)c1=O ZINC000193375063 240136224 /nfs/dbraw/zinc/13/62/24/240136224.db2.gz VEYVGPHBKQCOMX-GFCCVEGCSA-N 0 0 338.408 0.484 10 0 ECAERN CC(=O)NC1CN(S(=O)(=O)c2c(F)c(F)cc(F)c2F)C1 ZINC000193856318 240337025 /nfs/dbraw/zinc/33/70/25/240337025.db2.gz BZOVGTCBTHEURY-UHFFFAOYSA-N 0 0 326.271 0.752 10 0 ECAERN O=c1oc2cc(O[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)ccc2c2c1CCC2 ZINC000254848130 244043571 /nfs/dbraw/zinc/04/35/71/244043571.db2.gz CXPNYILRTMRVFZ-FAYQHZLMSA-N 0 0 334.324 0.100 10 0 ECAERN CN1CCO[C@H](CNS(=O)(=O)c2ccc3c(c2)OCCO3)C1 ZINC000074773628 203292912 /nfs/dbraw/zinc/29/29/12/203292912.db2.gz PNTXIQAEPYZOHX-LLVKDONJSA-N 0 0 328.390 0.067 10 0 ECAERN O=C(c1cccc(F)c1)N1CCN(C(=O)C2=NNC(=O)CC2)CC1 ZINC000075027647 203299750 /nfs/dbraw/zinc/29/97/50/203299750.db2.gz ZGVGRIQHGIQDAR-UHFFFAOYSA-N 0 0 332.335 0.376 10 0 ECAERN C[C@H]1COC[C@H](C)N1CC(=O)N(CCC(N)=O)Cc1ccccc1 ZINC000077366302 203383267 /nfs/dbraw/zinc/38/32/67/203383267.db2.gz VSJVRURSUWZNSK-GJZGRUSLSA-N 0 0 333.432 1.000 10 0 ECAERN C[C@@H](CNC(=O)C(=O)Nc1cccc2[nH]ccc21)N1CCOCC1 ZINC000077697219 203397677 /nfs/dbraw/zinc/39/76/77/203397677.db2.gz ZATIVJOZCLQTJM-LBPRGKRZSA-N 0 0 330.388 0.943 10 0 ECAERN NS(=O)(=O)[C@@H]1C=CN=C(I)[C@@H]1OC1CC1 ZINC000095734550 203767019 /nfs/dbraw/zinc/76/70/19/203767019.db2.gz YCIXVNSYRXMVGG-RNFRBKRXSA-N 0 0 342.158 0.552 10 0 ECAERN O=C(c1ccno1)N1CCC[C@@]2(CO[C@H](C(=O)N3CCOCC3)C2)C1 ZINC000096224864 203875637 /nfs/dbraw/zinc/87/56/37/203875637.db2.gz GFSYRVQQDCRIDL-YOEHRIQHSA-N 0 0 349.387 0.545 10 0 ECAERN NC(=O)[C@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Br)cc1 ZINC000103462006 204079674 /nfs/dbraw/zinc/07/96/74/204079674.db2.gz YJGKCFSTDWFTKV-WCBMZHEXSA-N 0 0 349.206 0.058 10 0 ECAERN CCC[C@@H]([NH3+])C(=O)N1CCc2ccc(S(=O)(=O)N(C)C)cc21 ZINC000236912088 204103513 /nfs/dbraw/zinc/10/35/13/204103513.db2.gz QKZJAGUKBHECLU-CYBMUJFWSA-N 0 0 325.434 0.953 10 0 ECAERN C[C@H](C(=O)NC(=O)NC1CC1)N1CCC(N(C)c2cccnn2)CC1 ZINC000105806704 204163005 /nfs/dbraw/zinc/16/30/05/204163005.db2.gz SXOYCTCQBUUGFV-GFCCVEGCSA-N 0 0 346.435 0.754 10 0 ECAERN CCCn1cc(CN2CCCN(C(=O)[C@@H](C)NC(N)=O)CC2)cn1 ZINC000105831753 204167763 /nfs/dbraw/zinc/16/77/63/204167763.db2.gz HRVBNEAJMMDIQG-CYBMUJFWSA-N 0 0 336.440 0.384 10 0 ECAERN O=C(CN1CCO[C@@H](Cn2cccn2)C1)NC(=O)Nc1ccccc1 ZINC000105889445 204177474 /nfs/dbraw/zinc/17/74/74/204177474.db2.gz AQMCGUBGNNLPLC-OAHLLOKOSA-N 0 0 343.387 0.932 10 0 ECAERN COc1ccc(C(=O)[N-]C(=O)C[N@@H+]2CCC[C@@H](n3cncn3)C2)cc1 ZINC000105898303 204178046 /nfs/dbraw/zinc/17/80/46/204178046.db2.gz ULQNUSZNAKMINR-CQSZACIVSA-N 0 0 343.387 0.880 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)C(=O)NCCCc2ccccc2)CC1 ZINC000106403310 204193944 /nfs/dbraw/zinc/19/39/44/204193944.db2.gz VRZMUISXYKNZGM-QGZVFWFLSA-N 0 0 347.459 0.651 10 0 ECAERN CCN1C[C@H](C(=O)N2CCO[C@@H](Cn3nc(C)cc3C)C2)CC1=O ZINC000110901998 204327497 /nfs/dbraw/zinc/32/74/97/204327497.db2.gz ZAASQYHPWOYJBQ-HUUCEWRRSA-N 0 0 334.420 0.596 10 0 ECAERN C[C@@H](NC(=O)c1ccoc1)C(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111083214 204334693 /nfs/dbraw/zinc/33/46/93/204334693.db2.gz RPNIMRCSINKFDO-TZMCWYRMSA-N 0 0 332.360 0.522 10 0 ECAERN O=C(CCn1cnc2sccc2c1=O)N[C@H]1CCc2ncnn2C1 ZINC000112651421 204409134 /nfs/dbraw/zinc/40/91/34/204409134.db2.gz KQCLXGFEQUGGNL-JTQLQIEISA-N 0 0 344.400 0.571 10 0 ECAERN Cc1cnn(C[C@H]2CN(C(=O)CCCNC(=O)C3CC3)CCO2)c1 ZINC000112062837 204380749 /nfs/dbraw/zinc/38/07/49/204380749.db2.gz ZJRVMOLXFAAPIP-OAHLLOKOSA-N 0 0 334.420 0.725 10 0 ECAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)c1ccc2n[nH]nc2c1 ZINC000127088516 205084569 /nfs/dbraw/zinc/08/45/69/205084569.db2.gz BHHLRUINAUIQPC-NSHDSACASA-N 0 0 327.348 0.961 10 0 ECAERN O=C(Nc1cccc(-n2ccnn2)c1)C(=O)N[C@@H]1CCCC[C@H]1CO ZINC000127880123 205121235 /nfs/dbraw/zinc/12/12/35/205121235.db2.gz SXJQSUDTINMSCC-SWLSCSKDSA-N 0 0 343.387 0.873 10 0 ECAERN CC(=O)N1CCC[C@@H](C(=O)N2CCCN(Cc3noc(C)n3)CC2)C1 ZINC000110945737 220082417 /nfs/dbraw/zinc/08/24/17/220082417.db2.gz NBFLICLOEBHOEI-OAHLLOKOSA-N 0 0 349.435 0.671 10 0 ECAERN CCNC(=O)C(C)(C)CNC(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000131149711 205275458 /nfs/dbraw/zinc/27/54/58/205275458.db2.gz LPKZFXPRJPUFCA-ZDUSSCGKSA-N 0 0 337.424 0.456 10 0 ECAERN O=C(NC[C@@H](O)CN1CCOCC1)c1ccc(-c2ccco2)[nH]c1=O ZINC000132603286 205332211 /nfs/dbraw/zinc/33/22/11/205332211.db2.gz CSGJZVGWFQRUJL-GFCCVEGCSA-N 0 0 347.371 0.058 10 0 ECAERN COCCN(C)S(=O)(=O)N1CCC[C@H](Cc2noc(C)n2)C1 ZINC000111339592 220141497 /nfs/dbraw/zinc/14/14/97/220141497.db2.gz BCQRMVDLEJCKPF-GFCCVEGCSA-N 0 0 332.426 0.456 10 0 ECAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1nc2ccccn2n1 ZINC000132762696 205341057 /nfs/dbraw/zinc/34/10/57/205341057.db2.gz ZTXSDIKIQQWFFP-NSHDSACASA-N 0 0 337.405 0.872 10 0 ECAERN O=C(NC[C@@H](O)CN1CCOCC1)c1cccnc1Br ZINC000132894269 205346704 /nfs/dbraw/zinc/34/67/04/205346704.db2.gz UJBQRWGAEYILQG-SNVBAGLBSA-N 0 0 344.209 0.267 10 0 ECAERN CCCNC(=O)CCC(=O)N1CCN(c2ccc3nncn3n2)CC1 ZINC000136409188 205503775 /nfs/dbraw/zinc/50/37/75/205503775.db2.gz OCVXNKDMNTVBOG-UHFFFAOYSA-N 0 0 345.407 0.079 10 0 ECAERN COc1ccc(F)c(NC(=O)C(=O)N[C@@H]2CCc3ncnn3C2)c1 ZINC000156302140 206070011 /nfs/dbraw/zinc/07/00/11/206070011.db2.gz TWWFZKCTEBTVRX-SECBINFHSA-N 0 0 333.323 0.496 10 0 ECAERN C[C@@H](CNC(=O)NCc1cn(C)nc1C(F)(F)F)N1CCOCC1 ZINC000157559875 206143145 /nfs/dbraw/zinc/14/31/45/206143145.db2.gz NESQGIDXJTYIPS-JTQLQIEISA-N 0 0 349.357 0.959 10 0 ECAERN C[C@@H]1CN(C(=O)CCc2nc(-c3ccco3)no2)C[C@@H](C(N)=O)O1 ZINC000157411053 206134795 /nfs/dbraw/zinc/13/47/95/206134795.db2.gz IZJURPJWFOKBMZ-KOLCDFICSA-N 0 0 334.332 0.363 10 0 ECAERN C[C@@H]1CN(C(=O)c2cc(Br)cn2C)C[C@H](C(N)=O)O1 ZINC000157443709 206137193 /nfs/dbraw/zinc/13/71/93/206137193.db2.gz SYJWVQSAEGFCCI-GMSGAONNSA-N 0 0 330.182 0.502 10 0 ECAERN CNC(=O)[C@H]1CCCN1C(=O)NCC[S@@](=O)Cc1ccccc1 ZINC000158702230 206205396 /nfs/dbraw/zinc/20/53/96/206205396.db2.gz WYFJMOWTBIQFNF-FATZIPQQSA-N 0 0 337.445 0.855 10 0 ECAERN Cc1nc2ccc(NC(=O)NC[C@H](O)CN3CCOCC3)cc2o1 ZINC000092226253 218126997 /nfs/dbraw/zinc/12/69/97/218126997.db2.gz XRDCGLIKSGPSTP-ZDUSSCGKSA-N 0 0 334.376 0.951 10 0 ECAERN Cc1cc(N2CCC[C@@H](NC(=O)c3ccn(C)c(=O)c3)C2=O)n(C)n1 ZINC000174983435 207078482 /nfs/dbraw/zinc/07/84/82/207078482.db2.gz DMVYBKBAGRCGAH-CYBMUJFWSA-N 0 0 343.387 0.353 10 0 ECAERN COc1cc(CNC(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)ccn1 ZINC000175650982 207146398 /nfs/dbraw/zinc/14/63/98/207146398.db2.gz ULNQGXLSXOZCQR-UKRRQHHQSA-N 0 0 334.420 0.952 10 0 ECAERN COCC(=O)NC[C@H]1Cn2c(-c3ccc4c(c3)OCO4)cnc2CO1 ZINC000096296347 218740008 /nfs/dbraw/zinc/74/00/08/218740008.db2.gz AAKBYJSWKLNLQT-LBPRGKRZSA-N 0 0 345.355 0.940 10 0 ECAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)Cn1c2ccccc2[nH]c1=O ZINC000176285197 207210923 /nfs/dbraw/zinc/21/09/23/207210923.db2.gz MROBVJRGXUHUEA-LBPRGKRZSA-N 0 0 326.360 0.881 10 0 ECAERN Cn1cc(N2CCN(C(=O)N[C@@H]3COc4ccccc43)CC2=O)cn1 ZINC000176464576 207230246 /nfs/dbraw/zinc/23/02/46/207230246.db2.gz NTSSQSKVESDLIV-CQSZACIVSA-N 0 0 341.371 0.912 10 0 ECAERN NC(=O)c1ccc(OCCC(=O)N[C@@H]2CCCn3ncnc32)cc1 ZINC000177583008 207358719 /nfs/dbraw/zinc/35/87/19/207358719.db2.gz GCECCGZTCHQNQG-CYBMUJFWSA-N 0 0 329.360 0.797 10 0 ECAERN CC(C)n1nccc1NC(=O)C(=O)N1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000177610467 207364303 /nfs/dbraw/zinc/36/43/03/207364303.db2.gz SVNRWWDZPJIUFB-QWHCGFSZSA-N 0 0 337.424 0.316 10 0 ECAERN CC1(C)NC(=O)N(CCCC(=O)N2CCC[C@@H]2Cn2ccnc2)C1=O ZINC000177812337 207399183 /nfs/dbraw/zinc/39/91/83/207399183.db2.gz ZOUWSOCWZUEZNW-CYBMUJFWSA-N 0 0 347.419 0.985 10 0 ECAERN CNC(=O)[C@@H]1CCCN1C(=O)NCc1cccc(-n2cncn2)c1 ZINC000179279528 207603178 /nfs/dbraw/zinc/60/31/78/207603178.db2.gz URYLPPGGOHGSCC-AWEZNQCLSA-N 0 0 328.376 0.687 10 0 ECAERN C[C@H](C1CC1)n1cc(NC(=O)NC[C@@H](O)CN2CCOCC2)cn1 ZINC000189731161 207746171 /nfs/dbraw/zinc/74/61/71/207746171.db2.gz YZGGOJDCFWUBHK-IUODEOHRSA-N 0 0 337.424 0.669 10 0 ECAERN COCCN1CCN(C(=O)NCc2ccc(C(N)=O)cc2)C[C@H]1C ZINC000117479387 221068291 /nfs/dbraw/zinc/06/82/91/221068291.db2.gz YKWBMHUHFKTGHY-CYBMUJFWSA-N 0 0 334.420 0.648 10 0 ECAERN Cn1cc(CN2CCO[C@H]3CN(C(=O)c4ccoc4)C[C@H]3C2)cn1 ZINC000248150700 257662190 /nfs/dbraw/zinc/66/21/90/257662190.db2.gz TZUNXBFLWVUAED-CVEARBPZSA-N 0 0 330.388 0.986 10 0 ECAERN COCCNC(=O)[C@@H]1CN(Cc2scnc2C)Cc2ccnn21 ZINC000248044521 257667204 /nfs/dbraw/zinc/66/72/04/257667204.db2.gz PWKYLQAITUTUDT-ZDUSSCGKSA-N 0 0 335.433 0.968 10 0 ECAERN CS(=O)(=O)N1CCO[C@@H]2CCN(C(=O)CC3CCCC3)C[C@H]21 ZINC000247546407 257680704 /nfs/dbraw/zinc/68/07/04/257680704.db2.gz UPSOOXPZDXTIAE-ZIAGYGMSSA-N 0 0 330.450 0.828 10 0 ECAERN CN(C[C@@H]1C[C@H](F)CN1c1ccncn1)c1ccc2nnnn2n1 ZINC000328625800 258032546 /nfs/dbraw/zinc/03/25/46/258032546.db2.gz DMGFGOFPYMGKQB-QWRGUYRKSA-N 0 0 329.343 0.363 10 0 ECAERN Cc1ccc(F)c(CN2CCN3C(=O)[C@@H]4C[C@@H](O)CN4C(=O)[C@H]3C2)c1 ZINC000014538980 292117569 /nfs/dbraw/zinc/11/75/69/292117569.db2.gz VJPVOXZEYCPBSP-VNQPRFMTSA-N 0 0 347.390 0.122 10 0 ECAERN CCc1noc([C@@H](C)N2CCN(c3cncc(OCCO)n3)CC2)n1 ZINC000132453714 296670300 /nfs/dbraw/zinc/67/03/00/296670300.db2.gz VEQQYYUMOIUROK-GFCCVEGCSA-N 0 0 348.407 0.676 10 0 ECAERN COc1ccc2[nH]c(C(=O)NC[C@H](O)CN3CCOCC3)cc2c1 ZINC000189404608 286384989 /nfs/dbraw/zinc/38/49/89/286384989.db2.gz KOUGXTHNRDUCQW-ZDUSSCGKSA-N 0 0 333.388 0.599 10 0 ECAERN COCCC1(C(=O)N2CCO[C@@H](C[N@H+](C)CC(=O)[O-])C2)CCC1 ZINC000262971404 292288534 /nfs/dbraw/zinc/28/85/34/292288534.db2.gz XQELPBKTINYMKV-ZDUSSCGKSA-N 0 0 328.409 0.437 10 0 ECAERN CCCn1nccc1NC(=O)C(=O)N[C@@H]1CCc2nc(CC)nn2C1 ZINC000154550649 296697142 /nfs/dbraw/zinc/69/71/42/296697142.db2.gz KBMYORRIJGOMML-LLVKDONJSA-N 0 0 345.407 0.517 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)[C@H](C)Oc2cccc(CO)c2)CC1 ZINC000163008255 296717718 /nfs/dbraw/zinc/71/77/18/296717718.db2.gz ULPQPBZXRRPWKU-GOEBONIOSA-N 0 0 336.432 0.861 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)NCCC(=O)N[C@@H](C)CC)CC2 ZINC000172312672 164842062 /nfs/dbraw/zinc/84/20/62/164842062.db2.gz NPSBIXBBXMKDIN-NWDGAFQWSA-N 0 0 336.440 0.759 10 0 ECAERN O=C(NC1CN(C(=O)N[C@H]2CCN(c3ncccc3F)C2)C1)C1CC1 ZINC000187514664 164991072 /nfs/dbraw/zinc/99/10/72/164991072.db2.gz FHDXKZMHGXHMHW-LBPRGKRZSA-N 0 0 347.394 0.719 10 0 ECAERN Cn1cc(S(=O)(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)cn1 ZINC000188878631 165003093 /nfs/dbraw/zinc/00/30/93/165003093.db2.gz PZGRCRSUEBCAQM-AAEUAGOBSA-N 0 0 327.431 0.878 10 0 ECAERN C[C@@H]1C(=O)NCCCN1C(=O)C1=NN(c2ccccc2)C(=O)CC1 ZINC000188878383 165003108 /nfs/dbraw/zinc/00/31/08/165003108.db2.gz WBJZUQCTDGVHGG-GFCCVEGCSA-N 0 0 328.372 0.906 10 0 ECAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188892253 165003261 /nfs/dbraw/zinc/00/32/61/165003261.db2.gz CDLIFFYJGAHGRR-ZDUSSCGKSA-N 0 0 346.435 0.986 10 0 ECAERN C[C@@H]1C(=O)NCCCN1C(=O)c1ccc(=O)n(-c2ccccc2F)n1 ZINC000188931978 165004296 /nfs/dbraw/zinc/00/42/96/165004296.db2.gz RTVMZUJCGTVXAN-LLVKDONJSA-N 0 0 344.346 0.722 10 0 ECAERN O=C(NC1CN(C(=O)[C@@H]2CCCN(CC(F)(F)F)C2)C1)C1CC1 ZINC000189405878 165010162 /nfs/dbraw/zinc/01/01/62/165010162.db2.gz ZNRYFWYPYRBMLT-LLVKDONJSA-N 0 0 333.354 0.998 10 0 ECAERN COc1ccc2c(c1)C[C@@H](C(=O)N1CC(NC(=O)C3CC3)C1)CO2 ZINC000189500522 165011159 /nfs/dbraw/zinc/01/11/59/165011159.db2.gz IOFHDTLRXJJNTF-CYBMUJFWSA-N 0 0 330.384 0.983 10 0 ECAERN CC(=O)NC1CN(C(=O)[C@@H]2CCCN2C(=O)Cc2ccccc2)C1 ZINC000190485445 165021372 /nfs/dbraw/zinc/02/13/72/165021372.db2.gz RVXZQSTYLNDIIN-INIZCTEOSA-N 0 0 329.400 0.567 10 0 ECAERN CC(=O)NC1CN(C(=O)[C@@H]2CCCN(C(=O)Cc3ccccc3)C2)C1 ZINC000190496661 165022273 /nfs/dbraw/zinc/02/22/73/165022273.db2.gz RAVVMKORHGIPGG-MRXNPFEDSA-N 0 0 343.427 0.815 10 0 ECAERN CCCCNC(=O)NC(=O)CN1CCO[C@@H](c2cnn(CC)c2)C1 ZINC000190788893 165025488 /nfs/dbraw/zinc/02/54/88/165025488.db2.gz OFRJMCZSYCAMJL-CQSZACIVSA-N 0 0 337.424 0.902 10 0 ECAERN C[C@@H]1C(=O)NCCCN1C(=O)NC1CCN(c2ccccn2)CC1 ZINC000191252493 165031367 /nfs/dbraw/zinc/03/13/67/165031367.db2.gz INYFYDVCZYGEKC-CYBMUJFWSA-N 0 0 331.420 0.970 10 0 ECAERN C[C@H]1C(=O)NCCCN1C(=O)NCCNC(=O)c1ccccc1F ZINC000191501449 165032773 /nfs/dbraw/zinc/03/27/73/165032773.db2.gz JTDHGUKOYLREPM-NSHDSACASA-N 0 0 336.367 0.476 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)C(=O)Nc1ccc(Cl)cn1)CC2 ZINC000193472970 165055705 /nfs/dbraw/zinc/05/57/05/165055705.db2.gz XISZSYKFVRUQDP-JTQLQIEISA-N 0 0 348.794 0.959 10 0 ECAERN C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NC[C@H]1CN(C)CCO1 ZINC000194630837 165069042 /nfs/dbraw/zinc/06/90/42/165069042.db2.gz MHUYTTSISHFDLI-FZMZJTMJSA-N 0 0 339.823 0.905 10 0 ECAERN CC(C)c1nnc2n1C[C@@H](NC(=O)CCC(=O)N1CCOCC1)CC2 ZINC000195291116 165079681 /nfs/dbraw/zinc/07/96/81/165079681.db2.gz LWTWLRYCLQCPJS-ZDUSSCGKSA-N 0 0 349.435 0.472 10 0 ECAERN COC(=O)CCNC(=O)CN1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000195510411 165085235 /nfs/dbraw/zinc/08/52/35/165085235.db2.gz VOMLXZLXAKTNBO-ZDUSSCGKSA-N 0 0 349.435 0.821 10 0 ECAERN CCOCCN1CCN(C(=O)[C@H](C)CS(C)(=O)=O)C[C@H]1CC ZINC000245436904 165104783 /nfs/dbraw/zinc/10/47/83/165104783.db2.gz VUYKGXBPVFBKTR-ZIAGYGMSSA-N 0 0 334.482 0.626 10 0 ECAERN O=C(N[C@H]1CCN(c2ncccc2F)C1)N[C@H]1CCc2ncnn2C1 ZINC000246258369 165128750 /nfs/dbraw/zinc/12/87/50/165128750.db2.gz QHQRILMXCDFUAN-RYUDHWBXSA-N 0 0 345.382 0.705 10 0 ECAERN CCCCNC(=O)NC(=O)CN1CCN(CCOCC)[C@@H](C)C1 ZINC000247101586 165153289 /nfs/dbraw/zinc/15/32/89/165153289.db2.gz IFGMZGSAVDGRBL-AWEZNQCLSA-N 0 0 328.457 0.655 10 0 ECAERN CC[C@@H]1CN(C(=O)NC[C@H]2CN(C)CCO2)CCN1CC(F)F ZINC000247816592 165167427 /nfs/dbraw/zinc/16/74/27/165167427.db2.gz WWTMPAZRSGMLJS-OLZOCXBDSA-N 0 0 334.411 0.688 10 0 ECAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NC[C@H](C)Cn1cccn1 ZINC000249762522 165203217 /nfs/dbraw/zinc/20/32/17/165203217.db2.gz MLBNULLULDPFJG-KBPBESRZSA-N 0 0 342.465 0.840 10 0 ECAERN CCS(=O)(=O)N[C@H](CCSC)C(=O)NC[C@@H]1CCC[C@H]1O ZINC000250240088 165204060 /nfs/dbraw/zinc/20/40/60/165204060.db2.gz KVWOWXKTRYPFRK-QJPTWQEYSA-N 0 0 338.495 0.325 10 0 ECAERN C[NH2+][C@@H](C)CNS(=O)(=O)c1cc(C)cc(S(C)(=O)=O)c1C ZINC000261623283 165217103 /nfs/dbraw/zinc/21/71/03/165217103.db2.gz BRNGSUBSAAHTFI-JTQLQIEISA-N 0 0 334.463 0.593 10 0 ECAERN CCCNS(=O)(=O)c1ccc(NC(=O)[C@H]2NCCO[C@@H]2C)cc1 ZINC000262041108 165281039 /nfs/dbraw/zinc/28/10/39/165281039.db2.gz YNHBTQBNKLJPLI-RISCZKNCSA-N 0 0 341.433 0.690 10 0 ECAERN COC[C@H]([NH3+])C(=O)NCc1ccc(N(C)C(=O)c2ccncc2)cc1 ZINC000262278730 165321932 /nfs/dbraw/zinc/32/19/32/165321932.db2.gz LJTSSESRRQMYBW-INIZCTEOSA-N 0 0 342.399 0.948 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NS(=O)(=O)c2c(C)nn(C)c2C)C1 ZINC000262459489 165351792 /nfs/dbraw/zinc/35/17/92/165351792.db2.gz JEDFUCGYCULMRA-UHFFFAOYSA-N 0 0 344.437 0.253 10 0 ECAERN CN(C)C(=O)CCCC(=O)NC1CC([N@@H+](CC(=O)[O-])CC2CC2)C1 ZINC000262727487 165378044 /nfs/dbraw/zinc/37/80/44/165378044.db2.gz TWOGNHZABNMHBN-UHFFFAOYSA-N 0 0 339.436 0.689 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)c2cn(CCC(C)C)nn2)C1 ZINC000262737091 165379579 /nfs/dbraw/zinc/37/95/79/165379579.db2.gz VMWXEQDXINYXMF-UHFFFAOYSA-N 0 0 337.424 0.992 10 0 ECAERN Cc1oc(-c2ccco2)nc1CC(=O)NC[C@@H](O)CN1CCOCC1 ZINC000128103216 263146397 /nfs/dbraw/zinc/14/63/97/263146397.db2.gz YNMRYGQUQQNAJI-CYBMUJFWSA-N 0 0 349.387 0.595 10 0 ECAERN CC(=O)NC1CN(C(=O)NCCCNC(=O)c2cccc(F)c2)C1 ZINC000190066961 263163408 /nfs/dbraw/zinc/16/34/08/263163408.db2.gz QLSAINLXJNXCOV-UHFFFAOYSA-N 0 0 336.367 0.476 10 0 ECAERN CN1CCN(C(=O)c2ccc(NC(=O)[C@@H]3CNC(=O)C3)cc2)CC1 ZINC000194823717 263169963 /nfs/dbraw/zinc/16/99/63/263169963.db2.gz MNJNYITZDWSATB-ZDUSSCGKSA-N 0 0 330.388 0.149 10 0 ECAERN C[C@@H]1NC(=O)CC[C@@H]1NS(=O)(=O)c1cnn(Cc2ccccc2)c1 ZINC000282601048 264053027 /nfs/dbraw/zinc/05/30/27/264053027.db2.gz QSGOOHDJFNGBFF-WFASDCNBSA-N 0 0 348.428 0.877 10 0 ECAERN Cc1cccn2c(=O)cc(CN3CC[C@@](O)(c4cn[nH]n4)C3)nc12 ZINC000284785052 264237695 /nfs/dbraw/zinc/23/76/95/264237695.db2.gz KXWKHKBMWYFTSB-INIZCTEOSA-N 0 0 326.360 0.215 10 0 ECAERN Cc1cc(C(=O)N2C[C@@H](COCC(=O)N(C)C)OC(C)(C)C2)[nH]n1 ZINC000284896443 264252643 /nfs/dbraw/zinc/25/26/43/264252643.db2.gz AZGKAUCGSVRHHD-LBPRGKRZSA-N 0 0 338.408 0.443 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)CNC(=O)c2cc(C)cc(C)c2)CC1 ZINC000106403236 276642976 /nfs/dbraw/zinc/64/29/76/276642976.db2.gz POMWYDBJJXFRSI-KRWDZBQOSA-N 0 0 347.459 0.948 10 0 ECAERN Cc1c(NC(=O)C(=O)N[C@H]2CCc3ncnn3C2)cccc1N(C)C ZINC000180682214 280241725 /nfs/dbraw/zinc/24/17/25/280241725.db2.gz IUCLLNVNWRZPPQ-LBPRGKRZSA-N 0 0 342.403 0.722 10 0 ECAERN Cc1cc(NC(=O)C(=O)N[C@@H]2CCc3ncnn3C2)ccc1N(C)C ZINC000177634071 280595610 /nfs/dbraw/zinc/59/56/10/280595610.db2.gz FEMQPFYUVZELIT-CYBMUJFWSA-N 0 0 342.403 0.722 10 0 ECAERN Cc1nc2cncc(N3CCN([C@H]4CCN(C5CC5)C4=O)CC3)n2n1 ZINC000333034475 297102891 /nfs/dbraw/zinc/10/28/91/297102891.db2.gz NDFQQEPXVJYIHV-AWEZNQCLSA-N 0 0 341.419 0.318 10 0 ECAERN O=C(c1cccc(C(=O)N2CC(=O)N(CC3CC3)C2)n1)N1CCCC1 ZINC000333367344 297128563 /nfs/dbraw/zinc/12/85/63/297128563.db2.gz YSGVYBBRDUGIGL-UHFFFAOYSA-N 0 0 342.399 0.970 10 0 ECAERN CO[C@@H]1COC[C@@H]1N1CCN(S(=O)(=O)c2c(C)noc2C)CC1 ZINC000333588571 297143159 /nfs/dbraw/zinc/14/31/59/297143159.db2.gz SHYFODDXXLLMFS-QWHCGFSZSA-N 0 0 345.421 0.012 10 0 ECAERN Cc1nnc([C@H]2CCN(C(=O)[C@H]3COCCN3CC3CCC3)C2)[nH]1 ZINC000334115888 297164197 /nfs/dbraw/zinc/16/41/97/297164197.db2.gz HDTLOQQJFXXTDP-LSDHHAIUSA-N 0 0 333.436 0.930 10 0 ECAERN Cc1nnc([C@@H]2CCN(C(=O)[C@H]3COCCN3CC3CCC3)C2)[nH]1 ZINC000334115887 297164242 /nfs/dbraw/zinc/16/42/42/297164242.db2.gz HDTLOQQJFXXTDP-HUUCEWRRSA-N 0 0 333.436 0.930 10 0 ECAERN CCn1ccnc1CN1C[C@@H](COCC(=O)N(C)C)OC(C)(C)C1 ZINC000343348906 297864597 /nfs/dbraw/zinc/86/45/97/297864597.db2.gz SXYHLBXRNMLYFQ-AWEZNQCLSA-N 0 0 338.452 0.987 10 0 ECAERN O=C(N1CCCC1)[C@@]1(O)CCCN(Cc2cn3cccnc3n2)C1 ZINC000346709222 298324794 /nfs/dbraw/zinc/32/47/94/298324794.db2.gz NIYFRPROOKBUFA-QGZVFWFLSA-N 0 0 329.404 0.679 10 0 ECAERN C[C@@H]1C(=O)NCCCN1C(=O)N[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000364978850 300406828 /nfs/dbraw/zinc/40/68/28/300406828.db2.gz GIUIQXVPBHHHPE-OLZOCXBDSA-N 0 0 330.388 0.712 10 0 ECAERN CO[C@H]1C[C@H](C(=O)N[C@H]2CCOC(C)(C)C2)N(S(C)(=O)=O)C1 ZINC000366060581 300510904 /nfs/dbraw/zinc/51/09/04/300510904.db2.gz YVFIFPULQGRAMB-SDDRHHMPSA-N 0 0 334.438 0.109 10 0 ECAERN CN1C[C@@H](CNC(=O)CCN2C(=O)c3ccccc3C2=O)CC1=O ZINC000074863039 436141899 /nfs/dbraw/zinc/14/18/99/436141899.db2.gz CQEXGLDXXLNRPC-LLVKDONJSA-N 0 0 329.356 0.267 10 0 ECAERN NC(=O)N[C@H](Cc1ccccc1)C(=O)NCC(=O)NCc1ccco1 ZINC000026947568 436170131 /nfs/dbraw/zinc/17/01/31/436170131.db2.gz YLLJDNZMGLZLMV-CQSZACIVSA-N 0 0 344.371 0.292 10 0 ECAERN CO[C@H]1C[C@H](C(=O)N2Cc3ccccc3CO2)N(S(C)(=O)=O)C1 ZINC000377146929 301325109 /nfs/dbraw/zinc/32/51/09/301325109.db2.gz QWBWZGACDRGJBC-UONOGXRCSA-N 0 0 340.401 0.509 10 0 ECAERN COC(=O)Cn1ncc2c1ncnc2NC[C@@](C)(O)c1ccco1 ZINC000078376036 436267097 /nfs/dbraw/zinc/26/70/97/436267097.db2.gz TWYXTBQVYKRILS-OAHLLOKOSA-N 0 0 331.332 0.912 10 0 ECAERN CN(CCc1ccccn1)C(=O)CNC(=O)N[C@H]1CCCC[C@H]1CO ZINC000081491643 436348988 /nfs/dbraw/zinc/34/89/88/436348988.db2.gz HVDWUNMLBOJBJJ-HOCLYGCPSA-N 0 0 348.447 0.933 10 0 ECAERN C[C@@H](CNC(=O)CNC(=O)c1cc2ccccc2[nH]1)N1CCOCC1 ZINC000079506304 436298183 /nfs/dbraw/zinc/29/81/83/436298183.db2.gz KSLLTDTUKUODSB-ZDUSSCGKSA-N 0 0 344.415 0.735 10 0 ECAERN C[C@H](CNC(=O)[C@@H](C)n1nnc(-c2ccccc2)n1)N1CCOCC1 ZINC000079506528 436299307 /nfs/dbraw/zinc/29/93/07/436299307.db2.gz MKEWJRIYAMWXCQ-ZIAGYGMSSA-N 0 0 344.419 0.738 10 0 ECAERN CC(=O)N[C@@H]1CCCN(CC(=O)NCCN2CCc3ccccc32)C1 ZINC000079886172 436306761 /nfs/dbraw/zinc/30/67/61/436306761.db2.gz ISMKXJKTMJORFY-QGZVFWFLSA-N 0 0 344.459 0.766 10 0 ECAERN O=C([O-])[C@]12CN(C(=O)c3cccnn3)C[C@H]1C[N@@H+](C1CCOCC1)C2 ZINC000091494097 436453290 /nfs/dbraw/zinc/45/32/90/436453290.db2.gz HYXRMTWRVVMDLK-SJKOYZFVSA-N 0 0 346.387 0.114 10 0 ECAERN Cn1ccnc1COc1ccc(CN2CCOC[C@@H]2C(N)=O)cc1 ZINC000092230800 436468826 /nfs/dbraw/zinc/46/88/26/436468826.db2.gz XPNVZPZNVOAQLC-OAHLLOKOSA-N 0 0 330.388 0.685 10 0 ECAERN NC(=O)[C@H]1COCCN1CC(=O)Nc1ccccc1Br ZINC000092230290 436468985 /nfs/dbraw/zinc/46/89/85/436468985.db2.gz GRROQHVPTUFSMF-LLVKDONJSA-N 0 0 342.193 0.574 10 0 ECAERN NC(=O)[C@@H]1COCCN1CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000092230110 436469380 /nfs/dbraw/zinc/46/93/80/436469380.db2.gz JEGSEZLMJATBBG-NSHDSACASA-N 0 0 331.294 0.830 10 0 ECAERN Cc1nc2cc(NC(=O)NC[C@H](O)CN3CCOCC3)ccc2o1 ZINC000092929914 436478392 /nfs/dbraw/zinc/47/83/92/436478392.db2.gz LGBCGLXTZCQQGW-ZDUSSCGKSA-N 0 0 334.376 0.951 10 0 ECAERN Cc1cc(C)n(C[C@H](C)NC(=O)CN(C)c2ncnc3nc[nH]c32)n1 ZINC000095954293 436501192 /nfs/dbraw/zinc/50/11/92/436501192.db2.gz HBNWQDUXINWJBH-NSHDSACASA-N 0 0 342.407 0.807 10 0 ECAERN CC(=O)O[C@H]1[C@H](OC(C)=O)O[C@H](C)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000102281897 436551918 /nfs/dbraw/zinc/55/19/18/436551918.db2.gz QZQMGQQOGJIDKJ-SGDKIORQSA-N 0 0 332.305 0.089 10 0 ECAERN C[C@H](C(=O)NC1CC1)N1CCN(C[C@H](O)COC(C)(C)C)CC1 ZINC000054994739 436563545 /nfs/dbraw/zinc/56/35/45/436563545.db2.gz RBTZFYDONUCMPB-HIFRSBDPSA-N 0 0 327.469 0.447 10 0 ECAERN Cc1ccc(N2CCCN(CC(=O)NC[C@@H]3CCCO3)CC2)nn1 ZINC000105909546 436586391 /nfs/dbraw/zinc/58/63/91/436586391.db2.gz KDTPYARKXHLBIX-HNNXBMFYSA-N 0 0 333.436 0.592 10 0 ECAERN COCCNC(=O)c1ccc(N2CCO[C@H](Cn3cccn3)C2)nc1 ZINC000112557469 436632876 /nfs/dbraw/zinc/63/28/76/436632876.db2.gz LCWTZMHLZRMLNH-HNNXBMFYSA-N 0 0 345.403 0.560 10 0 ECAERN O=C(CNC(=O)Cc1cccc(F)c1)N[C@@H]1CCc2ncnn2C1 ZINC000112654961 436633850 /nfs/dbraw/zinc/63/38/50/436633850.db2.gz XZRZTMNAOMFIPC-CYBMUJFWSA-N 0 0 331.351 0.207 10 0 ECAERN O=C(CCCc1ccc2[nH]c(=O)[nH]c2c1)N[C@H]1CCc2ncnn2C1 ZINC000112659663 436633957 /nfs/dbraw/zinc/63/39/57/436633957.db2.gz IQDHWGAZANVGDD-LBPRGKRZSA-N 0 0 340.387 0.902 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)[C@@H](C)NC(=O)c1ccco1)CC2 ZINC000114863413 436644871 /nfs/dbraw/zinc/64/48/71/436644871.db2.gz IYOUYEYMGKILCW-GHMZBOCLSA-N 0 0 331.376 0.683 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)NCc1ccc(C(N)=O)cc1)CC2 ZINC000114931558 436645311 /nfs/dbraw/zinc/64/53/11/436645311.db2.gz HSJYTKRDLULELV-ZDUSSCGKSA-N 0 0 342.403 0.754 10 0 ECAERN CCCN(C)S(=O)(=O)N(C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000120727589 436695941 /nfs/dbraw/zinc/69/59/41/436695941.db2.gz RYOOWSGVSJEZNZ-CYBMUJFWSA-N 0 0 327.454 0.964 10 0 ECAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@@H](CO)CC(C)C ZINC000121189344 436710424 /nfs/dbraw/zinc/71/04/24/436710424.db2.gz RTHKPSPNLCCDRR-NEPJUHHUSA-N 0 0 325.413 0.966 10 0 ECAERN CNC(=O)[C@H]1CCCN1C(=O)Nc1cc(-n2cnnn2)ccc1C ZINC000194442182 436666527 /nfs/dbraw/zinc/66/65/27/436666527.db2.gz NRTGVVQPQDPSBB-CYBMUJFWSA-N 0 0 329.364 0.713 10 0 ECAERN CN(Cc1cn(C)nc1C(F)(F)F)C(=O)NC[C@@H]1CN(C)CCO1 ZINC000119365877 436668176 /nfs/dbraw/zinc/66/81/76/436668176.db2.gz PAWSQDDUUYPAFY-LLVKDONJSA-N 0 0 349.357 0.911 10 0 ECAERN C[C@H](CNC(=O)c1cn(Cc2cccc(F)c2)nn1)N1CCOCC1 ZINC000120235984 436681165 /nfs/dbraw/zinc/68/11/65/436681165.db2.gz KRLQKSGRSFNAPE-CYBMUJFWSA-N 0 0 347.394 0.916 10 0 ECAERN CCOC1CC(CNC(=O)[C@H]2CC[C@@H](C)O2)(N2CCOCC2)C1 ZINC000195198481 436682934 /nfs/dbraw/zinc/68/29/34/436682934.db2.gz ZVIDGHLTJKWYPJ-HCEZTOJASA-N 0 0 326.437 0.940 10 0 ECAERN CO[C@@H](C)CS(=O)(=O)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000195285998 436685595 /nfs/dbraw/zinc/68/55/95/436685595.db2.gz LLUSHGUGKGORBY-GOEBONIOSA-N 0 0 342.461 0.702 10 0 ECAERN O=C(CCOc1ccc(Cl)cc1)NC[C@H](O)CN1CCOCC1 ZINC000120411194 436685741 /nfs/dbraw/zinc/68/57/41/436685741.db2.gz YBFFKRZUKMKSOB-AWEZNQCLSA-N 0 0 342.823 0.918 10 0 ECAERN Cc1cc(N2CCN(Cc3nccc(N)n3)CC2)n2ncnc2n1 ZINC000122496520 436735087 /nfs/dbraw/zinc/73/50/87/436735087.db2.gz ORERUPHQSOARFJ-UHFFFAOYSA-N 0 0 325.380 0.127 10 0 ECAERN C[C@@H](C(=O)N(C)[C@@H]1CCCN(c2cccnn2)C1)S(C)(=O)=O ZINC000122644564 436735504 /nfs/dbraw/zinc/73/55/04/436735504.db2.gz YUTYUKKNZPRXDB-NWDGAFQWSA-N 0 0 326.422 0.337 10 0 ECAERN Nc1ccc(-c2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1 ZINC000068203484 436737390 /nfs/dbraw/zinc/73/73/90/436737390.db2.gz OGMSQGCPVLGNIG-UHFFFAOYSA-N 0 0 342.403 0.794 10 0 ECAERN CN(C)C[C@@H]1CN(C(=O)c2cc(S(C)(=O)=O)cs2)CCO1 ZINC000152980047 436745445 /nfs/dbraw/zinc/74/54/45/436745445.db2.gz RMNAVPPJKOKTEO-SNVBAGLBSA-N 0 0 332.447 0.554 10 0 ECAERN C[C@H](NC(=O)NC[C@@H]1CN(C)CCO1)c1ccc(-n2ccnn2)cc1 ZINC000124509566 436752045 /nfs/dbraw/zinc/75/20/45/436752045.db2.gz UWYLUIABJHWQOZ-XJKSGUPXSA-N 0 0 344.419 0.958 10 0 ECAERN C[C@H](NC(=O)N1CCO[C@H](Cn2cccn2)C1)C(=O)N1CCCCC1 ZINC000153416986 436755993 /nfs/dbraw/zinc/75/59/93/436755993.db2.gz YUJUYCGKRVWLCB-GJZGRUSLSA-N 0 0 349.435 0.695 10 0 ECAERN O=C(N[C@@H]1CCc2ncnn2C1)N1CC[C@@H](Oc2ccncc2)C1 ZINC000153767911 436763285 /nfs/dbraw/zinc/76/32/85/436763285.db2.gz NKTUMADFGXXAFS-TZMCWYRMSA-N 0 0 328.376 0.851 10 0 ECAERN O=C(N[C@@H]1CCc2ncnn2C1)N1CC[C@H](Oc2ccncc2)C1 ZINC000153768020 436763715 /nfs/dbraw/zinc/76/37/15/436763715.db2.gz NKTUMADFGXXAFS-OCCSQVGLSA-N 0 0 328.376 0.851 10 0 ECAERN COc1cccc([C@@H]2C[C@H]2C(=O)NC[C@@H](O)CN2CCOCC2)c1 ZINC000245688977 436767038 /nfs/dbraw/zinc/76/70/38/436767038.db2.gz OLUPKSNCZANZEK-HYVNUMGLSA-N 0 0 334.416 0.608 10 0 ECAERN CCOc1c(F)cccc1C(=O)NC[C@H](O)CN1CCOCC1 ZINC000128130289 436812440 /nfs/dbraw/zinc/81/24/40/436812440.db2.gz URHDZAAJRYPYLX-LBPRGKRZSA-N 0 0 326.368 0.647 10 0 ECAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)NC[C@H]1CC[C@H](C(N)=O)O1 ZINC000154259310 436774327 /nfs/dbraw/zinc/77/43/27/436774327.db2.gz NRJIQMZYDPXVMG-HZSPNIEDSA-N 0 0 349.435 0.916 10 0 ECAERN CCOCCN1CCN(C(=O)C(=O)Nc2ccnn2C)C[C@@H]1CC ZINC000154545749 436780378 /nfs/dbraw/zinc/78/03/78/436780378.db2.gz OEXVTMVQHNXRLY-ZDUSSCGKSA-N 0 0 337.424 0.318 10 0 ECAERN CC(C)CS(=O)(=O)CCC(=O)N1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000246593202 436783038 /nfs/dbraw/zinc/78/30/38/436783038.db2.gz AZSXJMWGZCOPLY-KBPBESRZSA-N 0 0 334.482 0.361 10 0 ECAERN Cc1cc(N2CCN(C(=O)C[C@@H](O)C(C)C)CC2)n2ncnc2n1 ZINC000155576516 436797389 /nfs/dbraw/zinc/79/73/89/436797389.db2.gz CFXHLWYGBDZKTR-CYBMUJFWSA-N 0 0 332.408 0.488 10 0 ECAERN CCc1nccn1[C@H]1CCCN(C(=O)C(=O)Nc2cnn(C)c2)C1 ZINC000158381861 436844587 /nfs/dbraw/zinc/84/45/87/436844587.db2.gz HTWOAOFCXDEEOC-ZDUSSCGKSA-N 0 0 330.392 0.981 10 0 ECAERN Cc1ncc(CN2CCN(C(=O)C(=O)Nc3cnn(C)c3)CC2)s1 ZINC000158362106 436845718 /nfs/dbraw/zinc/84/57/18/436845718.db2.gz CKQLZJOOSWJGHS-UHFFFAOYSA-N 0 0 348.432 0.468 10 0 ECAERN COCCC(=O)N1C[C@@H](Oc2cccnc2)C[C@H]1C(=O)NC1CC1 ZINC000257187320 436857268 /nfs/dbraw/zinc/85/72/68/436857268.db2.gz LPPMKYAWZDNXTG-GJZGRUSLSA-N 0 0 333.388 0.745 10 0 ECAERN CC(C)N1C[C@H](O)C[C@H]1c1nnc2n1CCN(C(=O)C1CC1)CC2 ZINC000257194400 436859148 /nfs/dbraw/zinc/85/91/48/436859148.db2.gz TZLHHKGRLQEGIF-KGLIPLIRSA-N 0 0 333.436 0.589 10 0 ECAERN CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C[C@@H](O)C(C)C ZINC000157973078 436835992 /nfs/dbraw/zinc/83/59/92/436835992.db2.gz JJBRHSBFTQCDGR-CQSZACIVSA-N 0 0 326.418 0.891 10 0 ECAERN CC(C)CS(=O)(=O)CC(=O)N[C@@H](C)c1nnc2n1CCCC2 ZINC000135371084 436913718 /nfs/dbraw/zinc/91/37/18/436913718.db2.gz DWSGEPPDGGXGOE-NSHDSACASA-N 0 0 328.438 0.862 10 0 ECAERN CCc1n[nH]c(=O)c(C(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)c1CC ZINC000136002658 436927224 /nfs/dbraw/zinc/92/72/24/436927224.db2.gz HCGRMMTWZNGYTH-WFASDCNBSA-N 0 0 348.447 0.687 10 0 ECAERN NC(=O)c1cc([C@H]2CCCN(C(=O)[C@@H]3CC(F)(F)CN3)C2)n[nH]1 ZINC000263310232 436962348 /nfs/dbraw/zinc/96/23/48/436962348.db2.gz YLIZBEZVLVZXOP-KWQFWETISA-N 0 0 327.335 0.212 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)N2CC[C@@H](C(=O)OC)C2)C1 ZINC000263456672 436967393 /nfs/dbraw/zinc/96/73/93/436967393.db2.gz HOOMEGKMTOKUSE-VOMCLLRMSA-N 0 0 327.381 0.128 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)N(C)CCOCC2CC2)C1 ZINC000263502262 436970334 /nfs/dbraw/zinc/97/03/34/436970334.db2.gz VVIWJZKXGNCRTH-UHFFFAOYSA-N 0 0 327.425 0.992 10 0 ECAERN CC(=O)NCCNC(=O)N1CC[C@@H](Oc2cccnc2N(C)C)C1 ZINC000275479087 436973685 /nfs/dbraw/zinc/97/36/85/436973685.db2.gz YSYPOTDNENXFJR-CYBMUJFWSA-N 0 0 335.408 0.446 10 0 ECAERN Cc1ccc(CCC(=O)NCC(=O)NC[C@H]2CN(C)CCO2)cc1 ZINC000171286584 436975808 /nfs/dbraw/zinc/97/58/08/436975808.db2.gz ITSZWWMUDAVQNH-INIZCTEOSA-N 0 0 333.432 0.491 10 0 ECAERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1ccccc1N1CCCC1 ZINC000166822505 436938928 /nfs/dbraw/zinc/93/89/28/436938928.db2.gz GPSBVZCJCWUSPV-HNNXBMFYSA-N 0 0 344.415 0.962 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)CCCNC(=O)C(C)(C)C)C1 ZINC000262757113 436942055 /nfs/dbraw/zinc/94/20/55/436942055.db2.gz ZDCKXDQHKWSSIL-UHFFFAOYSA-N 0 0 341.452 0.983 10 0 ECAERN C[C@H]1C[C@H](C)CN(C(=O)CN2CCC([N@H+](C)CC(=O)[O-])CC2)C1 ZINC000262920813 436944520 /nfs/dbraw/zinc/94/45/20/436944520.db2.gz KWXCEAGCHPRMQJ-KBPBESRZSA-N 0 0 325.453 0.972 10 0 ECAERN C[N@@H+](CC(=O)[O-])C[C@H]1CN(C(=O)CSC(F)(F)F)CCO1 ZINC000262950087 436946636 /nfs/dbraw/zinc/94/66/36/436946636.db2.gz ONEOPXFJBNELHL-QMMMGPOBSA-N 0 0 330.328 0.483 10 0 ECAERN CC[C@@H](CS(=O)(=O)NC1CC([N@@H+](CC(=O)[O-])CC2CC2)C1)OC ZINC000263128661 436952973 /nfs/dbraw/zinc/95/29/73/436952973.db2.gz MTROQNYLOZLBFJ-RUXDESIVSA-N 0 0 348.465 0.658 10 0 ECAERN Cc1cnn(C[C@@H]2CN(C(=O)CNC(=O)c3ccccn3)CCO2)c1 ZINC000172547837 437019072 /nfs/dbraw/zinc/01/90/72/437019072.db2.gz HDTNGIZXZDKPPD-AWEZNQCLSA-N 0 0 343.387 0.244 10 0 ECAERN NC(=O)c1ccccc1NC(=O)CN1CCC[C@@H](n2cncn2)C1 ZINC000171701731 436986216 /nfs/dbraw/zinc/98/62/16/436986216.db2.gz XZEHWVCUCMQMIW-GFCCVEGCSA-N 0 0 328.376 0.653 10 0 ECAERN CN1CCO[C@H](CNC(=O)NCCOc2ccc(F)cc2F)C1 ZINC000171735133 436988602 /nfs/dbraw/zinc/98/86/02/436988602.db2.gz SOKIVFNVGWFTHK-GFCCVEGCSA-N 0 0 329.347 0.973 10 0 ECAERN O=C(NCCNC(=O)c1cccs1)N[C@@H]1CCc2ncnn2C1 ZINC000171868009 436991331 /nfs/dbraw/zinc/99/13/31/436991331.db2.gz UPEWOUBPINSFTI-SNVBAGLBSA-N 0 0 334.405 0.384 10 0 ECAERN O=C(CCCNC(=O)N1CCO[C@@H](Cn2cccn2)C1)NC1CC1 ZINC000171901597 436991815 /nfs/dbraw/zinc/99/18/15/436991815.db2.gz APGMVMPVIWBDLA-CQSZACIVSA-N 0 0 335.408 0.352 10 0 ECAERN O=C(NCc1cccc(CO)c1)N1CCO[C@H](Cn2cccn2)C1 ZINC000171907418 436992107 /nfs/dbraw/zinc/99/21/07/436992107.db2.gz DMPLUVYXILHMIC-INIZCTEOSA-N 0 0 330.388 0.986 10 0 ECAERN CN1C(=O)CC[C@H](C(=O)NCC(=O)NC2CC2)[C@H]1c1ccccc1 ZINC000171987341 436995836 /nfs/dbraw/zinc/99/58/36/436995836.db2.gz LKYRFMSXJJZYHM-WMLDXEAASA-N 0 0 329.400 0.991 10 0 ECAERN O=C(CCc1ccco1)N1CCN(c2ccc3nncn3n2)CC1 ZINC000172350238 437011624 /nfs/dbraw/zinc/01/16/24/437011624.db2.gz LZJXBNGIXSHCQR-UHFFFAOYSA-N 0 0 326.360 0.999 10 0 ECAERN C[C@@H](O)CN1CCN(C(=O)c2nc3ccccc3c(=O)[nH]2)C[C@H]1C ZINC000173233882 437043049 /nfs/dbraw/zinc/04/30/49/437043049.db2.gz FXKWDEIRAFLWHQ-VXGBXAGGSA-N 0 0 330.388 0.450 10 0 ECAERN CNc1cc(N2CCC[C@@H]2CNC(=O)c2cnn(C)c2C)ncn1 ZINC000173421024 437048231 /nfs/dbraw/zinc/04/82/31/437048231.db2.gz DOYPKUCRAGXCGZ-GFCCVEGCSA-N 0 0 329.408 0.959 10 0 ECAERN CN(C)c1ncccc1CNC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000173777041 437063747 /nfs/dbraw/zinc/06/37/47/437063747.db2.gz UPTVUNBDUXWNAT-HNNXBMFYSA-N 0 0 333.436 0.764 10 0 ECAERN CC(C)CCOCCNC(=O)CN1CC[C@H](N2CCOCC2)C1 ZINC000173930432 437068438 /nfs/dbraw/zinc/06/84/38/437068438.db2.gz USWYAPKVWCRKCG-INIZCTEOSA-N 0 0 327.469 0.572 10 0 ECAERN CN(C)c1ccccc1NC(=O)C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000174009431 437073222 /nfs/dbraw/zinc/07/32/22/437073222.db2.gz GMWPDKHUMHOQRP-CQSZACIVSA-N 0 0 346.431 0.624 10 0 ECAERN CC[C@@H]1CN(C(=O)CCS(=O)(=O)CC(C)C)CCN1C[C@@H](C)O ZINC000174636403 437084403 /nfs/dbraw/zinc/08/44/03/437084403.db2.gz LLLFZIMZEAPAHC-HUUCEWRRSA-N 0 0 348.509 0.751 10 0 ECAERN CCN1CCO[C@@H](C(=O)N2CCN(Cc3c(C)nn(C)c3C)CC2)C1 ZINC000174875793 437090580 /nfs/dbraw/zinc/09/05/80/437090580.db2.gz KFQNWSDTYAJLCN-QGZVFWFLSA-N 0 0 349.479 0.402 10 0 ECAERN CC(C)NC(=O)CCNC(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000175653777 437111517 /nfs/dbraw/zinc/11/15/17/437111517.db2.gz LVVOTYYQVBOXTH-KGLIPLIRSA-N 0 0 326.441 0.263 10 0 ECAERN Cc1nnc(N2CCN(c3ccccc3S(N)(=O)=O)CC2)s1 ZINC000302679446 437146228 /nfs/dbraw/zinc/14/62/28/437146228.db2.gz RHCUUJYTNDDJBC-UHFFFAOYSA-N 0 0 339.446 0.821 10 0 ECAERN Cc1ccc([C@](C)(O)CNc2cc(N3CCN(C)C(=O)C3)ncn2)o1 ZINC000302559229 437146265 /nfs/dbraw/zinc/14/62/65/437146265.db2.gz KXAZUUXBQIIBPF-QGZVFWFLSA-N 0 0 345.403 0.976 10 0 ECAERN C[C@@H]1CN(C(=O)NCCCc2cnn(C)c2)C[C@H]1N1CCOCC1 ZINC000175748718 437116394 /nfs/dbraw/zinc/11/63/94/437116394.db2.gz SMJXYPMGTQFYEY-GDBMZVCRSA-N 0 0 335.452 0.715 10 0 ECAERN NS(=O)(=O)c1cnc(N2CCCN(c3cccnn3)CC2)s1 ZINC000301347076 437120643 /nfs/dbraw/zinc/12/06/43/437120643.db2.gz HHJDZXHWOWIAOM-UHFFFAOYSA-N 0 0 340.434 0.297 10 0 ECAERN Cc1nccn1C[C@@H]1CCCN1C(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000177177910 437173570 /nfs/dbraw/zinc/17/35/70/437173570.db2.gz VXUCWAOPWQJJQV-KBPBESRZSA-N 0 0 342.403 0.959 10 0 ECAERN CNc1cc(N2CCC[C@@H]2CNC(=O)CCc2nnc[nH]2)ncn1 ZINC000177237494 437175382 /nfs/dbraw/zinc/17/53/82/437175382.db2.gz YYECHINECJVSHU-LLVKDONJSA-N 0 0 330.396 0.354 10 0 ECAERN O=C1CCCN1C[C@H](O)CN(CCN1CCOCC1)c1ccccc1 ZINC000177835675 437200152 /nfs/dbraw/zinc/20/01/52/437200152.db2.gz WUHBMAXGQBGYSR-GOSISDBHSA-N 0 0 347.459 0.809 10 0 ECAERN O=C([C@H]1CC(=O)N(c2cn[nH]c2)C1)N1CCC(c2cc[nH]n2)CC1 ZINC000178261384 437209920 /nfs/dbraw/zinc/20/99/20/437209920.db2.gz VCUSATRBXMVZBE-LBPRGKRZSA-N 0 0 328.376 0.892 10 0 ECAERN CNC(=O)[C@H](NC(=O)N1CCN(C(=O)c2ccco2)CC1)C(C)C ZINC000178424551 437214326 /nfs/dbraw/zinc/21/43/26/437214326.db2.gz VKFVFTOHDTZTRN-CYBMUJFWSA-N 0 0 336.392 0.518 10 0 ECAERN COc1nc(N2CCC[C@](O)(C(N)=O)C2)ncc1Br ZINC000311984045 437169986 /nfs/dbraw/zinc/16/99/86/437169986.db2.gz OZGPSULNPMFPIV-LLVKDONJSA-N 0 0 331.170 0.064 10 0 ECAERN CNC(=O)[C@H](NC(=O)Cc1c(C)nc2cc(=O)[nH]n2c1C)C(C)C ZINC000178862087 437236187 /nfs/dbraw/zinc/23/61/87/437236187.db2.gz PCZYULUCSMGOPF-OAHLLOKOSA-N 0 0 333.392 0.069 10 0 ECAERN CCn1cnnc1[C@@H]1CN(C(=O)[C@H](C)N2CCSCC2)CCO1 ZINC000328615991 437239992 /nfs/dbraw/zinc/23/99/92/437239992.db2.gz BGYZDFFZPXZVPC-STQMWFEESA-N 0 0 339.465 0.635 10 0 ECAERN CCN1C[C@H](C(=O)N2CCN(CC)[C@H](c3nccn3C)C2)CC1=O ZINC000328634593 437243142 /nfs/dbraw/zinc/24/31/42/437243142.db2.gz UFVSOZVJZVXQIS-KGLIPLIRSA-N 0 0 333.436 0.494 10 0 ECAERN CN(C[C@@H]1CN(C(=O)C2=COCCC2)CCO1)c1nccn(C)c1=O ZINC000328631916 437243362 /nfs/dbraw/zinc/24/33/62/437243362.db2.gz KYKIVZQZXHCXBO-CQSZACIVSA-N 0 0 348.403 0.138 10 0 ECAERN O=C(Nc1cccnc1Cl)C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000179783532 437273640 /nfs/dbraw/zinc/27/36/40/437273640.db2.gz VHNBRHUCJIGXLZ-NSHDSACASA-N 0 0 338.795 0.607 10 0 ECAERN C[C@@H](NC[C@@H](O)CN1CCCC1=O)c1cn(-c2ccccc2)nn1 ZINC000180441629 437290910 /nfs/dbraw/zinc/29/09/10/437290910.db2.gz JZFPUCUDSHMCGX-UKRRQHHQSA-N 0 0 329.404 0.901 10 0 ECAERN CCCc1cnc(NC(=O)NC[C@@H](O)CN2CCOCC2)s1 ZINC000180807658 437301928 /nfs/dbraw/zinc/30/19/28/437301928.db2.gz IYNHONQLMKTKSF-LLVKDONJSA-N 0 0 328.438 0.910 10 0 ECAERN c1cnn(C[C@H]2CN(Cc3cn(Cc4cccnc4)nn3)CCO2)c1 ZINC000183059666 437372532 /nfs/dbraw/zinc/37/25/32/437372532.db2.gz HNTHRMJIEVCXAC-QGZVFWFLSA-N 0 0 339.403 0.819 10 0 ECAERN CC(C)c1nnc2n1C[C@H](NC(=O)N1CCC3(C1)OCCO3)CC2 ZINC000181714542 437328804 /nfs/dbraw/zinc/32/88/04/437328804.db2.gz RVKFFDAMLOGAEU-GFCCVEGCSA-N 0 0 335.408 0.875 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)N[C@@H]2CC(=O)N(C(C)(C)C)C2)CC1 ZINC000181926468 437332175 /nfs/dbraw/zinc/33/21/75/437332175.db2.gz RFYKZIZCVBFDLA-KGLIPLIRSA-N 0 0 340.468 0.484 10 0 ECAERN CCNC(=O)C(C)(C)CNC(=O)N1CCN(C[C@@H](O)CC)CC1 ZINC000182024232 437334998 /nfs/dbraw/zinc/33/49/98/437334998.db2.gz XXADOOAGWKIXDM-ZDUSSCGKSA-N 0 0 328.457 0.247 10 0 ECAERN Cn1c2ncn(CCN3CCO[C@@H]4CCCC[C@@H]43)c2c(=O)n(C)c1=O ZINC000182051530 437337756 /nfs/dbraw/zinc/33/77/56/437337756.db2.gz ONDFRUOVXCEYFE-QWHCGFSZSA-N 0 0 347.419 0.077 10 0 ECAERN C[C@@H](NC(N)=O)C(=O)NCCCc1nc(-c2ccc(F)cc2)no1 ZINC000184594014 437406333 /nfs/dbraw/zinc/40/63/33/437406333.db2.gz LNZYWQNAUJVTPB-SECBINFHSA-N 0 0 335.339 0.981 10 0 ECAERN Nc1nc(CN2C[C@@H](O)C[C@@H]2CO)nc(Nc2ccc(F)cc2)n1 ZINC000184718881 437412124 /nfs/dbraw/zinc/41/21/24/437412124.db2.gz UTBKZFIOKPYKLH-NEPJUHHUSA-N 0 0 334.355 0.264 10 0 ECAERN COCC(=O)NC1CN(C(=O)c2cnn(-c3ccccc3)c2C)C1 ZINC000185260349 437431765 /nfs/dbraw/zinc/43/17/65/437431765.db2.gz HMGMRQIBSUHMBI-UHFFFAOYSA-N 0 0 328.372 0.768 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)NCCc2cccc(C(N)=O)c2)CC1 ZINC000185044416 437421944 /nfs/dbraw/zinc/42/19/44/437421944.db2.gz PIZYSMQEWVOGTM-INIZCTEOSA-N 0 0 348.447 0.426 10 0 ECAERN COCC(=O)NC1CN(C[C@@H](O)COc2ccccc2Cl)C1 ZINC000185091161 437424046 /nfs/dbraw/zinc/42/40/46/437424046.db2.gz VVSZKGYJLPSKQT-GFCCVEGCSA-N 0 0 328.796 0.527 10 0 ECAERN COCC(=O)NC1CN(C[C@H](O)COCc2ccccc2F)C1 ZINC000185088651 437425317 /nfs/dbraw/zinc/42/53/17/437425317.db2.gz PHWQFQLHFDBGIF-AWEZNQCLSA-N 0 0 326.368 0.150 10 0 ECAERN CC[C@@H]1CN(C(=O)Cc2nnc(NC)s2)CC[N@@H+]1CCOC ZINC000183675902 437387856 /nfs/dbraw/zinc/38/78/56/437387856.db2.gz HMRFBVYXDSTAEB-LLVKDONJSA-N 0 0 327.454 0.692 10 0 ECAERN CN1CCO[C@H](CNS(=O)(=O)c2cnn(CC(F)(F)F)c2)C1 ZINC000184275410 437399819 /nfs/dbraw/zinc/39/98/19/437399819.db2.gz JEJSYMRXYCBPSI-SECBINFHSA-N 0 0 342.343 0.054 10 0 ECAERN COCC(=O)NC1CN(C(=O)CCC(=O)c2ccc(F)cc2F)C1 ZINC000185287193 437434864 /nfs/dbraw/zinc/43/48/64/437434864.db2.gz PPOUZFNTPMCYPP-UHFFFAOYSA-N 0 0 340.326 0.901 10 0 ECAERN COCC(=O)NC1CN(C(=O)NCc2cn(C)nc2C(F)(F)F)C1 ZINC000185703910 437450050 /nfs/dbraw/zinc/45/00/50/437450050.db2.gz FZWQNWGSWWMAIQ-UHFFFAOYSA-N 0 0 349.313 0.095 10 0 ECAERN C[C@H]1CN(S(=O)(=O)c2ccc(N)cc2)C[C@@H]1N1CCOCC1 ZINC000186163330 437462962 /nfs/dbraw/zinc/46/29/62/437462962.db2.gz BJLGKFCMEGKQIJ-WFASDCNBSA-N 0 0 325.434 0.610 10 0 ECAERN Cn1nccc1NC(=O)C(=O)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000186266374 437468240 /nfs/dbraw/zinc/46/82/40/437468240.db2.gz OHMVWFGHCKKTOE-RYUDHWBXSA-N 0 0 334.401 0.655 10 0 ECAERN COCC(=O)NC1CN(C(=O)c2ccc(-n3cncn3)cc2C)C1 ZINC000186313603 437469042 /nfs/dbraw/zinc/46/90/42/437469042.db2.gz WEOQOGRVFRYRFF-UHFFFAOYSA-N 0 0 329.360 0.163 10 0 ECAERN CNS(=O)(=O)CCNC(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000187296669 437498422 /nfs/dbraw/zinc/49/84/22/437498422.db2.gz GKMYZIWMOJWRCK-BDAKNGLRSA-N 0 0 331.360 0.956 10 0 ECAERN O=C(NC1CN(C(=O)N[C@@H]2CCN(c3ncccc3F)C2)C1)C1CC1 ZINC000187514685 437504714 /nfs/dbraw/zinc/50/47/14/437504714.db2.gz FHDXKZMHGXHMHW-GFCCVEGCSA-N 0 0 347.394 0.719 10 0 ECAERN C[C@H](CS(C)(=O)=O)C(=O)N1C[C@H](CO)[C@H](c2ccsc2)C1 ZINC000187615372 437507052 /nfs/dbraw/zinc/50/70/52/437507052.db2.gz BLWZOECNSANJHK-RTXFEEFZSA-N 0 0 331.459 0.963 10 0 ECAERN C[C@@H]1C(=O)NCCCN1C(=O)CS(=O)(=O)c1ccc(Cl)cc1 ZINC000188094662 437524419 /nfs/dbraw/zinc/52/44/19/437524419.db2.gz FREWLTQVUJFDQN-SNVBAGLBSA-N 0 0 344.820 0.851 10 0 ECAERN C[C@H](NC(=O)CN1C[C@H](CO)[C@H](c2ccsc2)C1)C(=O)N(C)C ZINC000188080965 437525340 /nfs/dbraw/zinc/52/53/40/437525340.db2.gz KCBKJESENDOBEC-YUTCNCBUSA-N 0 0 339.461 0.349 10 0 ECAERN CN(C)C(=O)C1(CNC(=O)N2CC(NC(=O)C3CC3)C2)CCCC1 ZINC000187100541 437491997 /nfs/dbraw/zinc/49/19/97/437491997.db2.gz XWHYANIQLYRCHW-UHFFFAOYSA-N 0 0 336.436 0.555 10 0 ECAERN O=C(Cc1cccc(F)c1)NCC(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188473427 437550792 /nfs/dbraw/zinc/55/07/92/437550792.db2.gz FPZMMPDAYPDEMN-UHFFFAOYSA-N 0 0 347.390 0.612 10 0 ECAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000188468292 437551450 /nfs/dbraw/zinc/55/14/50/437551450.db2.gz KZHBYHWBYOBYMY-BZUAXINKSA-N 0 0 337.395 0.526 10 0 ECAERN COCC(=O)NC1CN(C(=O)C[C@H](O)c2ccc(Cl)cc2)C1 ZINC000189200844 437586853 /nfs/dbraw/zinc/58/68/53/437586853.db2.gz MOEHJWUFOUAXTB-ZDUSSCGKSA-N 0 0 326.780 0.737 10 0 ECAERN O=S(=O)(Cc1ccn(-c2ccc(F)cc2F)n1)C[C@@H](O)CO ZINC000191983730 437659338 /nfs/dbraw/zinc/65/93/38/437659338.db2.gz WJSNPHCRMCMUBS-NSHDSACASA-N 0 0 332.328 0.419 10 0 ECAERN C[C@@H](O)CN1CCN(C(=O)c2cc(Br)nn2C)C[C@H]1C ZINC000192136072 437667853 /nfs/dbraw/zinc/66/78/53/437667853.db2.gz JFACAGLNRBAMFM-NXEZZACHSA-N 0 0 345.241 0.710 10 0 ECAERN Cc1cc(=O)[nH]c([C@H](C)N2CCN(c3ccc4nncn4n3)CC2)n1 ZINC000192574693 437683051 /nfs/dbraw/zinc/68/30/51/437683051.db2.gz QLHFLAPWBOVRGB-LBPRGKRZSA-N 0 0 340.391 0.812 10 0 ECAERN C[C@H](NC(=O)N1CCN(C(=O)Cn2cnnn2)CC1)c1cccs1 ZINC000193083393 437702057 /nfs/dbraw/zinc/70/20/57/437702057.db2.gz YJIOMMVIIICVRG-NSHDSACASA-N 0 0 349.420 0.350 10 0 ECAERN COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1S(=O)(=O)[C@H](C)C(=O)N(C)C ZINC000365116438 437860028 /nfs/dbraw/zinc/86/00/28/437860028.db2.gz JXTKOXGVUSIQKU-XQHKEYJVSA-N 0 0 346.449 0.599 10 0 ECAERN CO[C@@H]1[C@@H](C)[C@H](NC(=O)[C@H]2C[C@H](OC)CN2S(C)(=O)=O)C1(C)C ZINC000365541635 437929648 /nfs/dbraw/zinc/92/96/48/437929648.db2.gz UTOLWWYLDLUUCP-IEECTRCBSA-N 0 0 348.465 0.211 10 0 ECAERN CCCCN1CCOC[C@H]1C(=O)N1CC[C@H](C)S(=O)(=O)CC1 ZINC000365309884 437892672 /nfs/dbraw/zinc/89/26/72/437892672.db2.gz PQJDDHOKVRRDCP-KBPBESRZSA-N 0 0 332.466 0.523 10 0 ECAERN COCCN1CCN(C(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)C[C@@H]1C ZINC000371739604 437985158 /nfs/dbraw/zinc/98/51/58/437985158.db2.gz OATMWLDBDUKRTI-HEHGZKQESA-N 0 0 341.477 0.620 10 0 ECAERN CCN1CCN(C(=O)N[C@H]2CCN(C)C2=O)C[C@@H]1c1nccn1C ZINC000583621099 439487658 /nfs/dbraw/zinc/48/76/58/439487658.db2.gz GZFUZPUOHAFCGH-QWHCGFSZSA-N 0 0 334.424 0.039 10 0 ECAERN CC(=O)N[C@H]1CC[C@H](C(F)(F)F)N(C(=O)C2=NN(C)C(=O)CC2)C1 ZINC000583621136 439488432 /nfs/dbraw/zinc/48/84/32/439488432.db2.gz AWACBNFRZLJYDI-GXSJLCMTSA-N 0 0 348.325 0.653 10 0 ECAERN Cc1ccc2ncnc(N3CCN4CCS(=O)(=O)C[C@H]4C3)c2c1 ZINC000583650864 439495657 /nfs/dbraw/zinc/49/56/57/439495657.db2.gz DWPCZSOPJCACHU-CYBMUJFWSA-N 0 0 332.429 0.857 10 0 ECAERN COC(CO[C@H]1O[C@H](COC(C)C)[C@@H](OC)[C@H](OC)[C@@H]1O)OC ZINC000584591604 439603124 /nfs/dbraw/zinc/60/31/24/439603124.db2.gz KVNKSAGBWGLWNP-RCSLCFTFSA-N 0 0 338.397 0.163 10 0 ECAERN NS(=O)(=O)c1cccc(-c2ccnc(CO)c2)c1-c1nn[nH]n1 ZINC000584596444 439603260 /nfs/dbraw/zinc/60/32/60/439603260.db2.gz DOSDOLFANUSZOE-UHFFFAOYSA-N 0 0 332.345 0.068 10 0 ECAERN Nc1ncc(-c2cc3ccccc3o2)nc1C(=O)NC[C@@H](O)CO ZINC000584661695 439607628 /nfs/dbraw/zinc/60/76/28/439607628.db2.gz HYFRGTJIUFJVJE-SNVBAGLBSA-N 0 0 328.328 0.555 10 0 ECAERN NC(=O)c1cccc([C@H]2c3ccccc3CCN2S(N)(=O)=O)c1 ZINC000616679507 439820990 /nfs/dbraw/zinc/82/09/90/439820990.db2.gz CAEYWEKAHYPLFI-HNNXBMFYSA-N 0 0 331.397 0.937 10 0 ECAERN CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H](O)[C@H]1n1cccn1 ZINC000616775152 439822181 /nfs/dbraw/zinc/82/21/81/439822181.db2.gz ATSXLEJRHHUNSO-NIFZNCRKSA-N 0 0 345.403 0.668 10 0 ECAERN CO[C@@H]1C[C@@H](c2nc[nH]n2)N(C(=O)Nc2ccc3ncnn3c2)C1 ZINC000644445590 440595352 /nfs/dbraw/zinc/59/53/52/440595352.db2.gz VADJWBNCBNHCTB-MNOVXSKESA-N 0 0 328.336 0.841 10 0 ECAERN O=C(CN1CCCC[C@@H](O)C1=O)NCC1(c2ccccn2)CCC1 ZINC000644478057 440616026 /nfs/dbraw/zinc/61/60/26/440616026.db2.gz DNLSSIJBKHBOPV-CQSZACIVSA-N 0 0 331.416 0.993 10 0 ECAERN O=C(CNC(=O)c1ccc(Br)o1)N[C@@H]1CCOC[C@H]1O ZINC000629218788 440635042 /nfs/dbraw/zinc/63/50/42/440635042.db2.gz UWWDGOFIXILMGP-HTQZYQBOSA-N 0 0 347.165 0.038 10 0 ECAERN Cc1ccc(Br)cc1S(=O)(=O)N[C@@H]1CCNC1=O ZINC000657029946 440927519 /nfs/dbraw/zinc/92/75/19/440927519.db2.gz JYIKECHGNVMYIU-SECBINFHSA-N 0 0 333.207 0.924 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)C(=O)NCc2ccc(F)cc2)CC1 ZINC000173585688 320518239 /nfs/dbraw/zinc/51/82/39/320518239.db2.gz HZDBEERFWAKNOJ-HNNXBMFYSA-N 0 0 337.395 0.357 10 0 ECAERN CCN(CC1CC1)S(=O)(=O)N1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000183893860 320533330 /nfs/dbraw/zinc/53/33/30/320533330.db2.gz WQJPSBDNQCQQQC-OAHLLOKOSA-N 0 0 342.465 0.869 10 0 ECAERN CO[C@H]1C[C@@H](C(N)=O)N(C(=O)c2ccncc2Br)C1 ZINC000284718241 320633426 /nfs/dbraw/zinc/63/34/26/320633426.db2.gz ZLLFKYVWMSAVGZ-XVKPBYJWSA-N 0 0 328.166 0.559 10 0 ECAERN C[C@@H](CC(=O)N1CC[C@@H](C)S(=O)(=O)CC1)N1CCCCC1=O ZINC000328737811 320730006 /nfs/dbraw/zinc/73/00/06/320730006.db2.gz HFBZEWDBBZYLKI-QWHCGFSZSA-N 0 0 330.450 0.813 10 0 ECAERN O=C(Cc1ccccc1)N1CC[C@H](NS(=O)(=O)N2CCCC2)C1 ZINC000328832444 320735500 /nfs/dbraw/zinc/73/55/00/320735500.db2.gz KTIOKTBYNGYATH-HNNXBMFYSA-N 0 0 337.445 0.760 10 0 ECAERN O=C(NCCC1(O)CCOCC1)c1cccc(C(=O)N2CCCC2)n1 ZINC000329268463 320762996 /nfs/dbraw/zinc/76/29/96/320762996.db2.gz GPRLBPOMPFVWPK-UHFFFAOYSA-N 0 0 347.415 0.979 10 0 ECAERN Cc1cc(C)n(C[C@H]2CN(C(=O)[C@@H](C)N3CCOCC3)CCO2)n1 ZINC000329393559 320769723 /nfs/dbraw/zinc/76/97/23/320769723.db2.gz WGHOMNSZXADDOL-HZPDHXFCSA-N 0 0 336.436 0.448 10 0 ECAERN O=C(C1CCCC1)N1CCC[C@H]1C(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000329455799 320773279 /nfs/dbraw/zinc/77/32/79/320773279.db2.gz PZCNJBITVUZZLP-QWHCGFSZSA-N 0 0 348.403 0.771 10 0 ECAERN CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)c1cnn2ccncc12 ZINC000329616020 320781439 /nfs/dbraw/zinc/78/14/39/320781439.db2.gz DKEMVOZSUJWTPD-NSHDSACASA-N 0 0 337.405 0.273 10 0 ECAERN COCCN(C(=O)Cc1nc2nc(C)cc(C)n2n1)[C@H]1CCOC1 ZINC000329946438 320797120 /nfs/dbraw/zinc/79/71/20/320797120.db2.gz JPVXDQSBZVNXSY-ZDUSSCGKSA-N 0 0 333.392 0.548 10 0 ECAERN Cc1cc(N2CCN([C@H]3CCN(C4CC4)C3=O)CC2)n2ncnc2n1 ZINC000330162192 320808077 /nfs/dbraw/zinc/80/80/77/320808077.db2.gz UIWZFJPZONWELX-AWEZNQCLSA-N 0 0 341.419 0.318 10 0 ECAERN COC(=O)[C@H]1CCC[C@@H]1S(=O)(=O)N1CCN(C2CCC2)CC1 ZINC000378687499 321885984 /nfs/dbraw/zinc/88/59/84/321885984.db2.gz WVHJYHHTUWMPKZ-KBPBESRZSA-N 0 0 330.450 0.828 10 0 ECAERN C[C@H]1CN(C(=O)c2ccccc2-n2cnnn2)C[C@H]1N1CCOCC1 ZINC000173957964 533885524 /nfs/dbraw/zinc/88/55/24/533885524.db2.gz XOMTXVJVTGPNNO-XJKSGUPXSA-N 0 0 342.403 0.455 10 0 ECAERN Cc1cc(N2CCC[C@H](NC(=O)N(C)CC3(CO)CC3)C2=O)n(C)n1 ZINC000187230205 533896244 /nfs/dbraw/zinc/89/62/44/533896244.db2.gz IVNXXKQQDUWIFX-ZDUSSCGKSA-N 0 0 349.435 0.638 10 0 ECAERN Cc1cc(NC(=O)C(=O)N2CC(NC(=O)C3CC3)C2)ccc1N(C)C ZINC000187983513 533923248 /nfs/dbraw/zinc/92/32/48/533923248.db2.gz OJRPSIDDYANMHY-UHFFFAOYSA-N 0 0 344.415 0.737 10 0 ECAERN CC(=O)c1ccc(OC[C@H](O)CN2CC(NC(=O)C3CC3)C2)cc1 ZINC000187982469 527328385 /nfs/dbraw/zinc/32/83/85/527328385.db2.gz PVDSJCKPJLELNY-MRXNPFEDSA-N 0 0 332.400 0.839 10 0 ECAERN CCCc1cc(NC(=O)C(=O)N2CC(NC(=O)C3CCC3)C2)n(C)n1 ZINC000188017101 528602544 /nfs/dbraw/zinc/60/25/44/528602544.db2.gz BTXZORJXPCUGAM-UHFFFAOYSA-N 0 0 347.419 0.438 10 0 ECAERN O=C(NC[C@@H](O)CN1CCOCC1)c1c(F)c(F)cc(F)c1F ZINC000132531319 545793533 /nfs/dbraw/zinc/79/35/33/545793533.db2.gz BNHYVPCKRFYMLF-MRVPVSSYSA-N 0 0 336.285 0.666 10 0 ECAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)[C@H]1CCCN1S(C)(=O)=O ZINC000176673435 545871337 /nfs/dbraw/zinc/87/13/37/545871337.db2.gz AWYLQGLSBFFBDV-WDEREUQCSA-N 0 0 341.437 0.216 10 0 ECAERN C[C@@H](C(=O)N[C@@H]1CCCn2ncnc21)N1C(=O)c2ccccc2C1=O ZINC000177572456 545874085 /nfs/dbraw/zinc/87/40/85/545874085.db2.gz VIYRQJWRFBCLBJ-GXFFZTMASA-N 0 0 339.355 0.914 10 0 ECAERN O=C(Nc1cnc(C2CC2)nc1)C(=O)N1CCN2CCCC[C@H]2C1 ZINC000177402876 545874194 /nfs/dbraw/zinc/87/41/94/545874194.db2.gz NTHFRGDIQUTDDN-AWEZNQCLSA-N 0 0 329.404 0.989 10 0 ECAERN CC(C)CO[C@@H](C)c1noc(CN(C)C(=O)[C@@H]2COCCN2)n1 ZINC000236635017 545925932 /nfs/dbraw/zinc/92/59/32/545925932.db2.gz IXAHBRGZLDIHAU-RYUDHWBXSA-N 0 0 326.397 0.750 10 0 ECAERN O=C(c1ccc2[nH][nH]c(=O)c2c1)N1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000668378273 547640317 /nfs/dbraw/zinc/64/03/17/547640317.db2.gz NXTFIYGSTIVWTP-HUUCEWRRSA-N 0 0 330.388 0.940 10 0 ECAERN [NH3+][C@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)[O-] ZINC000005273983 571688596 /nfs/dbraw/zinc/68/85/96/571688596.db2.gz JAQGKXUEKGKTKX-HZPDHXFCSA-N 0 0 344.367 0.780 10 0 endogenous,in-man ECAERN O=S(=O)(CCC(F)(F)F)N1CCC[C@](O)(c2cn[nH]n2)C1 ZINC000793894260 578564544 /nfs/dbraw/zinc/56/45/44/578564544.db2.gz GTKOJGZLWHCQRT-SECBINFHSA-N 0 0 328.316 0.370 10 0 ECAERN CO[C@H]1CCCCN(CC(=O)N2CCN(c3cnccn3)CC2)C1=O ZINC000888076264 586245333 /nfs/dbraw/zinc/24/53/33/586245333.db2.gz RAMCDCQZWCWUDL-AWEZNQCLSA-N 0 0 347.419 0.153 10 0 ECAERN O=C(c1cn([C@@H]2COC[C@H]2O)nn1)N1CCOc2c(F)cccc2C1 ZINC000888093687 586348679 /nfs/dbraw/zinc/34/86/79/586348679.db2.gz OBJJLMJONJAFIV-ZIAGYGMSSA-N 0 0 348.334 0.384 10 0 ECAERN CN1C(=O)CS/C1=C/C(=O)N1CC[C@H](n2cc(C3CC3)nn2)C1 ZINC000899090395 586469818 /nfs/dbraw/zinc/46/98/18/586469818.db2.gz YOOZJMQLLZUIOA-DMSFABOWSA-N 0 0 333.417 0.976 10 0 ECAERN C=CC(=O)N(CC)CC(=O)N1CCCN(Cc2nccn2C)CC1 ZINC000900594831 586645443 /nfs/dbraw/zinc/64/54/43/586645443.db2.gz SOOYCPIYNPFMNI-UHFFFAOYSA-N 0 0 333.436 0.489 10 0 ECAERN CC(C)(C)OC(=O)[C@]1(C(=O)N2CC(NC(=O)C3CC3)C2)CCCO1 ZINC000907523780 586727964 /nfs/dbraw/zinc/72/79/64/586727964.db2.gz YNYJKNQYJUAACL-QGZVFWFLSA-N 0 0 338.404 0.614 10 0 ECAERN Cc1nc([C@H]2CN(C(=O)CN3CSCCSC3)CCO2)no1 ZINC000907255875 587030221 /nfs/dbraw/zinc/03/02/21/587030221.db2.gz DZGPDXAVCPUCLX-LLVKDONJSA-N 0 0 344.462 0.975 10 0 ECAERN Cc1noc(COC2CN(C(=O)[C@@H]3Cc4ccccc4C(=O)O3)C2)n1 ZINC000818660074 587444097 /nfs/dbraw/zinc/44/40/97/587444097.db2.gz FTMKBXYWOFIHRT-AWEZNQCLSA-N 0 0 343.339 0.887 10 0 ECAERN Cc1nn(CN2C[C@@H](C)O[C@@H](C(N)=O)C2)c(C)c1Br ZINC000120186947 590094824 /nfs/dbraw/zinc/09/48/24/590094824.db2.gz ICKYRISZQICACA-GMSGAONNSA-N 0 0 331.214 0.795 10 0 ECAERN C[C@@H]1CN(Cn2nc(-c3ccncc3)n(C)c2=S)C[C@@H](C(N)=O)O1 ZINC000120315804 590117547 /nfs/dbraw/zinc/11/75/47/590117547.db2.gz VDYSCARMOOZYFU-PWSUYJOCSA-N 0 0 348.432 0.545 10 0 ECAERN Cn1c(Cn2c(Cl)nc3c2c(=O)n(C)c(=O)n3C)nnc1C1CC1 ZINC000130455802 590596204 /nfs/dbraw/zinc/59/62/04/590596204.db2.gz YUVFUNPQAZJZFD-UHFFFAOYSA-N 0 0 349.782 0.141 10 0 ECAERN Cc1nccn1C[C@@H]1CCCN1Cn1nnc2c(cnn2C)c1=O ZINC000132761012 590663213 /nfs/dbraw/zinc/66/32/13/590663213.db2.gz VXBJFZYIGOQHAU-LBPRGKRZSA-N 0 0 328.380 0.152 10 0 ECAERN COc1cncc(C(=O)NC[C@@H]2OCCN(C)[C@H]2c2ccnn2C)n1 ZINC000886027134 590787139 /nfs/dbraw/zinc/78/71/39/590787139.db2.gz HNSRVLNWMIPFOC-ZFWWWQNUSA-N 0 0 346.391 0.020 10 0 ECAERN CCN1CCO[C@@H](CNC(=O)c2cn(C)cn2)[C@@H]1c1ccnn1C ZINC000886066096 590789935 /nfs/dbraw/zinc/78/99/35/590789935.db2.gz HTLRGZAPEFWVHY-GJZGRUSLSA-N 0 0 332.408 0.345 10 0 ECAERN O=C([O-])[C@]1([NH+]2CCN(C(=O)CCc3ccccn3)CC2)CCOC1 ZINC000886077568 590790775 /nfs/dbraw/zinc/79/07/75/590790775.db2.gz KPMFXCGIBFTLEA-KRWDZBQOSA-N 0 0 333.388 0.402 10 0 ECAERN Cc1ccc(F)cc1C(=O)N1CCN([C@]2(C(N)=O)CCOC2)CC1 ZINC000886077638 590791709 /nfs/dbraw/zinc/79/17/09/590791709.db2.gz MZKLWSQQKKMOON-QGZVFWFLSA-N 0 0 335.379 0.536 10 0 ECAERN Cc1ccccc1CC(=O)N1CCN([C@]2(C(N)=O)CCOC2)CC1 ZINC000886077816 590791865 /nfs/dbraw/zinc/79/18/65/590791865.db2.gz PXHPSYXNKDCHCT-GOSISDBHSA-N 0 0 331.416 0.326 10 0 ECAERN Cc1ccnc(C(=O)NC[C@H]2CCC(=O)N(C)[C@@H]2c2cnn(C)c2)n1 ZINC000886081968 590792533 /nfs/dbraw/zinc/79/25/33/590792533.db2.gz NHWVWBZZEGSURQ-DOMZBBRYSA-N 0 0 342.403 0.858 10 0 ECAERN O=C(N[C@@H]1C[C@@H](O)C12CCOCC2)c1cnn(-c2cccnc2)c1 ZINC000887012298 590923344 /nfs/dbraw/zinc/92/33/44/590923344.db2.gz HPUZWGLWCWLWQM-HUUCEWRRSA-N 0 0 328.372 0.927 10 0 ECAERN CCS(=O)(=O)C1CCN(CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)CC1 ZINC000194356039 608608976 /nfs/dbraw/zinc/60/89/76/608608976.db2.gz HCZGPAGMZCNABL-KBPBESRZSA-N 0 0 340.445 0.794 10 0 ECAERN CC(=O)N[C@H]1CCCN(Cn2cc(C)n(-c3cc(C)on3)c2=O)C1 ZINC000067366630 608752574 /nfs/dbraw/zinc/75/25/74/608752574.db2.gz MPXOZBLVKYKUQQ-AWEZNQCLSA-N 0 0 333.392 0.802 10 0 ECAERN CCCn1cc(NC(=O)C(=O)N2CCO[C@@H](Cn3cccn3)C2)cn1 ZINC000158377561 608827241 /nfs/dbraw/zinc/82/72/41/608827241.db2.gz IBQREGNCFRTXPU-CQSZACIVSA-N 0 0 346.391 0.356 10 0 ECAERN O=S(=O)(c1cncc(Br)c1)N1CCOC[C@H]1CO ZINC000168666752 609031783 /nfs/dbraw/zinc/03/17/83/609031783.db2.gz LGQGFAAHUWEUAM-SECBINFHSA-N 0 0 337.195 0.226 10 0 ECAERN CCS(=O)(=O)N1CCN(C(=O)c2cnc3nsnc3c2)CC1 ZINC000222601671 609098466 /nfs/dbraw/zinc/09/84/66/609098466.db2.gz UVCXULDBPIPBTG-UHFFFAOYSA-N 0 0 341.418 0.194 10 0 ECAERN C/C=C/[C@H](O)C(=O)N1C[C@@H](COCC(=O)N(C)C)OC(C)(C)C1 ZINC000908089188 609642828 /nfs/dbraw/zinc/64/28/28/609642828.db2.gz GINAUHUTAWMZFJ-XKZLPGLHSA-N 0 0 328.409 0.034 10 0 ECAERN CN1C(=O)CC[C@H](C(=O)NC2CC(CO)(CO)C2)[C@H]1c1ccccc1 ZINC000913314394 609665290 /nfs/dbraw/zinc/66/52/90/609665290.db2.gz KBAYYRBTUSLMLB-DOTOQJQBSA-N 0 0 346.427 0.846 10 0 ECAERN CCN1CCN(C(=O)CCn2cncc(-c3nc(C)no3)c2=O)CC1 ZINC000222847184 609705123 /nfs/dbraw/zinc/70/51/23/609705123.db2.gz NSCZAOOEJMEJAD-UHFFFAOYSA-N 0 0 346.391 0.156 10 0 ECAERN CC(C)C[C@H]1Nc2ncnc(N[C@@H]3CCS(=O)(=O)C3)c2NC1=O ZINC000224011778 609716594 /nfs/dbraw/zinc/71/65/94/609716594.db2.gz YCNLNMCTZARTPP-NXEZZACHSA-N 0 0 339.421 0.854 10 0 ECAERN Cc1nc(N[C@H]2CCS(=O)(=O)C2)c2c(n1)N[C@@H](C(C)C)C(=O)N2 ZINC000224029408 609717082 /nfs/dbraw/zinc/71/70/82/609717082.db2.gz HLWBPTRZFYKVKP-UWVGGRQHSA-N 0 0 339.421 0.773 10 0 ECAERN O=C(C[C@@H]1CS(=O)(=O)CCN1)NCCc1ccc(Cl)s1 ZINC000226423650 609734540 /nfs/dbraw/zinc/73/45/40/609734540.db2.gz PPMWYWBHYTUOGH-SECBINFHSA-N 0 0 336.866 0.837 10 0 ECAERN Cc1ncc(CN2CCN(CC(=O)N3CCO[C@@H](C)C3)CC2)s1 ZINC000171556540 609761527 /nfs/dbraw/zinc/76/15/27/609761527.db2.gz SPGBWSRLLLPRIX-ZDUSSCGKSA-N 0 0 338.477 0.816 10 0 ECAERN O=C(C[C@H]1CS(=O)(=O)CCN1)Nc1ccc(Br)nc1 ZINC000232477788 609790709 /nfs/dbraw/zinc/79/07/09/609790709.db2.gz QCMITCQXUDFBGQ-VIFPVBQESA-N 0 0 348.222 0.559 10 0 ECAERN CCS(=O)(=O)CCN(C)Cn1cnc2c1ncnc2NC(C)C ZINC000152428378 609855002 /nfs/dbraw/zinc/85/50/02/609855002.db2.gz SFOAILVXGIJAOV-UHFFFAOYSA-N 0 0 340.453 0.971 10 0 ECAERN CC(C)C[C@H]1NC(=O)N(CN2CCO[C@H](Cn3cccn3)C2)C1=O ZINC000152838442 609883003 /nfs/dbraw/zinc/88/30/03/609883003.db2.gz KBBNBIZJOAZSHG-UONOGXRCSA-N 0 0 335.408 0.508 10 0 ECAERN CC[C@@]1(C(C)C)NC(=O)N(CN2CCO[C@H](Cn3cccn3)C2)C1=O ZINC000152842304 609884028 /nfs/dbraw/zinc/88/40/28/609884028.db2.gz PSPFHIPTXGQAGQ-YOEHRIQHSA-N 0 0 349.435 0.898 10 0 ECAERN O=C1c2ccccc2C(=O)N1CN1CCO[C@H](Cn2cccn2)C1 ZINC000152842889 609884441 /nfs/dbraw/zinc/88/44/41/609884441.db2.gz IAZRKLKLRRXYNF-ZDUSSCGKSA-N 0 0 326.356 0.838 10 0 ECAERN Cc1nnc2n1C[C@@H](C(=O)N1NC(=O)CC13CCCCCC3)N(C)C2 ZINC000912268531 609942681 /nfs/dbraw/zinc/94/26/81/609942681.db2.gz OURGUMKDPHJLQA-ZDUSSCGKSA-N 0 0 346.435 0.757 10 0 ECAERN C[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC000912754264 610003614 /nfs/dbraw/zinc/00/36/14/610003614.db2.gz CWHZLANOJHDQJS-RVMXOQNASA-N 0 0 328.409 0.898 10 0 ECAERN COc1cccc2c1OCCCN(C(=O)CC[C@H]1NC(=O)NC1=O)C2 ZINC000091644371 611294968 /nfs/dbraw/zinc/29/49/68/611294968.db2.gz WDWZDJMJIJHAMX-GFCCVEGCSA-N 0 0 347.371 0.795 10 0 ECAERN COCCNC(=O)CN1CCN(C[C@@](C)(O)c2ccccc2)CC1 ZINC000195231439 612357834 /nfs/dbraw/zinc/35/78/34/612357834.db2.gz RISQOPSHYKGPQF-GOSISDBHSA-N 0 0 335.448 0.274 10 0 ECAERN CC(C)[C@]1(C)NC(=O)N(CN2CCO[C@@H](Cn3cccn3)C2)C1=O ZINC000246950638 612536461 /nfs/dbraw/zinc/53/64/61/612536461.db2.gz FQFRGBOMLFLUQG-CJNGLKHVSA-N 0 0 335.408 0.508 10 0 ECAERN O=C1CCCN1C[C@H](O)CN1CCOC[C@H]1C[C@H](O)c1ccco1 ZINC000246012873 612762264 /nfs/dbraw/zinc/76/22/64/612762264.db2.gz LGITXMWBRVQFFV-KFWWJZLASA-N 0 0 338.404 0.387 10 0 ECAERN CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC(=O)N[C@@H]2CCOC2)C1 ZINC000716999833 734050989 /nfs/dbraw/zinc/05/09/89/734050989.db2.gz SFEUEWWKOLZMSE-QJPTWQEYSA-N 0 0 329.397 0.302 10 0 ECAERN O=C1[C@H](N2CCOC[C@@H]2[C@H]2CCC[C@@H]2O)CCN1C1CCOCC1 ZINC000328946199 752975414 /nfs/dbraw/zinc/97/54/14/752975414.db2.gz GKRXOPHKEURNTE-VQHPVUNQSA-N 0 0 338.448 0.628 10 0 ECAERN C[C@H]1COCCN1c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCO1 ZINC000329658367 755163972 /nfs/dbraw/zinc/16/39/72/755163972.db2.gz NJUJRGOSPJKFSL-KBPBESRZSA-N 0 0 349.435 0.918 10 0 ECAERN NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(N)cc1Br ZINC000037054001 201870600 /nfs/dbraw/zinc/87/06/00/201870600.db2.gz MDNPCIWUAWMYHH-SECBINFHSA-N 0 0 348.222 0.670 10 0 ECAERN CN1C(=O)CC[C@@H](C(=O)N2CCN(CCO)CC2)[C@H]1c1ccccc1 ZINC000087083879 282607490 /nfs/dbraw/zinc/60/74/90/282607490.db2.gz SSHTVRHNSQOIOC-SJLPKXTDSA-N 0 0 345.443 0.733 10 0 ECAERN Cn1cc([C@@H]2CCN(C(=O)NCCNC(=O)c3ccn[nH]3)C2)cn1 ZINC000181675304 234280076 /nfs/dbraw/zinc/28/00/76/234280076.db2.gz WHZUTICFMGHJQX-LLVKDONJSA-N 0 0 331.380 0.072 10 0 ECAERN Cn1cc(NC(=O)C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)ccc1=O ZINC000183135778 234915464 /nfs/dbraw/zinc/91/54/64/234915464.db2.gz YFGXFLUGHCEFFE-SJCJKPOMSA-N 0 0 333.388 0.477 10 0 ECAERN COCC(=O)NC1CN(C(=O)c2cnn(C)c2-n2c(C)ccc2C)C1 ZINC000185249894 235624585 /nfs/dbraw/zinc/62/45/85/235624585.db2.gz MEXBCHSBWQGFPA-UHFFFAOYSA-N 0 0 345.403 0.415 10 0 ECAERN C[C@H]1CN(C(=O)c2ccc3nnn(C)c3c2)C[C@@H]1N1CCOCC1 ZINC000185367773 235650698 /nfs/dbraw/zinc/65/06/98/235650698.db2.gz BQIMCANVCDDNMG-LRDDRELGSA-N 0 0 329.404 0.761 10 0 ECAERN CC(C)(C)NC(=O)CN1CCN(CC(=O)NCc2ccco2)CC1 ZINC000022934166 202095582 /nfs/dbraw/zinc/09/55/82/202095582.db2.gz QLPVCTIYVNXMPJ-UHFFFAOYSA-N 0 0 336.436 0.428 10 0 ECAERN CCc1noc([C@@H](C)N2CCN(C(=O)C(=O)Nc3ccon3)CC2)n1 ZINC000185804393 235755274 /nfs/dbraw/zinc/75/52/74/235755274.db2.gz UOQVFUYVPLWSHG-SNVBAGLBSA-N 0 0 348.363 0.464 10 0 ECAERN O=C(NC1CN(C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)C1)C1CC1 ZINC000187064749 236107536 /nfs/dbraw/zinc/10/75/36/236107536.db2.gz AUQCIUCAOIMUQI-OAHLLOKOSA-N 0 0 342.399 0.712 10 0 ECAERN COc1ccc(NC(=O)CSc2nncc(=O)n2N)cc1Cl ZINC000032521087 202226838 /nfs/dbraw/zinc/22/68/38/202226838.db2.gz ISEMYTLVAKGHKG-UHFFFAOYSA-N 0 0 341.780 0.745 10 0 ECAERN CCn1c(=O)c(C(=O)NC(C)C)nn(-c2ccc(C)c(F)c2)c1=O ZINC000036088750 202314455 /nfs/dbraw/zinc/31/44/55/202314455.db2.gz JKXAMORLBFKRJM-UHFFFAOYSA-N 0 0 334.351 1.000 10 0 ECAERN Cn1c2[nH]c(-c3cnn(Cc4ccccc4)c3)nc2c(=O)n(C)c1=O ZINC000036176564 202317102 /nfs/dbraw/zinc/31/71/02/202317102.db2.gz MCZMFSIUZOSVRA-UHFFFAOYSA-N 0 0 336.355 0.872 10 0 ECAERN COc1ccc([C@H]2C[C@@H](O)[C@@H](O)[C@@H]2NC(=O)C2CCOCC2)cc1 ZINC000072321563 202363311 /nfs/dbraw/zinc/36/33/11/202363311.db2.gz TXFZPBDEEKYJTC-QBPKDAKJSA-N 0 0 335.400 0.816 10 0 ECAERN C[NH+](C)CCCn1c(=O)c2sccc2n(CCC(=O)[O-])c1=O ZINC000073661396 202370792 /nfs/dbraw/zinc/37/07/92/202370792.db2.gz CTIRFHKLIKNAGG-UHFFFAOYSA-N 0 0 325.390 0.651 10 0 ECAERN O=C(NC1CN(C(=O)NCCc2cn3ccccc3n2)C1)C1CC1 ZINC000190113322 238223823 /nfs/dbraw/zinc/22/38/23/238223823.db2.gz JECYIOUTEOEKNL-UHFFFAOYSA-N 0 0 327.388 0.797 10 0 ECAERN CCN(Cc1ccccc1)C(=O)CNC(=O)NC[C@@H]1CN(C)CCO1 ZINC000104792095 201058468 /nfs/dbraw/zinc/05/84/68/201058468.db2.gz USBVVLGWWXINCM-MRXNPFEDSA-N 0 0 348.447 0.665 10 0 ECAERN CC(=O)N[C@@H]1CCCN(C(=O)Nc2cc(-n3cnnn3)ccc2F)C1 ZINC000102796188 201059107 /nfs/dbraw/zinc/05/91/07/201059107.db2.gz ZWZQDGWTNDQVSN-LLVKDONJSA-N 0 0 347.354 0.934 10 0 ECAERN CCn1cc(C2CCN(C(=O)[C@@H](C)NS(C)(=O)=O)CC2)cn1 ZINC000131890587 223280648 /nfs/dbraw/zinc/28/06/48/223280648.db2.gz CFAJFTQZXOLDJL-LLVKDONJSA-N 0 0 328.438 0.547 10 0 ECAERN C[C@@H](C(=O)N1CC[C@H](Oc2cccnc2N(C)C)C1)n1cncn1 ZINC000275585084 201285038 /nfs/dbraw/zinc/28/50/38/201285038.db2.gz JVKNQDIUQQHZJO-STQMWFEESA-N 0 0 330.392 0.980 10 0 ECAERN NC(=O)[C@]1(O)CCCN(C(=O)c2ccc(Br)cc2)C1 ZINC000285406159 201331406 /nfs/dbraw/zinc/33/14/06/201331406.db2.gz HEQUYYCAKKGXRO-ZDUSSCGKSA-N 0 0 327.178 0.902 10 0 ECAERN C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC[NH2+]1)C(=O)[O-] ZINC000013542012 201366455 /nfs/dbraw/zinc/36/64/55/201366455.db2.gz ZUZINZIJHJFJRN-UBHSHLNASA-N 0 0 333.388 0.055 10 0 ECAERN Cc1ccnc(-n2nccc2NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2O)c1 ZINC000192041932 239462836 /nfs/dbraw/zinc/46/28/36/239462836.db2.gz QVPLBSNIPLLOEW-OLZOCXBDSA-N 0 0 343.387 0.934 10 0 ECAERN Cc1cnn(C[C@@H]2CN(C(=O)C(=O)Nc3ccc(F)cn3)CCO2)c1 ZINC000193233156 240069561 /nfs/dbraw/zinc/06/95/61/240069561.db2.gz BYIQJQYGLCEWEG-ZDUSSCGKSA-N 0 0 347.350 0.592 10 0 ECAERN CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C=O)CC2)cc1 ZINC000001330378 201502574 /nfs/dbraw/zinc/50/25/74/201502574.db2.gz FYEYIEOEMKQMDK-UHFFFAOYSA-N 0 0 326.374 0.326 10 0 ECAERN COCCN(Cc1cccnc1)C(=O)NC[C@H](C)N1CCOCC1 ZINC000069767893 203046158 /nfs/dbraw/zinc/04/61/58/203046158.db2.gz OWJAVGIQSHMYEZ-HNNXBMFYSA-N 0 0 336.436 0.960 10 0 ECAERN Cc1nc(-c2cnccn2)nc(N2CC[NH+](CC(=O)[O-])CC2)c1C ZINC000070456648 203077011 /nfs/dbraw/zinc/07/70/11/203077011.db2.gz CJDLKHMOUACUKY-UHFFFAOYSA-N 0 0 328.376 0.757 10 0 ECAERN CNC(=O)c1ccc([C@H]2CN(C(=O)c3cnn(C)c3)CCO2)nc1 ZINC000072388072 203212462 /nfs/dbraw/zinc/21/24/62/203212462.db2.gz IOXLAPWPAGCQSZ-CQSZACIVSA-N 0 0 329.360 0.388 10 0 ECAERN CCOCc1nc2c(c(N[C@@H](C)c3n[nH]c(=O)[n-]3)n1)CC[NH2+]CC2 ZINC000072409068 203215808 /nfs/dbraw/zinc/21/58/08/203215808.db2.gz YMBZPTOGWXVXPE-VIFPVBQESA-N 0 0 333.396 0.286 10 0 ECAERN O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)NC[C@@H]1CCCC[C@@H]1O ZINC000077153291 203373458 /nfs/dbraw/zinc/37/34/58/203373458.db2.gz UDOANALIWNZQKT-WFASDCNBSA-N 0 0 345.399 0.747 10 0 ECAERN COc1cccc(C(=O)NCC(=O)N[C@@H]2CCCn3nc(C)nc32)c1 ZINC000083675491 203517870 /nfs/dbraw/zinc/51/78/70/203517870.db2.gz VOBSUZXKVABRCN-CQSZACIVSA-N 0 0 343.387 0.976 10 0 ECAERN Cc1c(C(=O)N2CCOC[C@H]2C(N)=O)nnn1-c1ccc(C)cc1 ZINC000180272612 291503981 /nfs/dbraw/zinc/50/39/81/291503981.db2.gz SBBNUJPETVVIQZ-ZDUSSCGKSA-N 0 0 329.360 0.210 10 0 ECAERN C[N@@H+](CC(=O)[O-])C[C@H]1CN(C(=O)[C@H]2COc3ccccc3C2)CCO1 ZINC000262867896 245222568 /nfs/dbraw/zinc/22/25/68/245222568.db2.gz CHSCGAHRXOIQCR-CABCVRRESA-N 0 0 348.399 0.482 10 0 ECAERN C[N@@H+](CC(=O)[O-])C[C@@H]1CN(C(=O)Cc2ccc3c(c2)CCC3)CCO1 ZINC000262931163 245256628 /nfs/dbraw/zinc/25/66/28/245256628.db2.gz MBKQSTHAIQPXMN-QGZVFWFLSA-N 0 0 346.427 0.962 10 0 ECAERN Cc1cc(C(=O)NCCCNc2ncnc3c2NC(=O)CN3)nn1C ZINC000041121549 204006967 /nfs/dbraw/zinc/00/69/67/204006967.db2.gz BFPPGXIFYMXKQD-UHFFFAOYSA-N 0 0 344.379 0.115 10 0 ECAERN CN(c1cccnn1)C1CCN(CC(=O)Nc2nncs2)CC1 ZINC000105807115 204163013 /nfs/dbraw/zinc/16/30/13/204163013.db2.gz DSEJEHJENTXHRB-UHFFFAOYSA-N 0 0 333.421 0.867 10 0 ECAERN CC(C)C(=O)NCCNC(=O)N1CCO[C@@H](c2nccs2)C1 ZINC000111802474 204374639 /nfs/dbraw/zinc/37/46/39/204374639.db2.gz NXIIUMQXLGTJCI-LLVKDONJSA-N 0 0 326.422 0.998 10 0 ECAERN Cc1ccc(C(=O)N[C@@H]2CCc3ncnn3C2)cc1S(C)(=O)=O ZINC000112650966 204409198 /nfs/dbraw/zinc/40/91/98/204409198.db2.gz JEBWMILGCCWGER-GFCCVEGCSA-N 0 0 334.401 0.735 10 0 ECAERN CCCC[C@@H](NC(N)=O)C(=O)N1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000112066346 204380780 /nfs/dbraw/zinc/38/07/80/204380780.db2.gz ABFDUCSUONZVRG-UONOGXRCSA-N 0 0 337.424 0.646 10 0 ECAERN Cc1cnn(C[C@H]2CN(S(=O)(=O)c3cnn(C)c3)CCO2)c1 ZINC000112094313 204382674 /nfs/dbraw/zinc/38/26/74/204382674.db2.gz CUGLQZRDRKMZBB-LBPRGKRZSA-N 0 0 325.394 0.015 10 0 ECAERN COc1c(C(=O)N2CCO[C@H](Cn3cc(C)cn3)C2)c(C)nn1C ZINC000112298115 204391495 /nfs/dbraw/zinc/39/14/95/204391495.db2.gz AAYWNVWHKPKGCT-ZDUSSCGKSA-N 0 0 333.392 0.783 10 0 ECAERN C[C@@H](NC(=O)C(=O)Nc1cccc(-n2ccnn2)c1)[C@H]1CCCO1 ZINC000125499464 205013229 /nfs/dbraw/zinc/01/32/29/205013229.db2.gz NTXSPOICJKPNIF-BXUZGUMPSA-N 0 0 329.360 0.890 10 0 ECAERN C[C@H](NC(=O)C(=O)Nc1cccc(-n2ccnn2)c1)[C@H]1CCCO1 ZINC000125499239 205013261 /nfs/dbraw/zinc/01/32/61/205013261.db2.gz NTXSPOICJKPNIF-SMDDNHRTSA-N 0 0 329.360 0.890 10 0 ECAERN Cc1cnn(C[C@@H]2CN(C(=O)CNC(=O)c3cccnc3)CCO2)c1 ZINC000126488803 205059048 /nfs/dbraw/zinc/05/90/48/205059048.db2.gz PCDUYGCAKXFWLW-HNNXBMFYSA-N 0 0 343.387 0.244 10 0 ECAERN CCn1cnnc1[C@@H]1CCCN(C(=O)Cn2c(C)cc(O)cc2=O)C1 ZINC000128875476 205167058 /nfs/dbraw/zinc/16/70/58/205167058.db2.gz DXIQFRRMKFLQFL-CYBMUJFWSA-N 0 0 345.403 0.880 10 0 ECAERN C[C@@H]1CN(C(=O)NCCN2CCN(c3ncccn3)CC2)C[C@@H](C)O1 ZINC000080068224 217276942 /nfs/dbraw/zinc/27/69/42/217276942.db2.gz FNUGABIHHJCTJD-HUUCEWRRSA-N 0 0 348.451 0.417 10 0 ECAERN Cc1cc(C(=O)N[C@@H]2CCCC[C@@H]2O)cc(S(N)(=O)=O)c1C ZINC000130513347 205243982 /nfs/dbraw/zinc/24/39/82/205243982.db2.gz WWTMUWKOGHRMFJ-OLZOCXBDSA-N 0 0 326.418 0.984 10 0 ECAERN CNC(=O)[C@H]1CCCN1C(=O)NCC(=O)N1CCCc2ccccc21 ZINC000156586656 206086879 /nfs/dbraw/zinc/08/68/79/206086879.db2.gz MMBRREPDWSNCIC-OAHLLOKOSA-N 0 0 344.415 0.886 10 0 ECAERN CNC(=O)[C@@H]1CCCN1C(=O)N[C@@H]1CCN(c2ccccc2F)C1=O ZINC000158474937 206194312 /nfs/dbraw/zinc/19/43/12/206194312.db2.gz QUDNAIPMJVWRLH-OCCSQVGLSA-N 0 0 348.378 0.851 10 0 ECAERN C[C@@H](NC(=O)c1ccco1)C(=O)N1CCCN(C(=O)C2CC2)CC1 ZINC000158634761 206203003 /nfs/dbraw/zinc/20/30/03/206203003.db2.gz MVFLUXQUNBMWEE-GFCCVEGCSA-N 0 0 333.388 0.869 10 0 ECAERN O=c1oc2cc(O[C@@H]3OC[C@H](O)[C@@H](O)[C@@H]3O)ccc2c2c1CCCC2 ZINC000229862420 206320617 /nfs/dbraw/zinc/32/06/17/206320617.db2.gz TUFBIYDHLYDRIV-DNMXQMFDSA-N 0 0 348.351 0.490 10 0 ECAERN NC(=O)[C@@H]1COCCN1CC(=O)Nc1ccc(Br)cc1 ZINC000092229404 218127822 /nfs/dbraw/zinc/12/78/22/218127822.db2.gz QDRYUCNGMFWDAG-NSHDSACASA-N 0 0 342.193 0.574 10 0 ECAERN COCC[C@H](C)NC(=O)N[C@@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000176208197 207201033 /nfs/dbraw/zinc/20/10/33/207201033.db2.gz MQNFMKJVFJMQIH-WCQYABFASA-N 0 0 337.424 0.948 10 0 ECAERN Cc1nccn1C[C@H]1CCCN1C(=O)CN1CCCS1(=O)=O ZINC000177153140 207300691 /nfs/dbraw/zinc/30/06/91/207300691.db2.gz HFBUDHAQXLYGKO-CYBMUJFWSA-N 0 0 326.422 0.218 10 0 ECAERN O=C(NCCn1c(=O)[nH]c2ccccc21)N[C@@H]1CCCn2ncnc21 ZINC000177305813 207319146 /nfs/dbraw/zinc/31/91/46/207319146.db2.gz MICYZALEBRHEKB-GFCCVEGCSA-N 0 0 341.375 0.755 10 0 ECAERN Cc1cccc(CN2CCN(C(=O)CSC[C@@H](O)CO)CC2)c1 ZINC000177433475 207335555 /nfs/dbraw/zinc/33/55/55/207335555.db2.gz GITARARWXCSTQZ-INIZCTEOSA-N 0 0 338.473 0.726 10 0 ECAERN Cn1c2ccccc2n(CCC(=O)N[C@H]2CCCn3ncnc32)c1=O ZINC000177602779 207360646 /nfs/dbraw/zinc/36/06/46/207360646.db2.gz GCXGRAGZBGPPPW-LBPRGKRZSA-N 0 0 340.387 0.973 10 0 ECAERN Cc1cc(C)n(C[C@H]2CN(C(=O)C(=O)Nc3cccnc3)CCO2)n1 ZINC000177657038 207371180 /nfs/dbraw/zinc/37/11/80/207371180.db2.gz BEWSSVDQEOQBIP-OAHLLOKOSA-N 0 0 343.387 0.761 10 0 ECAERN CNC(=O)[C@H](NC(=O)C(=O)Nc1cc(F)c(F)cc1F)C(C)C ZINC000179082553 207694805 /nfs/dbraw/zinc/69/48/05/207694805.db2.gz IXSCZMFHHVAVOF-LLVKDONJSA-N 0 0 331.294 0.929 10 0 ECAERN COCCN1CCN(C(=O)N[C@H](C)[C@@H](C)N2CCOCC2)C[C@H]1C ZINC000247131927 285043839 /nfs/dbraw/zinc/04/38/39/285043839.db2.gz ONJGPNNGUUOYSY-BZUAXINKSA-N 0 0 342.484 0.458 10 0 ECAERN CCOCCN1CCN(S(=O)(=O)c2cn(C)c(C)n2)C[C@@H]1CC ZINC000116899212 221007944 /nfs/dbraw/zinc/00/79/44/221007944.db2.gz AHFKTVRICQRZPN-AWEZNQCLSA-N 0 0 344.481 0.850 10 0 ECAERN CCOCCN1CCN(S(=O)(=O)c2cnn(C)c2)C[C@@H]1CC ZINC000116899165 221008301 /nfs/dbraw/zinc/00/83/01/221008301.db2.gz OHBIBQSSXMLWEE-ZDUSSCGKSA-N 0 0 330.454 0.542 10 0 ECAERN CCc1noc([C@@H](C)N2CCN(C[C@@H](C)CS(C)(=O)=O)CC2)n1 ZINC000118993030 221219077 /nfs/dbraw/zinc/21/90/77/221219077.db2.gz SEJUAJUDVLGSFZ-CHWSQXEVSA-N 0 0 344.481 0.991 10 0 ECAERN CCc1noc([C@H](C)N2CCN(C[C@@H](C)CS(C)(=O)=O)CC2)n1 ZINC000118993129 221219617 /nfs/dbraw/zinc/21/96/17/221219617.db2.gz SEJUAJUDVLGSFZ-OLZOCXBDSA-N 0 0 344.481 0.991 10 0 ECAERN Cn1cccc1C(=O)NC[C@@H]1C[C@H]2CN(C(=O)c3ccno3)C[C@@H]2O1 ZINC000248113117 257664552 /nfs/dbraw/zinc/66/45/52/257664552.db2.gz IALKDEJKPDWCJW-HUBLWGQQSA-N 0 0 344.371 0.673 10 0 ECAERN CN(C)S(=O)(=O)N1CC2(C1)OCC[C@@H]2CCOc1cccnc1 ZINC000247931193 257673120 /nfs/dbraw/zinc/67/31/20/257673120.db2.gz FWXKRDJGAFIJLH-ZDUSSCGKSA-N 0 0 341.433 0.748 10 0 ECAERN CN(C)S(=O)(=O)N1CCO[C@@H]2CN(c3cccc(F)c3)C[C@@H]21 ZINC000247914192 257673239 /nfs/dbraw/zinc/67/32/39/257673239.db2.gz AUVYNOYMERFTLV-UONOGXRCSA-N 0 0 329.397 0.522 10 0 ECAERN Cc1nc2cncc(N3CCN(C(=O)[C@@H]4CCCOC4)CC3)n2n1 ZINC000328629690 258030408 /nfs/dbraw/zinc/03/04/08/258030408.db2.gz INCUJDUJHCYPEP-CYBMUJFWSA-N 0 0 330.392 0.508 10 0 ECAERN CC(C)OC[C@@H](O)CN1CCC[C@H]1c1nc(C(=O)NC2CC2)no1 ZINC000328621163 258036163 /nfs/dbraw/zinc/03/61/63/258036163.db2.gz AIUTWKOHYVPFGL-STQMWFEESA-N 0 0 338.408 0.885 10 0 ECAERN CCN(CC)C(=O)[C@H]1CCCN1C(=O)NCCC(=O)NC(C)C ZINC000073598937 296615139 /nfs/dbraw/zinc/61/51/39/296615139.db2.gz USJUDQPMWPEVIE-CYBMUJFWSA-N 0 0 326.441 0.944 10 0 ECAERN Cc1cc(NC(=O)C(=O)N2CCC(Cn3cccn3)CC2)n(C)n1 ZINC000119625971 296643413 /nfs/dbraw/zinc/64/34/13/296643413.db2.gz JKKRNYWDHDJDTJ-UHFFFAOYSA-N 0 0 330.392 0.802 10 0 ECAERN C[C@H](NC(=O)N[C@@H]1CCc2ncnn2C1)[C@@H](O)Cc1ccccc1 ZINC000122390611 296649681 /nfs/dbraw/zinc/64/96/81/296649681.db2.gz YAXYLOVPHLMLNY-CFVMTHIKSA-N 0 0 329.404 0.884 10 0 ECAERN COc1ccc(C(=O)N2CCOC[C@@H]2C(N)=O)cc1Br ZINC000158163115 286277097 /nfs/dbraw/zinc/27/70/97/286277097.db2.gz XAKVCHWIWUKUIC-SNVBAGLBSA-N 0 0 343.177 0.784 10 0 ECAERN CCCn1nccc1NC(=O)C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000153880922 296693918 /nfs/dbraw/zinc/69/39/18/296693918.db2.gz JXHPMOFAWDPFFP-ZDUSSCGKSA-N 0 0 335.408 0.165 10 0 ECAERN CS(=O)(=O)CC1(CC(=O)N2CC[C@H](N3CCOCC3)C2)CC1 ZINC000176914045 286588320 /nfs/dbraw/zinc/58/83/20/286588320.db2.gz OXWMLVIZAKEFII-ZDUSSCGKSA-N 0 0 330.450 0.134 10 0 ECAERN O=C(c1csc(Br)c1)N1CC[C@]2(C1)NC(=O)NC2=O ZINC000083856581 164628934 /nfs/dbraw/zinc/62/89/34/164628934.db2.gz FFJOXYFJOKVGBR-LLVKDONJSA-N 0 0 344.190 0.935 10 0 ECAERN NC(=O)c1cccc(C(=O)N[C@@H]2CCCN(c3cccnn3)C2)c1 ZINC000125078012 164661127 /nfs/dbraw/zinc/66/11/27/164661127.db2.gz HWDLSSQINRCAGL-CQSZACIVSA-N 0 0 325.372 0.974 10 0 ECAERN O=C(Nc1ccc2n[nH]cc2c1)C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000174010299 164865479 /nfs/dbraw/zinc/86/54/79/164865479.db2.gz WDCBDHKPLKDXKJ-AWEZNQCLSA-N 0 0 343.387 0.435 10 0 ECAERN Cc1cc(C)n(C[C@@H]2CN(S(=O)(=O)CCOC(C)C)CCO2)n1 ZINC000175111593 164877611 /nfs/dbraw/zinc/87/76/11/164877611.db2.gz WVUOVYJNMPNIRR-HNNXBMFYSA-N 0 0 345.465 0.956 10 0 ECAERN CC(C)c1nnc2n1C[C@H](NC(=O)N1CC(NC(=O)C3CC3)C1)CC2 ZINC000187782169 164992336 /nfs/dbraw/zinc/99/23/36/164992336.db2.gz USZSIOYMJGREAS-GFCCVEGCSA-N 0 0 346.435 0.636 10 0 ECAERN CC(=O)NC1CN(C(=O)N[C@@H](C)c2cn(-c3ccccc3)nn2)C1 ZINC000190252717 165019381 /nfs/dbraw/zinc/01/93/81/165019381.db2.gz XQLGIXDBDVFQOQ-NSHDSACASA-N 0 0 328.376 0.858 10 0 ECAERN Cc1cc(NC(=O)C(=O)N2CCCNC(=O)[C@@H]2C)ccc1N(C)C ZINC000190674350 165024274 /nfs/dbraw/zinc/02/42/74/165024274.db2.gz UQGGOJKNESBMLU-LBPRGKRZSA-N 0 0 332.404 0.737 10 0 ECAERN CC(C)c1nnc2n1CCN(C(=O)NC[C@@H]1CN(C)CCO1)[C@H]2C ZINC000190723756 165024484 /nfs/dbraw/zinc/02/44/84/165024484.db2.gz OTBQPHDAGZAZPB-QWHCGFSZSA-N 0 0 336.440 0.818 10 0 ECAERN COCCC[NH+]1CCC(NC(=O)N2CCCNC(=O)[C@H]2C)CC1 ZINC000191413108 165033518 /nfs/dbraw/zinc/03/35/18/165033518.db2.gz HTNYJUSYMNDAHZ-CYBMUJFWSA-N 0 0 326.441 0.407 10 0 ECAERN CCc1nnc(CN2C(=O)C(=O)N(CCc3cccs3)C2=O)n1C ZINC000194680605 165069486 /nfs/dbraw/zinc/06/94/86/165069486.db2.gz PQFRNXACGLTNEY-UHFFFAOYSA-N 0 0 347.400 0.973 10 0 ECAERN Cn1c(CN2CCc3cc(S(N)(=O)=O)ccc32)nnc1C1CC1 ZINC000195042285 165074419 /nfs/dbraw/zinc/07/44/19/165074419.db2.gz FFWSLMSHGVDVTR-UHFFFAOYSA-N 0 0 333.417 0.903 10 0 ECAERN CCCCCNC(=O)[C@H](C)S(=O)(=O)Cc1nnnn1C(C)C ZINC000195429053 165081797 /nfs/dbraw/zinc/08/17/97/165081797.db2.gz VBQLPTKYJHLFGW-NSHDSACASA-N 0 0 331.442 0.864 10 0 ECAERN CCOCCCNC(=O)[C@@H](C)S(=O)(=O)Cc1nccn1CC ZINC000195519725 165083562 /nfs/dbraw/zinc/08/35/62/165083562.db2.gz DGQNMMBTBOQCNE-GFCCVEGCSA-N 0 0 331.438 0.749 10 0 ECAERN CCN(C(=O)CN1CCOC[C@H]1C(N)=O)[C@H](C)c1ccc(F)cc1 ZINC000245754322 165115933 /nfs/dbraw/zinc/11/59/33/165115933.db2.gz HLCXJNDZQBNVHX-DOMZBBRYSA-N 0 0 337.395 0.921 10 0 ECAERN CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)N2CC[C@@H](c3cnn(C)c3)C2)O1 ZINC000246089062 165122544 /nfs/dbraw/zinc/12/25/44/165122544.db2.gz NNJBAYTXRTVNDP-YUELXQCFSA-N 0 0 349.435 0.555 10 0 ECAERN CCOCCN1CCN(C(=O)[C@H]2CCCN(C(C)=O)C2)C[C@H]1C ZINC000247252569 165158739 /nfs/dbraw/zinc/15/87/39/165158739.db2.gz XWTHRCIAQUHPMA-ZBFHGGJFSA-N 0 0 325.453 0.814 10 0 ECAERN CCOCCN1CCN([C@@H]2CCN(c3cnn(C)c3)C2=O)C[C@H]1C ZINC000247487709 165163687 /nfs/dbraw/zinc/16/36/87/165163687.db2.gz GLPAUMYSCAMEAH-GDBMZVCRSA-N 0 0 335.452 0.568 10 0 ECAERN Cn1cc(S(=O)(=O)NCCN2CCO[C@H]3CCCC[C@H]32)cn1 ZINC000247558260 165165799 /nfs/dbraw/zinc/16/57/99/165165799.db2.gz QNJKXZBYPYUOGW-KGLIPLIRSA-N 0 0 328.438 0.342 10 0 ECAERN CCCCN1CCOC[C@H]1C(=O)N[C@H](C)C(=O)NCc1ccco1 ZINC000248621790 165179622 /nfs/dbraw/zinc/17/96/22/165179622.db2.gz AUQPHGVKMQDWEV-HIFRSBDPSA-N 0 0 337.420 0.901 10 0 ECAERN C[C@H](NC(=O)CN1C[C@@H](CO)[C@@H](c2ccsc2)C1)C(=O)N(C)C ZINC000249556883 165199331 /nfs/dbraw/zinc/19/93/31/165199331.db2.gz KCBKJESENDOBEC-FPMFFAJLSA-N 0 0 339.461 0.349 10 0 ECAERN O=C(CS[C@H]1CCS(=O)(=O)C1)N1CCN2CCCC[C@H]2C1 ZINC000250205519 165202071 /nfs/dbraw/zinc/20/20/71/165202071.db2.gz QJUXUEFIVDWFMD-STQMWFEESA-N 0 0 332.491 0.603 10 0 ECAERN CCN(CC(=O)Nc1ccccc1OC)C(=O)[C@H]1NCCO[C@@H]1C ZINC000261890335 165259867 /nfs/dbraw/zinc/25/98/67/165259867.db2.gz GLXLDASNTDRYLV-WBMJQRKESA-N 0 0 335.404 0.859 10 0 ECAERN CCC[C@H]([NH2+][C@H](C)C(=O)N(CCC)[C@@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000262294180 165323766 /nfs/dbraw/zinc/32/37/66/165323766.db2.gz OJEZWNAMHGXZJA-UPJWGTAASA-N 0 0 348.465 0.644 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NS(=O)(=O)c2cnc(C)s2)C1 ZINC000262447947 165350054 /nfs/dbraw/zinc/35/00/54/165350054.db2.gz DFQASPHHGPSCFY-UHFFFAOYSA-N 0 0 333.435 0.667 10 0 ECAERN CCN1C[C@@H](C(=O)NC2CC([N@@H+](CC(=O)[O-])CC3CC3)C2)CC1=O ZINC000262720615 165377700 /nfs/dbraw/zinc/37/77/00/165377700.db2.gz PMATWURVDMIMEP-HSBZDZAISA-N 0 0 337.420 0.299 10 0 ECAERN O=C([O-])C[N@H+](CC1CC1)C1CC(NC(=O)Cn2ccccc2=O)C1 ZINC000262726023 165378055 /nfs/dbraw/zinc/37/80/55/165378055.db2.gz SLDSCEBYDKQEJB-UHFFFAOYSA-N 0 0 333.388 0.292 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)[C@H](C)NC(=O)C2CCCC2)C1 ZINC000262734312 165379469 /nfs/dbraw/zinc/37/94/69/165379469.db2.gz VFGSXWSEMHTKBQ-XGNXJENSSA-N 0 0 339.436 0.735 10 0 ECAERN C[C@H](C(=O)NC1CC([N@@H+](CC(=O)[O-])CC2CC2)C1)N1CCOCC1 ZINC000262742716 165380918 /nfs/dbraw/zinc/38/09/18/165380918.db2.gz WPRILMQZOHUIHN-LRVUVFPRSA-N 0 0 339.436 0.151 10 0 ECAERN C[C@H](C(=O)Nc1nccs1)N1CCO[C@@H](C[N@H+](C)CC(=O)[O-])C1 ZINC000262895961 165398361 /nfs/dbraw/zinc/39/83/61/165398361.db2.gz PBUGFJDGWPTQOK-MNOVXSKESA-N 0 0 342.421 0.187 10 0 ECAERN Cc1cnn(CCNC(=O)C(=O)Nc2ccc3c(c2)NC(=O)CC3)c1 ZINC000177026883 263153258 /nfs/dbraw/zinc/15/32/58/263153258.db2.gz RTCDUVUZWKKWJU-UHFFFAOYSA-N 0 0 341.371 0.831 10 0 ECAERN CNC(=O)[C@H](NC(=O)CNC(=O)c1cc(F)cc(F)c1)C(C)C ZINC000179129334 263155531 /nfs/dbraw/zinc/15/55/31/263155531.db2.gz ATSFHHBXWYFDTM-CYBMUJFWSA-N 0 0 327.331 0.581 10 0 ECAERN Cc1ccccc1C[C@@H](CO)NC(=O)N[C@H]1CCc2ncnn2C1 ZINC000190163213 263164121 /nfs/dbraw/zinc/16/41/21/263164121.db2.gz WIZJZHJAVLDGIF-GJZGRUSLSA-N 0 0 329.404 0.804 10 0 ECAERN Cc1ccccc1C[C@H](CO)NC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000190163192 263164316 /nfs/dbraw/zinc/16/43/16/263164316.db2.gz WIZJZHJAVLDGIF-HUUCEWRRSA-N 0 0 329.404 0.804 10 0 ECAERN Cc1cc(C(=O)N2CCN3CCCC[C@@H]3C2)c2c(=O)[nH]n(C)c2n1 ZINC000195060405 263170140 /nfs/dbraw/zinc/17/01/40/263170140.db2.gz OQVFLBNIDLZTAZ-GFCCVEGCSA-N 0 0 329.404 0.880 10 0 ECAERN NC(=O)[C@H]1COCCN1C(=O)c1cc(Cl)ncc1Br ZINC000291640932 264720141 /nfs/dbraw/zinc/72/01/41/264720141.db2.gz ITGDHILVZSHGBO-MRVPVSSYSA-N 0 0 348.584 0.824 10 0 ECAERN CC(C)C[C@@H](NS(C)(=O)=O)C(=O)N(C)Cc1nnc2n1CCC2 ZINC000069456776 279003287 /nfs/dbraw/zinc/00/32/87/279003287.db2.gz HIAOOOHXUOIMGJ-LLVKDONJSA-N 0 0 343.453 0.147 10 0 ECAERN CC(C)C[C@H](NS(C)(=O)=O)C(=O)N(C)Cc1nnc2n1CCC2 ZINC000069456774 279194652 /nfs/dbraw/zinc/19/46/52/279194652.db2.gz HIAOOOHXUOIMGJ-NSHDSACASA-N 0 0 343.453 0.147 10 0 ECAERN Cn1c(=O)[nH]c(N)c(NC(=O)c2ccc(C(F)(F)F)cc2)c1=O ZINC000045819933 279301692 /nfs/dbraw/zinc/30/16/92/279301692.db2.gz JYYJDTZPALGLDP-UHFFFAOYSA-N 0 0 328.250 0.927 10 0 ECAERN CCCn1nccc1NC(=O)C(=O)N1CCN(C[C@H](O)CC)CC1 ZINC000189478665 437601548 /nfs/dbraw/zinc/60/15/48/437601548.db2.gz AVHYKOSNCVPDKL-CYBMUJFWSA-N 0 0 337.424 0.147 10 0 ECAERN O=C(Cc1cc2ccccc2[nH]c1=O)N1CC(NC(=O)C2CC2)C1 ZINC000189466147 437602086 /nfs/dbraw/zinc/60/20/86/437602086.db2.gz AMKWBIJOOHPUSA-UHFFFAOYSA-N 0 0 325.368 0.808 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)NCc2nnc3n2CCCC3)CC1 ZINC000184881854 280204670 /nfs/dbraw/zinc/20/46/70/280204670.db2.gz GXAJJMXDRYBCAD-CYBMUJFWSA-N 0 0 336.440 0.213 10 0 ECAERN CC(C)[C@H](NC(=O)C(=O)Nc1cccc(-c2nccn2C)c1)C(N)=O ZINC000189530204 437604379 /nfs/dbraw/zinc/60/43/79/437604379.db2.gz OUFKKKLBMRANLR-ZDUSSCGKSA-N 0 0 343.387 0.652 10 0 ECAERN COC[C@H](C)n1ccc(NC(=O)NC[C@H](C)N2CCOCC2)n1 ZINC000189828383 437611732 /nfs/dbraw/zinc/61/17/32/437611732.db2.gz BLTLDTACIFELMM-STQMWFEESA-N 0 0 325.413 0.933 10 0 ECAERN CCc1nnc([C@@H]2CN(C(=O)c3ccn(CCOC)n3)CCO2)[nH]1 ZINC000189945601 437613484 /nfs/dbraw/zinc/61/34/84/437613484.db2.gz OHHXBLFHHIGGSR-LBPRGKRZSA-N 0 0 334.380 0.424 10 0 ECAERN C[C@H](CNC(=O)C(=O)Nc1ccc(F)c(F)c1)N1CCOCC1 ZINC000041600922 289635635 /nfs/dbraw/zinc/63/56/35/289635635.db2.gz NPVVFHHOQSRVRV-SNVBAGLBSA-N 0 0 327.331 0.740 10 0 ECAERN CCN(Cc1ccccc1)C(=O)CNC(=O)N1CC(NC(C)=O)C1 ZINC000189954844 437614831 /nfs/dbraw/zinc/61/48/31/437614831.db2.gz KWMZXSMYFSCLBL-UHFFFAOYSA-N 0 0 332.404 0.565 10 0 ECAERN NC(=O)[C@H]1COCCN1C(=O)Cc1cc(Br)ccc1F ZINC000091784291 295158111 /nfs/dbraw/zinc/15/81/11/295158111.db2.gz LPFWAPUKDXLNCO-LLVKDONJSA-N 0 0 345.168 0.843 10 0 ECAERN O=C(CN1CN=NC1=O)N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 ZINC000333332321 297125786 /nfs/dbraw/zinc/12/57/86/297125786.db2.gz NDBJTEOKAAYWHW-OAHLLOKOSA-N 0 0 336.779 0.843 10 0 ECAERN NC(=O)[C@@H]1CC[C@H](CNC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)O1 ZINC000362801651 300222608 /nfs/dbraw/zinc/22/26/08/300222608.db2.gz HCAARZORXAUPNP-FOCJUVANSA-N 0 0 325.409 0.356 10 0 ECAERN CN1C(=O)CO[C@H](C(=O)N2C[C@H](O)C(C)(C)C2)[C@H]1c1ccccc1 ZINC000368456346 300666320 /nfs/dbraw/zinc/66/63/20/300666320.db2.gz ZKLSFAKRRLUQMM-IMJJTQAJSA-N 0 0 332.400 0.814 10 0 ECAERN C[C@@H](NC(=O)c1[nH]c(=O)[nH]c(=O)c1N)c1ccc(F)c(Cl)c1 ZINC000073050352 436068023 /nfs/dbraw/zinc/06/80/23/436068023.db2.gz ORAIAJDWGQHKSD-RXMQYKEDSA-N 0 0 326.715 0.929 10 0 ECAERN CNC(=O)CNC(=O)[C@H](NC(=O)c1ccc(Cl)cc1)C(C)C ZINC000025201542 436146026 /nfs/dbraw/zinc/14/60/26/436146026.db2.gz ZAYUVTMDWRUEEQ-CYBMUJFWSA-N 0 0 325.796 0.957 10 0 ECAERN O=C([C@H]1CCCN(C(=O)N2CCCC2)C1)N1C[C@@H](F)C[C@H]1CO ZINC000372509530 301006466 /nfs/dbraw/zinc/00/64/66/301006466.db2.gz WLRUYXLCMNKOFE-IHRRRGAJSA-N 0 0 327.400 0.846 10 0 ECAERN Cc1nn(C)cc1[C@@H](C)NC(=O)C1CCN(c2cn[nH]c(=O)c2)CC1 ZINC000075535610 436163429 /nfs/dbraw/zinc/16/34/29/436163429.db2.gz OWYDPFFTGYASCU-LLVKDONJSA-N 0 0 344.419 0.906 10 0 ECAERN C[C@@H]1CCCCN1S(=O)(=O)N1CCO[C@H](c2cnn(C)c2)C1 ZINC000378029374 301403226 /nfs/dbraw/zinc/40/32/26/301403226.db2.gz FWQFLIBJLIIOME-OCCSQVGLSA-N 0 0 328.438 0.913 10 0 ECAERN CC(=O)N[C@H]1CCCN(C(=O)c2cnc3cc(C)ccn3c2=O)C1 ZINC000077283271 436231062 /nfs/dbraw/zinc/23/10/62/436231062.db2.gz WZPNWQMTBWVMBP-ZDUSSCGKSA-N 0 0 328.372 0.744 10 0 ECAERN Cc1cc(S(=O)(=O)N2CC[C@]3(C2)NC(=O)NC3=O)c(C)s1 ZINC000084796563 436385550 /nfs/dbraw/zinc/38/55/50/436385550.db2.gz WXSINPFMVNDZFK-GFCCVEGCSA-N 0 0 329.403 0.338 10 0 ECAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)N(CCOC)CCOC ZINC000088756050 436403672 /nfs/dbraw/zinc/40/36/72/436403672.db2.gz LVYPUVJTJVIHAI-LBPRGKRZSA-N 0 0 325.413 0.980 10 0 ECAERN CNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCn3nc(C)nc32)cc1 ZINC000081813145 436356420 /nfs/dbraw/zinc/35/64/20/436356420.db2.gz FUYAYPPZSYLVRJ-CYBMUJFWSA-N 0 0 349.416 0.760 10 0 ECAERN CCc1nnc(CS(=O)(=O)CC(=O)NCC2CCCCC2)n1C ZINC000091049395 436439800 /nfs/dbraw/zinc/43/98/00/436439800.db2.gz NDXQVWNNIDMESK-UHFFFAOYSA-N 0 0 342.465 0.989 10 0 ECAERN Cc1ccn(C)c(=O)c1NC(=O)C(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000091249344 436447073 /nfs/dbraw/zinc/44/70/73/436447073.db2.gz YQDURYCTCOKZON-FZKQIMNGSA-N 0 0 347.415 0.786 10 0 ECAERN COCC(=O)N(C)CC(=O)N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000091760499 436458559 /nfs/dbraw/zinc/45/85/59/436458559.db2.gz LXGNRWLNJPXYSB-BXUZGUMPSA-N 0 0 342.342 0.704 10 0 ECAERN Cc1cc(Cl)ncc1NC(=O)NC[C@@H](O)CN1CCOCC1 ZINC000092930104 436478686 /nfs/dbraw/zinc/47/86/86/436478686.db2.gz UJBFJPZKRIEFRK-LLVKDONJSA-N 0 0 328.800 0.858 10 0 ECAERN CCS(=O)(=O)NC1CCN(c2nccn(CC(C)C)c2=O)CC1 ZINC000094134927 436490046 /nfs/dbraw/zinc/49/00/46/436490046.db2.gz PITMUGFSAZPAMB-UHFFFAOYSA-N 0 0 342.465 0.807 10 0 ECAERN Cn1cnn(CC(=O)Nc2cc(-c3c(F)cccc3F)n[nH]2)c1=O ZINC000097233891 436541242 /nfs/dbraw/zinc/54/12/42/436541242.db2.gz KTPWLJQTUGFDGM-UHFFFAOYSA-N 0 0 334.286 0.889 10 0 ECAERN CN(CC(=O)N1CCO[C@@H]2CCCC[C@H]21)c1ncnc2nc[nH]c21 ZINC000058445973 436626220 /nfs/dbraw/zinc/62/62/20/436626220.db2.gz NURKVAPOCAGNKI-VXGBXAGGSA-N 0 0 330.392 0.959 10 0 ECAERN COCCc1noc(CN2CCCN(Cc3cnn(C)c3)CC2)n1 ZINC000105870109 436583395 /nfs/dbraw/zinc/58/33/95/436583395.db2.gz PNBUEAQYQFFOEH-UHFFFAOYSA-N 0 0 334.424 0.700 10 0 ECAERN Cc1nnc(CN2CCN(CC(=O)N[C@H]3CCC[C@@H](C)C3)CC2)n1C ZINC000105928133 436588007 /nfs/dbraw/zinc/58/80/07/436588007.db2.gz VNKNHKAPFVMOSW-ZBFHGGJFSA-N 0 0 348.495 0.936 10 0 ECAERN C[C@H](c1nc(N)nc(N(C)C)n1)N1CCC[C@H](Cn2cncn2)C1 ZINC000106174205 436590967 /nfs/dbraw/zinc/59/09/67/436590967.db2.gz SIUYMCPQJVVXIS-NEPJUHHUSA-N 0 0 331.428 0.585 10 0 ECAERN O=C(CNC(=O)c1cccc(Cl)c1)N[C@H]1CCc2ncnn2C1 ZINC000112650087 436632910 /nfs/dbraw/zinc/63/29/10/436632910.db2.gz GALPLRRREVOUDP-LBPRGKRZSA-N 0 0 333.779 0.793 10 0 ECAERN O=C(c1cccc(-n2cnnn2)c1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111086157 436629113 /nfs/dbraw/zinc/62/91/13/436629113.db2.gz DBJWQLKTIAPUTN-OAHLLOKOSA-N 0 0 339.359 0.400 10 0 ECAERN O=S(=O)(N[C@@H]1CCc2ncnn2C1)c1cnn(-c2ccccc2)c1 ZINC000113298359 436637102 /nfs/dbraw/zinc/63/71/02/436637102.db2.gz RJRGOQCZGFLJKW-GFCCVEGCSA-N 0 0 344.400 0.757 10 0 ECAERN CN(C)C(=O)Cn1cc(C(=O)N2CCCC[C@@H]2c2cn[nH]c2)nn1 ZINC000113897410 436638649 /nfs/dbraw/zinc/63/86/49/436638649.db2.gz NXARYYITMLMYGG-CYBMUJFWSA-N 0 0 331.380 0.457 10 0 ECAERN Cn1nc(Cl)cc(Nc2cc3n(n2)CCN(C2COC2)C3)c1=O ZINC000114209559 436639842 /nfs/dbraw/zinc/63/98/42/436639842.db2.gz OYIUYLAQHBXGGY-UHFFFAOYSA-N 0 0 336.783 0.588 10 0 ECAERN CCS(=O)(=O)NCCCNC(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000116429454 436649770 /nfs/dbraw/zinc/64/97/70/436649770.db2.gz GXXMMUJBLMSZQV-GFCCVEGCSA-N 0 0 343.453 0.248 10 0 ECAERN C[C@H](COCc1ccccc1)NS(=O)(=O)[C@@H](C)C(=O)N(C)C ZINC000193966644 436655300 /nfs/dbraw/zinc/65/53/00/436655300.db2.gz UWIHRQRLXPHQHC-OLZOCXBDSA-N 0 0 328.434 0.988 10 0 ECAERN COCCN1CCN(C(=O)c2ccc(CNC(N)=O)cc2)C[C@H]1C ZINC000117287926 436655816 /nfs/dbraw/zinc/65/58/16/436655816.db2.gz LJEXYGUBNAVDJA-CYBMUJFWSA-N 0 0 334.420 0.648 10 0 ECAERN CN([C@@H]1CS(=O)(=O)C[C@H]1O)C1CCN(Cc2ccccc2)CC1 ZINC000065384908 436657375 /nfs/dbraw/zinc/65/73/75/436657375.db2.gz IZWGLHHKKMDIIN-IAGOWNOFSA-N 0 0 338.473 0.741 10 0 ECAERN O=C(CCn1[nH]c(=O)c2ccccc2c1=O)N[C@@H]1CCCC[C@H]1CO ZINC000151069894 436694748 /nfs/dbraw/zinc/69/47/48/436694748.db2.gz YHFYKRSDVJDLCF-SWLSCSKDSA-N 0 0 345.399 0.747 10 0 ECAERN O=C(CCn1cnnn1)N1CCCn2nc([C@@H](O)C3CC3)cc2C1 ZINC000220087882 436697681 /nfs/dbraw/zinc/69/76/81/436697681.db2.gz DCILUZAVXSLUGD-HNNXBMFYSA-N 0 0 331.380 0.136 10 0 ECAERN COC(=O)CCNC(=O)CN1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000120954295 436703103 /nfs/dbraw/zinc/70/31/03/436703103.db2.gz HVUCIXFDGINECG-SMDDNHRTSA-N 0 0 342.342 0.752 10 0 ECAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@H](CO)CC(C)C ZINC000121189179 436710716 /nfs/dbraw/zinc/71/07/16/436710716.db2.gz RTHKPSPNLCCDRR-RYUDHWBXSA-N 0 0 325.413 0.966 10 0 ECAERN O=C(NCCO)c1cc2n(n1)CCN(c1nccc3occc31)C2 ZINC000065468013 436662966 /nfs/dbraw/zinc/66/29/66/436662966.db2.gz GHRGCFJWAHYFMN-UHFFFAOYSA-N 0 0 327.344 0.767 10 0 ECAERN CC[N@@H+]1CCC[C@@H](NC(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000194311498 436663093 /nfs/dbraw/zinc/66/30/93/436663093.db2.gz AORVVIBQAIBYML-GFCCVEGCSA-N 0 0 326.422 0.940 10 0 ECAERN Nc1nc(Nc2cccc(S(N)(=O)=O)c2)nn1-c1ccccn1 ZINC000140063442 436667313 /nfs/dbraw/zinc/66/73/13/436667313.db2.gz YYJYEDZANQUTLA-UHFFFAOYSA-N 0 0 331.361 0.636 10 0 ECAERN CCc1noc2ncc(C(=O)NC[C@H](O)CN3CCOCC3)cc12 ZINC000194697234 436669704 /nfs/dbraw/zinc/66/97/04/436669704.db2.gz SYISXGRKRVKJOV-LBPRGKRZSA-N 0 0 334.376 0.208 10 0 ECAERN CC(C)(O)[C@H](c1ccc(CN2CCOCC2)cc1)S(N)(=O)=O ZINC000146268753 436679465 /nfs/dbraw/zinc/67/94/65/436679465.db2.gz YXWWJYCHCUOPBA-AWEZNQCLSA-N 0 0 328.434 0.619 10 0 ECAERN CC(=O)NCCNC(=O)N1C[C@H](O)C[C@H]1c1cc(F)ccc1F ZINC000120183951 436682100 /nfs/dbraw/zinc/68/21/00/436682100.db2.gz GBUDRLVKYVTRGC-RISCZKNCSA-N 0 0 327.331 0.918 10 0 ECAERN CC(C)(C)S(=O)(=O)CC(=O)N[C@@H]1CCCN(c2cccnn2)C1 ZINC000152996216 436744534 /nfs/dbraw/zinc/74/45/34/436744534.db2.gz VHRGHNCMWZDEAR-GFCCVEGCSA-N 0 0 340.449 0.775 10 0 ECAERN C[C@H]1CN(C(=O)c2cccc3c2oc(=O)n3C)C[C@@H]1N1CCOCC1 ZINC000125079215 436761748 /nfs/dbraw/zinc/76/17/48/436761748.db2.gz IZSQRVJORXMZSZ-WFASDCNBSA-N 0 0 345.399 0.924 10 0 ECAERN Cc1ccc(C)c(OCCC(=O)NC[C@@H](O)CN2CCOCC2)c1 ZINC000154122931 436770396 /nfs/dbraw/zinc/77/03/96/436770396.db2.gz UTXBVYAEHZKQRZ-MRXNPFEDSA-N 0 0 336.432 0.882 10 0 ECAERN CS(=O)(=O)c1csc(C(=O)N2CC[C@H](N3CCOCC3)C2)c1 ZINC000154439594 436779283 /nfs/dbraw/zinc/77/92/83/436779283.db2.gz WOHHVFNWAXSHRI-NSHDSACASA-N 0 0 344.458 0.698 10 0 ECAERN Cc1nn(C)c(C)c1S(=O)(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000246645031 436782950 /nfs/dbraw/zinc/78/29/50/436782950.db2.gz ZWXAUIJXLAYMLU-RISCZKNCSA-N 0 0 342.465 0.378 10 0 ECAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)NCCN1CCOCC1)CC2 ZINC000154826752 436785439 /nfs/dbraw/zinc/78/54/39/436785439.db2.gz BYKONQFJGLISEA-ZDUSSCGKSA-N 0 0 336.440 0.348 10 0 ECAERN COc1ccccc1C(=O)NCC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000154907784 436786641 /nfs/dbraw/zinc/78/66/41/436786641.db2.gz KVDVJFJJEZDVNQ-LLVKDONJSA-N 0 0 329.360 0.148 10 0 ECAERN C[C@H]1CN(C(=O)Nc2cnc(N(C)C)nc2)C[C@@H]1N1CCOCC1 ZINC000154898032 436787141 /nfs/dbraw/zinc/78/71/41/436787141.db2.gz YZIZAGZURLZEHU-JSGCOSHPSA-N 0 0 334.424 0.727 10 0 ECAERN C[C@H](O)CN1CCN(C(=O)c2ccccc2Cn2cncn2)C[C@H]1C ZINC000246910225 436787433 /nfs/dbraw/zinc/78/74/33/436787433.db2.gz QCPOLCQWNJTFCY-CABCVRRESA-N 0 0 343.431 0.854 10 0 ECAERN Cc1ccc(N2CCCN([C@H](C)C(=O)NC[C@H]3CCCO3)CC2)nn1 ZINC000247248042 436792140 /nfs/dbraw/zinc/79/21/40/436792140.db2.gz SWTHXLJGBMOAND-HZPDHXFCSA-N 0 0 347.463 0.981 10 0 ECAERN Cn1nccc1C1CCN(C(=O)NCCC(=O)N2CCOCC2)CC1 ZINC000155846489 436805698 /nfs/dbraw/zinc/80/56/98/436805698.db2.gz DWFLTQRYNJZXCN-UHFFFAOYSA-N 0 0 349.435 0.558 10 0 ECAERN CC(C)n1nnnc1CN(C)CCN1C(=O)c2ccccc2C1=O ZINC000158950622 436851389 /nfs/dbraw/zinc/85/13/89/436851389.db2.gz QRCOBSMNDSFBJD-UHFFFAOYSA-N 0 0 328.376 0.982 10 0 ECAERN O=C(N[C@@H]1CN(Cc2ccccc2F)C[C@H]1CO)c1cnccn1 ZINC000257180810 436857918 /nfs/dbraw/zinc/85/79/18/436857918.db2.gz DVTUITOBFOJKHJ-XJKSGUPXSA-N 0 0 330.363 0.838 10 0 ECAERN Cc1cnn(CCNC(=O)[C@H]2CC(=O)N(C)[C@H]2c2cccnc2)c1 ZINC000129662881 436829228 /nfs/dbraw/zinc/82/92/28/436829228.db2.gz YAFMFPGELHFKMW-HOCLYGCPSA-N 0 0 327.388 0.922 10 0 ECAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)CN(C)S(C)(=O)=O ZINC000105849055 302758172 /nfs/dbraw/zinc/75/81/72/302758172.db2.gz UDZCCEOCYWDXPT-LBPRGKRZSA-N 0 0 328.438 0.592 10 0 ECAERN CCC(=O)N1CC[C@H](NC(=O)N2CCO[C@H](Cn3cc(C)cn3)C2)C1 ZINC000135158676 436910816 /nfs/dbraw/zinc/91/08/16/436910816.db2.gz VGNIBJXOTUBONZ-GJZGRUSLSA-N 0 0 349.435 0.613 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)CNC(=O)CC2CCCC2)C1 ZINC000263406072 436965047 /nfs/dbraw/zinc/96/50/47/436965047.db2.gz HTSABTSHQFJSGQ-UHFFFAOYSA-N 0 0 339.436 0.737 10 0 ECAERN CN1CCO[C@@H](CNC(=O)CNC(=O)c2cc(F)cc(F)c2)C1 ZINC000171286165 436976580 /nfs/dbraw/zinc/97/65/80/436976580.db2.gz WPZWVDDSODNECE-ZDUSSCGKSA-N 0 0 327.331 0.141 10 0 ECAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)N[C@@H]3CCN(C)C3=O)C2)n1 ZINC000163865762 436928807 /nfs/dbraw/zinc/92/88/07/436928807.db2.gz ZQLJFZHADFWMDA-UONOGXRCSA-N 0 0 334.424 0.547 10 0 ECAERN C=CC(=O)NCCC(=O)NC[C@@H]1CCCN1c1cc(NC)ncn1 ZINC000163895254 436929043 /nfs/dbraw/zinc/92/90/43/436929043.db2.gz XACBTJFTPXXOBL-LBPRGKRZSA-N 0 0 332.408 0.296 10 0 ECAERN O=C(c1cccc2cn[nH]c21)N1CCN(c2ccc3nncn3n2)CC1 ZINC000136396757 436931548 /nfs/dbraw/zinc/93/15/48/436931548.db2.gz ACAGJIMEVBDFHA-UHFFFAOYSA-N 0 0 348.370 0.963 10 0 ECAERN O=C(CN1CCO[C@H]2CCCC[C@@H]21)N1CCN(c2cnccn2)CC1 ZINC000166164466 436937600 /nfs/dbraw/zinc/93/76/00/436937600.db2.gz KCMMXLUUACOSMU-HOTGVXAUSA-N 0 0 345.447 0.769 10 0 ECAERN C[N@@H+](CC(=O)[O-])C[C@H]1CN(C(=O)c2ccc3c(c2)OCO3)CCO1 ZINC000262933320 436944463 /nfs/dbraw/zinc/94/44/63/436944463.db2.gz MJTDWDWJJVUYTH-LBPRGKRZSA-N 0 0 336.344 0.273 10 0 ECAERN COc1ccc(C(=O)N2CCO[C@H](C[N@H+](C)CC(=O)[O-])C2)c(C)c1 ZINC000262968223 436946342 /nfs/dbraw/zinc/94/63/42/436946342.db2.gz RGSRCJNXTJCJOI-CQSZACIVSA-N 0 0 336.388 0.861 10 0 ECAERN COc1cccc(CC(=O)N2CCO[C@@H](C[N@H+](C)CC(=O)[O-])C2)c1 ZINC000263019043 436949800 /nfs/dbraw/zinc/94/98/00/436949800.db2.gz ZUPAQKDNQQGJPZ-HNNXBMFYSA-N 0 0 336.388 0.482 10 0 ECAERN C[C@H](CC(=O)NC[C@H]1CN(C)CCO1)NC(=O)C1CCCCC1 ZINC000170758451 436953823 /nfs/dbraw/zinc/95/38/23/436953823.db2.gz ZSQZVDSIWNURLG-HIFRSBDPSA-N 0 0 325.453 0.908 10 0 ECAERN C[C@@H]1C[C@@H]1NC(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 ZINC000170814387 436955223 /nfs/dbraw/zinc/95/52/23/436955223.db2.gz WNQOMQYKEAMPEO-KGLIPLIRSA-N 0 0 331.420 0.828 10 0 ECAERN CS(=O)(=O)c1ccc(OCCNC(=O)[C@H]2CC(F)(F)CN2)cc1 ZINC000263294243 436960368 /nfs/dbraw/zinc/96/03/68/436960368.db2.gz WDAGQHMDSJNQOB-GFCCVEGCSA-N 0 0 348.371 0.582 10 0 ECAERN CC[C@@H]1CN(C(=O)CNC(=O)c2ccccn2)CC[N@@H+]1CCOC ZINC000172552990 437019526 /nfs/dbraw/zinc/01/95/26/437019526.db2.gz PPMCZDVCKNYHDC-CQSZACIVSA-N 0 0 334.420 0.381 10 0 ECAERN CNC(=O)c1ccc(CN(C)C(=O)N[C@H]2CCc3ncnn3C2)cc1 ZINC000172604568 437022368 /nfs/dbraw/zinc/02/23/68/437022368.db2.gz WNNHKYGIHVXHPC-AWEZNQCLSA-N 0 0 342.403 0.794 10 0 ECAERN CC(=O)N1CCCN(C(=O)N[C@H]2CCc3nc(C(C)C)nn3C2)CC1 ZINC000172606804 437022441 /nfs/dbraw/zinc/02/24/41/437022441.db2.gz QARCJMDOOJHUNI-AWEZNQCLSA-N 0 0 348.451 0.980 10 0 ECAERN Cc1csc(=O)n1CCC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000172744987 437027070 /nfs/dbraw/zinc/02/70/70/437027070.db2.gz HGLWUQDRGWWCKR-ZDUSSCGKSA-N 0 0 325.434 0.541 10 0 ECAERN O=C([C@@H]1CC(=O)N(C2CCCC2)C1)N1CC[C@H](N2CCOCC2)C1 ZINC000172748291 437027464 /nfs/dbraw/zinc/02/74/64/437027464.db2.gz BDBPBJHWJJAHRE-ZBFHGGJFSA-N 0 0 335.448 0.711 10 0 ECAERN O=C(c1ccc(-n2ccnc2)nc1)N1CC[C@H](N2CCOCC2)C1 ZINC000172766951 437030263 /nfs/dbraw/zinc/03/02/63/437030263.db2.gz SYWCYOOAYZFCPI-HNNXBMFYSA-N 0 0 327.388 0.814 10 0 ECAERN COCCn1cc(NC(=O)N2CCO[C@H](Cn3cccn3)C2)cn1 ZINC000171816769 436989377 /nfs/dbraw/zinc/98/93/77/436989377.db2.gz DONWZDGILQHAFM-AWEZNQCLSA-N 0 0 334.380 0.659 10 0 ECAERN CCn1cc(CN2CCCN(C(=O)CCn3ccnn3)CC2)cn1 ZINC000171810288 436989917 /nfs/dbraw/zinc/98/99/17/436989917.db2.gz HCNCAHWKPXQJSG-UHFFFAOYSA-N 0 0 331.424 0.619 10 0 ECAERN Cc1noc([C@@H](C)N2CCN(C(=O)N[C@@H](C)C(=O)N(C)C)CC2)n1 ZINC000171901641 436990994 /nfs/dbraw/zinc/99/09/94/436990994.db2.gz HFHWZUBRWVCOCC-WDEREUQCSA-N 0 0 338.412 0.243 10 0 ECAERN O=C(c1cncc(O)c1)N1CCN(c2ccc3nncn3n2)CC1 ZINC000172364678 437012118 /nfs/dbraw/zinc/01/21/18/437012118.db2.gz VRFJJGUPVCSKIR-UHFFFAOYSA-N 0 0 325.332 0.187 10 0 ECAERN O=C(c1ccc(-n2cnnn2)cc1)N1CCC[C@H](Cn2cncn2)C1 ZINC000172398724 437013163 /nfs/dbraw/zinc/01/31/63/437013163.db2.gz HOTIZDUHCFVCCD-ZDUSSCGKSA-N 0 0 338.375 0.806 10 0 ECAERN CCOCCCNC(=O)[C@H](C)N1CCO[C@H](c2nnc(C)[nH]2)C1 ZINC000173354822 437045942 /nfs/dbraw/zinc/04/59/42/437045942.db2.gz AXGVHVNVFYJQQZ-AAEUAGOBSA-N 0 0 325.413 0.418 10 0 ECAERN CNc1cc(N2CCC[C@H]2CNC(=O)N(CCO)C2CC2)ncn1 ZINC000173429122 437050484 /nfs/dbraw/zinc/05/04/84/437050484.db2.gz WLKBSLCDNYBKBN-ZDUSSCGKSA-N 0 0 334.424 0.653 10 0 ECAERN CNc1cc(N2CCC[C@@H]2CNC(=O)c2cc(C)nn2C)ncn1 ZINC000173431937 437050957 /nfs/dbraw/zinc/05/09/57/437050957.db2.gz GFUHFDLHLFYSAD-GFCCVEGCSA-N 0 0 329.408 0.959 10 0 ECAERN CCCN(CCO)C(=O)N[C@@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000173561061 437055916 /nfs/dbraw/zinc/05/59/16/437055916.db2.gz BWQVINQTBMQORG-CYBMUJFWSA-N 0 0 337.424 0.638 10 0 ECAERN Cc1nnc([C@H]2CN(C(=O)CCNC(=O)c3ccco3)CCO2)[nH]1 ZINC000173542498 437056121 /nfs/dbraw/zinc/05/61/21/437056121.db2.gz GYZYYUDLFQETQY-GFCCVEGCSA-N 0 0 333.348 0.426 10 0 ECAERN CCc1nnc([C@H]2CN(C(=O)[C@H](C)NC(=O)c3ccco3)CCO2)[nH]1 ZINC000173559001 437056830 /nfs/dbraw/zinc/05/68/30/437056830.db2.gz YXMDBTVDAOTHJP-CMPLNLGQSA-N 0 0 347.375 0.679 10 0 ECAERN CC(C)c1nc([C@H]2CCCN2C(=O)[C@H](C)NS(C)(=O)=O)no1 ZINC000173754068 437061730 /nfs/dbraw/zinc/06/17/30/437061730.db2.gz WZVFWVCOHPXHSS-VHSXEESVSA-N 0 0 330.410 0.794 10 0 ECAERN O=C(c1cncn1-c1ccc(F)cc1)N1CC[C@@](O)(c2cn[nH]n2)C1 ZINC000284692702 437062466 /nfs/dbraw/zinc/06/24/66/437062466.db2.gz SQUFQUJDANLDFW-INIZCTEOSA-N 0 0 342.334 0.863 10 0 ECAERN Cc1csc(=O)n1CCC(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000173837673 437066319 /nfs/dbraw/zinc/06/63/19/437066319.db2.gz KBXDFHYMUAXPQE-JSGCOSHPSA-N 0 0 339.461 0.787 10 0 ECAERN CC(C)NC(=O)CCCC(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000173832354 437066445 /nfs/dbraw/zinc/06/64/45/437066445.db2.gz KQRBKGNNINAPDI-CABCVRRESA-N 0 0 325.453 0.860 10 0 ECAERN Cc1cc(C)cc(C(=O)NCC(=O)N2CC[C@H](N3CCOCC3)C2)c1 ZINC000173921427 437067385 /nfs/dbraw/zinc/06/73/85/437067385.db2.gz SBTBCHIRYPBSGV-KRWDZBQOSA-N 0 0 345.443 0.966 10 0 ECAERN O=S(=O)(c1ccc2c(c1)CCO2)N1CC[C@@H](N2CCOCC2)C1 ZINC000173999629 437070585 /nfs/dbraw/zinc/07/05/85/437070585.db2.gz HDHYBYWVWUUTGF-CQSZACIVSA-N 0 0 338.429 0.717 10 0 ECAERN COCCN1C(=O)N[C@@H]2CN(c3cc(=O)n4ccccc4n3)CC[C@@H]21 ZINC000299743935 437107330 /nfs/dbraw/zinc/10/73/30/437107330.db2.gz QBEUBBRXLALZNJ-OLZOCXBDSA-N 0 0 343.387 0.313 10 0 ECAERN CC[C@@H](NC(=O)N(C)C[C@@H]1CCC[N@@H+]1CC)C(=O)N1CCOCC1 ZINC000176623515 437150985 /nfs/dbraw/zinc/15/09/85/437150985.db2.gz OFVQWEZWLYGUBX-LSDHHAIUSA-N 0 0 340.468 0.750 10 0 ECAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)CCN1CCCS1(=O)=O ZINC000176664501 437153233 /nfs/dbraw/zinc/15/32/33/437153233.db2.gz ZRMQUFXSAVFQFK-NSHDSACASA-N 0 0 341.437 0.217 10 0 ECAERN CNS(=O)(=O)c1ccc(N2CCCN(c3cccnn3)CC2)nc1 ZINC000301383889 437120950 /nfs/dbraw/zinc/12/09/50/437120950.db2.gz UMLDIGKQVRFCOJ-UHFFFAOYSA-N 0 0 348.432 0.496 10 0 ECAERN Cc1cc(N2CCC[C@H](NC(=O)NC3(CO)CCCC3)C2=O)n(C)n1 ZINC000177609646 437192750 /nfs/dbraw/zinc/19/27/50/437192750.db2.gz QXOIBBKVZXTSPJ-ZDUSSCGKSA-N 0 0 349.435 0.828 10 0 ECAERN Cc1ccccc1-c1noc([C@@H](C)S(=O)(=O)C[C@@H](O)CO)n1 ZINC000177670708 437193636 /nfs/dbraw/zinc/19/36/36/437193636.db2.gz OQFNQTYAYIYZRN-MNOVXSKESA-N 0 0 326.374 0.874 10 0 ECAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)Cn1cnc2ccccc2c1=O ZINC000177678188 437194853 /nfs/dbraw/zinc/19/48/53/437194853.db2.gz ZLAGQJARWHHKMM-CQSZACIVSA-N 0 0 338.371 0.948 10 0 ECAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)NC[C@@](C)(O)C(C)C ZINC000177686628 437195239 /nfs/dbraw/zinc/19/52/39/437195239.db2.gz IEBNPOVCJGJDRZ-IAQYHMDHSA-N 0 0 325.413 0.966 10 0 ECAERN O=C([C@@H]1CC(=O)N(c2cn[nH]c2)C1)N1CCC(c2cc[nH]n2)CC1 ZINC000178261366 437210157 /nfs/dbraw/zinc/21/01/57/437210157.db2.gz VCUSATRBXMVZBE-GFCCVEGCSA-N 0 0 328.376 0.892 10 0 ECAERN O=C([C@H]1CC(=O)N(c2cn[nH]c2)C1)N1CCO[C@H](c2nccs2)C1 ZINC000178223719 437210304 /nfs/dbraw/zinc/21/03/04/437210304.db2.gz JWCLFVRDTOEDOD-JQWIXIFHSA-N 0 0 347.400 0.819 10 0 ECAERN Cc1nn(C)c(CN2CCC[C@@](O)(C(N)=O)C2)c1Br ZINC000311924959 437170922 /nfs/dbraw/zinc/17/09/22/437170922.db2.gz FJWOLCVILINKEP-LBPRGKRZSA-N 0 0 331.214 0.303 10 0 ECAERN C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000178624453 437220569 /nfs/dbraw/zinc/22/05/69/437220569.db2.gz YRONWLJERXZARU-DGCLKSJQSA-N 0 0 329.404 0.963 10 0 ECAERN NS(=O)(=O)c1cccc(NC(=O)CN2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000178622860 437220898 /nfs/dbraw/zinc/22/08/98/437220898.db2.gz ORYKLXPFBSBNBP-CYBMUJFWSA-N 0 0 338.433 0.053 10 0 ECAERN Cc1ccc2[nH]nc(C(=O)N3CCO[C@H](C[N@@H+](C)CC(=O)[O-])C3)c2c1 ZINC000328602584 437237585 /nfs/dbraw/zinc/23/75/85/437237585.db2.gz CEHRFVKUANYKHA-GFCCVEGCSA-N 0 0 346.387 0.729 10 0 ECAERN Cc1nnc2n1CCN(C1CN(C(=O)Cc3ccccc3F)C1)C2 ZINC000328626010 437241022 /nfs/dbraw/zinc/24/10/22/437241022.db2.gz DRRRSNDGNRFWPO-UHFFFAOYSA-N 0 0 329.379 0.995 10 0 ECAERN CNC(=O)c1ccc([C@H]2CCCCN2c2ccc3nnnn3n2)n1C ZINC000328623460 437241834 /nfs/dbraw/zinc/24/18/34/437241834.db2.gz JEUTWFCSPTYQAI-GFCCVEGCSA-N 0 0 340.391 0.949 10 0 ECAERN CN(C[C@@H]1C[C@H](F)CN1Cc1cncnc1)C(=O)CCn1cncn1 ZINC000328626215 437242049 /nfs/dbraw/zinc/24/20/49/437242049.db2.gz DWEDZCCDZJVCOC-GJZGRUSLSA-N 0 0 347.398 0.529 10 0 ECAERN CCN(Cc1nnc(C)o1)[C@@H]1CN(C(=O)C2=COCCC2)C[C@H]1O ZINC000328646085 437246080 /nfs/dbraw/zinc/24/60/80/437246080.db2.gz SIMHYZROZRXHOW-ZIAGYGMSSA-N 0 0 336.392 0.466 10 0 ECAERN CCN(Cc1nnc(C)o1)[C@H]1CN(C(=O)C2=COCCC2)C[C@H]1O ZINC000328646082 437247301 /nfs/dbraw/zinc/24/73/01/437247301.db2.gz SIMHYZROZRXHOW-UONOGXRCSA-N 0 0 336.392 0.466 10 0 ECAERN Cc1nc(S(=O)(=O)N[C@@H]2CCO[C@H]2C)c(Br)n1C ZINC000287883791 437248100 /nfs/dbraw/zinc/24/81/00/437248100.db2.gz QWENKKOKAYLLGM-POYBYMJQSA-N 0 0 338.227 0.947 10 0 ECAERN CCn1c2ccc(C(=O)N[C@H]3CCCC[C@H]3CO)cc2[nH]c(=O)c1=O ZINC000179254188 437257126 /nfs/dbraw/zinc/25/71/26/437257126.db2.gz HWWNWMWPZPQXNR-STQMWFEESA-N 0 0 345.399 0.991 10 0 ECAERN O=C(COc1ncccn1)NCc1nccc(N2CCCCC2)n1 ZINC000224161936 303634744 /nfs/dbraw/zinc/63/47/44/303634744.db2.gz NFQLCIJGNKRDFT-UHFFFAOYSA-N 0 0 328.376 0.952 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)Nc2cc(C(N)=O)ccc2F)CC1 ZINC000181175221 437313746 /nfs/dbraw/zinc/31/37/46/437313746.db2.gz FBVTXJJHAQAFSU-GFCCVEGCSA-N 0 0 338.383 0.845 10 0 ECAERN CN(C[C@H](O)CN1C(=O)c2ccccc2C1=O)C[C@H](O)C(F)(F)F ZINC000181242907 437314895 /nfs/dbraw/zinc/31/48/95/437314895.db2.gz HKCQZSZGGKHEAN-CABZTGNLSA-N 0 0 346.305 0.499 10 0 ECAERN CC(C)(C)n1nccc1NC(=O)C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000180716552 437301497 /nfs/dbraw/zinc/30/14/97/437301497.db2.gz GMLKMPZQRZSZAM-ZDUSSCGKSA-N 0 0 349.435 0.510 10 0 ECAERN Cc1cc(N2CCC[C@@H](N[C@H](C)CS(C)(=O)=O)C2=O)n(C)n1 ZINC000182334135 437346639 /nfs/dbraw/zinc/34/66/39/437346639.db2.gz UIRYVVNRVCNTSS-VXGBXAGGSA-N 0 0 328.438 0.247 10 0 ECAERN CC[C@H](O)CN1CCN(S(=O)(=O)c2ncn(C)c2Cl)CC1 ZINC000182402438 437347612 /nfs/dbraw/zinc/34/76/12/437347612.db2.gz HDMUZXPOQVFLMQ-JTQLQIEISA-N 0 0 336.845 0.151 10 0 ECAERN C[C@@H]1CN(C(=O)Cc2ccc3c(c2)NC(=O)C3)C[C@H]1N1CCOCC1 ZINC000182484136 437351891 /nfs/dbraw/zinc/35/18/91/437351891.db2.gz MLGPLENVSBIQPU-CXAGYDPISA-N 0 0 343.427 0.903 10 0 ECAERN CC[C@@H]1CN(C(=O)N[C@@H]2CCN(C(C)C)C2=O)CC[N@@H+]1C[C@@H](C)O ZINC000181768720 437330944 /nfs/dbraw/zinc/33/09/44/437330944.db2.gz IQFAEBDYQGVUFP-RBSFLKMASA-N 0 0 340.468 0.482 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)NCCNC(=O)c2ccccc2)CC1 ZINC000184794431 437413512 /nfs/dbraw/zinc/41/35/12/437413512.db2.gz VOLSBLCLXCHSLS-INIZCTEOSA-N 0 0 348.447 0.515 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)NCc2cccc(C(=O)NC)c2)CC1 ZINC000184867232 437416414 /nfs/dbraw/zinc/41/64/14/437416414.db2.gz BUFXOCYHTRKDAP-MRXNPFEDSA-N 0 0 348.447 0.644 10 0 ECAERN CCC[C@@H]([NH2+]CCC(=O)N1CCN(c2ccccn2)CC1)C(=O)[O-] ZINC000185047327 437423179 /nfs/dbraw/zinc/42/31/79/437423179.db2.gz TWXMZNFRXQFNFY-CQSZACIVSA-N 0 0 334.420 0.963 10 0 ECAERN Cc1cc(N2CCC[C@H](NC(=O)N[C@H](C)c3nc[nH]n3)C2=O)n(C)n1 ZINC000183154676 437377640 /nfs/dbraw/zinc/37/76/40/437377640.db2.gz ZIHHKYBTGIXASQ-MNOVXSKESA-N 0 0 346.395 0.402 10 0 ECAERN C[C@H](CNC(=O)c1ccc(-c2ncn(C)n2)cc1)N1CCOCC1 ZINC000183227968 437381527 /nfs/dbraw/zinc/38/15/27/437381527.db2.gz LDLQMGYSAUTPOS-CYBMUJFWSA-N 0 0 329.404 0.933 10 0 ECAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)NCC(=O)NCC3CC3)C2)n1 ZINC000183800442 437391917 /nfs/dbraw/zinc/39/19/17/437391917.db2.gz OKPRGYVUQKJPCF-HNNXBMFYSA-N 0 0 348.451 0.843 10 0 ECAERN Cc1cc(N2CCC[C@@H](Nc3ccnc(C(N)=O)c3)C2=O)n(C)n1 ZINC000184043074 437396004 /nfs/dbraw/zinc/39/60/04/437396004.db2.gz BUPJXZKBPMJRHV-GFCCVEGCSA-N 0 0 328.376 0.830 10 0 ECAERN COCC(=O)NC1CN(C(=O)c2cc(Br)ccc2O)C1 ZINC000186309100 437470551 /nfs/dbraw/zinc/47/05/51/437470551.db2.gz CVRKFIDISIBDSJ-UHFFFAOYSA-N 0 0 343.177 0.742 10 0 ECAERN COCC(=O)NC1CN(C(=O)c2cc3cnn(C(C)C)c3nc2C)C1 ZINC000185226769 437433102 /nfs/dbraw/zinc/43/31/02/437433102.db2.gz HPTRDMVRUQVLBQ-UHFFFAOYSA-N 0 0 345.403 0.908 10 0 ECAERN COCC(=O)NC1CN(C(=O)Cc2c[nH]c3cccc(OC)c23)C1 ZINC000185281115 437434734 /nfs/dbraw/zinc/43/47/34/437434734.db2.gz TXIPOCHVFZUYFK-UHFFFAOYSA-N 0 0 331.372 0.692 10 0 ECAERN COCC(=O)NC1CN(C(=O)NCCc2ccc(Cl)nc2)C1 ZINC000185658791 437446770 /nfs/dbraw/zinc/44/67/70/437446770.db2.gz JZKPZPFTVZLJTA-UHFFFAOYSA-N 0 0 326.784 0.434 10 0 ECAERN CN1CCO[C@@H](CNC(=O)N2CCC(C(=O)C(F)(F)F)CC2)C1 ZINC000187813863 437516229 /nfs/dbraw/zinc/51/62/29/437516229.db2.gz SIHRFPQVBCPKPA-NSHDSACASA-N 0 0 337.342 0.870 10 0 ECAERN CN(C)c1ccccc1NC(=O)C(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188020982 437520926 /nfs/dbraw/zinc/52/09/26/437520926.db2.gz SUYAVBLWGJEWQM-UHFFFAOYSA-N 0 0 344.415 0.818 10 0 ECAERN Cc1nc2c(c(=O)[nH]n2C)c(C)c1CC(=O)N1CCCNC(=O)[C@H]1C ZINC000188096881 437525108 /nfs/dbraw/zinc/52/51/08/437525108.db2.gz WQAGHZBCZJTNDJ-LLVKDONJSA-N 0 0 345.403 0.158 10 0 ECAERN COCC(=O)NC1CN(C(=O)NC[C@@H](C)N2CCc3ccccc32)C1 ZINC000188415100 437546997 /nfs/dbraw/zinc/54/69/97/437546997.db2.gz MFZFEJHERNHLNR-CYBMUJFWSA-N 0 0 346.431 0.594 10 0 ECAERN CCc1cnc(NC(=O)C(=O)N2CCN(C[C@H](O)CC)CC2)s1 ZINC000190822199 437638811 /nfs/dbraw/zinc/63/88/11/437638811.db2.gz QHOOBSZIGKBMCR-LLVKDONJSA-N 0 0 340.449 0.559 10 0 ECAERN CCc1cnc(NC(=O)C(=O)N2CCN(C[C@@H](O)CC)CC2)s1 ZINC000190822218 437638904 /nfs/dbraw/zinc/63/89/04/437638904.db2.gz QHOOBSZIGKBMCR-NSHDSACASA-N 0 0 340.449 0.559 10 0 ECAERN CNC(=O)[C@H](NC(=O)C(=O)Nc1ccnn1[C@@H](C)C1CC1)C(C)C ZINC000192057226 437664271 /nfs/dbraw/zinc/66/42/71/437664271.db2.gz CFQZBMWSSOTWMX-GXFFZTMASA-N 0 0 335.408 0.679 10 0 ECAERN CO[C@H]1C[C@H](C(=O)NC[C@]2(C)CCCC[C@H]2O)N(S(C)(=O)=O)C1 ZINC000365135813 437861818 /nfs/dbraw/zinc/86/18/18/437861818.db2.gz TURPYIUBMMFFPO-JLNYLFASSA-N 0 0 348.465 0.093 10 0 ECAERN C[C@H](O)C[C@@H]1COCCN1C(=O)N[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000366467388 438078873 /nfs/dbraw/zinc/07/88/73/438078873.db2.gz SJPQLVFMFFTNJO-REWJHTLYSA-N 0 0 348.465 0.524 10 0 ECAERN CN(C[C@@H]1C[C@H](F)CN1Cc1ncccn1)C(=O)Cc1cc[nH]n1 ZINC000433225406 438233892 /nfs/dbraw/zinc/23/38/92/438233892.db2.gz BJAWVQMVMKUHEQ-JSGCOSHPSA-N 0 0 332.383 0.813 10 0 ECAERN CNc1ccc(C(=O)N2CC[C@H](N(C)Cc3noc(C)n3)C2)cn1 ZINC000367689888 438239219 /nfs/dbraw/zinc/23/92/19/438239219.db2.gz QKXWAWBDVUIULW-ZDUSSCGKSA-N 0 0 330.392 1.161 10 0 ECAERN CCc1c(C(=O)N2C[C@H](C(N)=O)[C@@H](c3cnn(C)c3C)C2)ccn1C ZINC000527579132 439297431 /nfs/dbraw/zinc/29/74/31/439297431.db2.gz HEFFDCXWFPVNLZ-CABCVRRESA-N 0 0 343.431 0.971 10 0 ECAERN CCn1nccc1S(=O)(=O)N1CCOC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000583616368 439487351 /nfs/dbraw/zinc/48/73/51/439487351.db2.gz JTADKURSSWFFPC-UPJWGTAASA-N 0 0 329.422 0.454 10 0 ECAERN CS(=O)(=O)NCC(=O)NC[C@@H]1C[C@H](F)CN1Cc1cccs1 ZINC000583622094 439488605 /nfs/dbraw/zinc/48/86/05/439488605.db2.gz LKBSFZWYQNHILM-QWRGUYRKSA-N 0 0 349.453 0.326 10 0 ECAERN CCn1cc(S(=O)(=O)N2C[C@H](OC)C[C@H]2c2ncc[nH]2)cn1 ZINC000643719099 440279713 /nfs/dbraw/zinc/27/97/13/440279713.db2.gz RWTNWDPAZCPVAS-PWSUYJOCSA-N 0 0 325.394 0.777 10 0 ECAERN COC[C@@]1(C(=O)[O-])CCC[N@@H+]1CCN1C(=O)c2ccccc2C1=O ZINC000643880560 440371959 /nfs/dbraw/zinc/37/19/59/440371959.db2.gz SAUGHZHIYNBXDF-QGZVFWFLSA-N 0 0 332.356 0.848 10 0 ECAERN CN(Cc1cc(Cl)cn1C)C(=O)C[C@@H]1CS(=O)(=O)CCN1C ZINC000644386950 440560503 /nfs/dbraw/zinc/56/05/03/440560503.db2.gz VPOKWRTVORIORE-CYBMUJFWSA-N 0 0 347.868 0.756 10 0 ECAERN O=C([O-])[C@@H]1CC[C@@H](C(=O)N2CCN(c3ccccc3)C(=O)C2)C[NH2+]1 ZINC000630706631 440943895 /nfs/dbraw/zinc/94/38/95/440943895.db2.gz ODVPLHPJTMOMGY-OCCSQVGLSA-N 0 0 331.372 0.315 10 0 ECAERN CN(C)C(=O)CCNC(=O)[C@H]1CC[C@H](C(=O)[O-])N1Cc1ccccc1 ZINC000630659379 440934033 /nfs/dbraw/zinc/93/40/33/440934033.db2.gz SECFKQNDZUZUTK-HUUCEWRRSA-N 0 0 347.415 0.699 10 0 ECAERN COC(C)(C)CNC(=O)N[C@@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000173967882 320518612 /nfs/dbraw/zinc/51/86/12/320518612.db2.gz CLFMSLMEDDXIGI-GFCCVEGCSA-N 0 0 337.424 0.948 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)N[C@@H]2CC(=O)N(C(C)(C)C)C2)CC1 ZINC000181926488 320528150 /nfs/dbraw/zinc/52/81/50/320528150.db2.gz RFYKZIZCVBFDLA-ZIAGYGMSSA-N 0 0 340.468 0.484 10 0 ECAERN COCCn1ccc(C(=O)N2CCO[C@H](Cn3cc(C)cn3)C2)n1 ZINC000189787595 320539540 /nfs/dbraw/zinc/53/95/40/320539540.db2.gz OTUPMCTZUTXRFY-AWEZNQCLSA-N 0 0 333.392 0.576 10 0 ECAERN C[C@@H]1C(=O)N(C)CCN1S(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C ZINC000249447385 320546467 /nfs/dbraw/zinc/54/64/67/320546467.db2.gz LKKZVLCQPIMFCS-WQGACYEGSA-N 0 0 342.461 0.874 10 0 ECAERN O=C(C1CCCC1)N1CC(S(=O)(=O)N2CCC[C@](F)(CO)C2)C1 ZINC000329238189 320761658 /nfs/dbraw/zinc/76/16/58/320761658.db2.gz PNCFVTKJODNBPP-OAHLLOKOSA-N 0 0 348.440 0.514 10 0 ECAERN Cc1nccnc1N1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]23)CC1 ZINC000329568153 320779009 /nfs/dbraw/zinc/77/90/09/320779009.db2.gz LMYXSOCHRSDWGP-RRFJBIMHSA-N 0 0 332.404 0.485 10 0 ECAERN O=C(CC1(C(=O)N2CC(n3ccnn3)C2)CCCC1)N1CCOCC1 ZINC000329574855 320779587 /nfs/dbraw/zinc/77/95/87/320779587.db2.gz VMDWBUALUZWXHJ-UHFFFAOYSA-N 0 0 347.419 0.471 10 0 ECAERN O=S(=O)(c1ccc(Br)cn1)N1CC(n2ccnn2)C1 ZINC000329581262 320779803 /nfs/dbraw/zinc/77/98/03/320779803.db2.gz XCOYYOYQZHFDQG-UHFFFAOYSA-N 0 0 344.194 0.681 10 0 ECAERN O=C(c1cnc2ccccn2c1=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000329730988 320787179 /nfs/dbraw/zinc/78/71/79/320787179.db2.gz IBMHCWMDTYEGHL-CYBMUJFWSA-N 0 0 328.372 0.241 10 0 ECAERN C[C@H](NC(=O)[C@@H]1CC(F)(F)CN1)c1ccc(S(N)(=O)=O)cc1 ZINC000263105335 518183036 /nfs/dbraw/zinc/18/30/36/518183036.db2.gz ZTENILREIYLZEJ-KWQFWETISA-N 0 0 333.360 0.508 10 0 ECAERN CC(=O)N1CCN(c2cccc(NC(=O)C(=O)N[C@H]3C[C@@H]3C)c2)CC1 ZINC000187383615 526634504 /nfs/dbraw/zinc/63/45/04/526634504.db2.gz AOJHNZGVPLFVQD-LRDDRELGSA-N 0 0 344.415 0.818 10 0 ECAERN CCOCCN1CCN(CC(=O)NC(=O)NCC(C)C)C[C@@H]1C ZINC000105834401 545739975 /nfs/dbraw/zinc/73/99/75/545739975.db2.gz DCEZOOWWBVLETD-AWEZNQCLSA-N 0 0 328.457 0.511 10 0 ECAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N[C@H]1CC[C@H](CO)CC1 ZINC000152189611 545814822 /nfs/dbraw/zinc/81/48/22/545814822.db2.gz VWUHOCCLGOWGIK-MJBXVCDLSA-N 0 0 332.466 0.858 10 0 ECAERN COCCN1CCN(C(=O)C(=O)Nc2cnn(CC3CC3)c2)C[C@H]1C ZINC000177938814 545875778 /nfs/dbraw/zinc/87/57/78/545875778.db2.gz IYFCMXILZAAIMO-CYBMUJFWSA-N 0 0 349.435 0.411 10 0 ECAERN Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2CO)cc1S(N)(=O)=O ZINC000179236562 545881634 /nfs/dbraw/zinc/88/16/34/545881634.db2.gz OOSHNZBKCSYFSV-QWHCGFSZSA-N 0 0 326.418 0.923 10 0 ECAERN CNC(=O)[C@H](NC(=O)C(=O)Nc1ccnn1-c1ccccc1)C(C)C ZINC000179434319 545883495 /nfs/dbraw/zinc/88/34/95/545883495.db2.gz FGSHMFWILKJALS-CQSZACIVSA-N 0 0 343.387 0.698 10 0 ECAERN Cc1ccc(S(=O)(=O)N2C[C@@H](O)[C@H](Oc3cnn(C)c3)C2)o1 ZINC000625311231 547068095 /nfs/dbraw/zinc/06/80/95/547068095.db2.gz AOHAXVJFSLZEAI-VXGBXAGGSA-N 0 0 327.362 0.134 10 0 ECAERN CC[C@@H](C)c1nnc(N2CC[C@@H](n3cc(C(N)=O)nn3)C2)n1CC ZINC000669099006 547828025 /nfs/dbraw/zinc/82/80/25/547828025.db2.gz LFSGFTWCBCJKMD-GHMZBOCLSA-N 0 0 332.412 0.953 10 0 ECAERN O=C(c1ncccc1C(F)(F)F)N1CC[C@](O)(Cn2ccnn2)C1 ZINC000671606574 548204230 /nfs/dbraw/zinc/20/42/30/548204230.db2.gz KNVRARZWOCBGPE-CYBMUJFWSA-N 0 0 341.293 0.969 10 0 ECAERN COC(=O)[C@@H](CNC(=O)OC(C)(C)C)n1cc(S(C)(=O)=O)cn1 ZINC000725250824 549729740 /nfs/dbraw/zinc/72/97/40/549729740.db2.gz NDAXAHURXSAQAU-SNVBAGLBSA-N 0 0 347.393 0.525 10 0 ECAERN O=S(=O)(CCC(F)(F)F)N1CCC[C@@](O)(c2cn[nH]n2)C1 ZINC000793894272 578564510 /nfs/dbraw/zinc/56/45/10/578564510.db2.gz GTKOJGZLWHCQRT-VIFPVBQESA-N 0 0 328.316 0.370 10 0 ECAERN Cc1noc(C[C@@]2(O)CCCN(CC(=O)N(C)Cc3ccco3)C2)n1 ZINC000888076889 586246120 /nfs/dbraw/zinc/24/61/20/586246120.db2.gz UIZCNINDAHPNAZ-KRWDZBQOSA-N 0 0 348.403 0.999 10 0 ECAERN COc1ccc(CNC(=O)c2cn([C@@H]3COC[C@H]3O)nn2)c(C)c1 ZINC000888093567 586348704 /nfs/dbraw/zinc/34/87/04/586348704.db2.gz GXGAUXXPNKEIOY-HUUCEWRRSA-N 0 0 332.360 0.457 10 0 ECAERN CN(C)c1nc([C@H]2CCN(C(=O)Cc3ccnn3C)C2)cc(=O)[nH]1 ZINC000888094805 586348791 /nfs/dbraw/zinc/34/87/91/586348791.db2.gz COSKFQQSIRMPJA-NSHDSACASA-N 0 0 330.392 0.540 10 0 ECAERN CNC(=O)c1nc(C2CCN(C(=O)[C@H]3[C@@H](C)C3(F)F)CC2)n[nH]1 ZINC000888094212 586349019 /nfs/dbraw/zinc/34/90/19/586349019.db2.gz FMGAVVJWWOBMTO-VXNVDRBHSA-N 0 0 327.335 0.772 10 0 ECAERN Cc1nn(C)c(C)c1CCC(=O)N[C@H]1COC[C@H]1Oc1cnn(C)c1 ZINC000888094336 586349042 /nfs/dbraw/zinc/34/90/42/586349042.db2.gz KRXJPBPPJFSMQB-JKSUJKDBSA-N 0 0 347.419 0.666 10 0 ECAERN Cn1cc(O[C@@H]2CCC[C@@H]2NC(=O)CN2CCN(C3CC3)C2=O)cn1 ZINC000888095293 586349383 /nfs/dbraw/zinc/34/93/83/586349383.db2.gz WZMCVMITRFEBEU-LSDHHAIUSA-N 0 0 347.419 0.736 10 0 ECAERN Cc1cc(CC(=O)N2CC[C@@H](c3cc(=O)[nH]c(N(C)C)n3)C2)n(C)n1 ZINC000888095355 586349477 /nfs/dbraw/zinc/34/94/77/586349477.db2.gz YXOAZGJSIFNSII-GFCCVEGCSA-N 0 0 344.419 0.849 10 0 ECAERN Cc1n[nH]cc1C(=O)NC[C@H]1CCC(=O)N(C)[C@@H]1c1cnn(C)c1 ZINC000888102561 586350779 /nfs/dbraw/zinc/35/07/79/586350779.db2.gz AVVRHWNCDSTBSD-ABAIWWIYSA-N 0 0 330.392 0.791 10 0 ECAERN CC(=O)N1CC(OCC(=O)N2CC[C@@H](n3cc(C4CC4)nn3)C2)C1 ZINC000899090293 586469940 /nfs/dbraw/zinc/46/99/40/586469940.db2.gz XQNDMFYXEHEART-CYBMUJFWSA-N 0 0 333.392 0.176 10 0 ECAERN CC[C@@H]1CN(C(=O)c2ccnc3[nH]c(=O)[nH]c32)C[C@H]1N1CCOCC1 ZINC000900879365 586672118 /nfs/dbraw/zinc/67/21/18/586672118.db2.gz KKXKOKYPAPIOHY-DGCLKSJQSA-N 0 0 345.403 0.846 10 0 ECAERN COc1ccc(CCNC(=O)[C@@H]2Cn3c(C)nnc3CN2)cc1F ZINC000818111338 587404024 /nfs/dbraw/zinc/40/40/24/587404024.db2.gz NGPOOYZPOZMUHF-ZDUSSCGKSA-N 0 0 333.367 0.565 10 0 ECAERN O=C(C[C@H]1CC(=O)NC1=O)N1CC[C@@](O)(Cc2ccc(F)cc2)C1 ZINC000823113541 587702822 /nfs/dbraw/zinc/70/28/22/587702822.db2.gz AKQWVJPFUGFOAJ-SJKOYZFVSA-N 0 0 334.347 0.384 10 0 ECAERN CCOC(Cn1cc(C(=O)NCCn2cc(C)cn2)nn1)OCC ZINC000117808999 589810855 /nfs/dbraw/zinc/81/08/55/589810855.db2.gz WQUWHHUVODGADV-UHFFFAOYSA-N 0 0 336.396 0.612 10 0 ECAERN COCC(=O)N1C[C@@H](O)[C@H](Oc2cnn(Cc3ccccc3)c2)C1 ZINC000862336338 589937850 /nfs/dbraw/zinc/93/78/50/589937850.db2.gz BIEZZBIUIZEDIV-HZPDHXFCSA-N 0 0 331.372 0.528 10 0 ECAERN CNC(=O)c1nn(CN2C[C@H](C)O[C@@H](C)C2)c(=O)c2ccccc21 ZINC000014182613 589946802 /nfs/dbraw/zinc/94/68/02/589946802.db2.gz OKPKZZQXJHVYOY-RYUDHWBXSA-N 0 0 330.388 0.823 10 0 ECAERN Cn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2cccc3[nH]cnc32)cn1 ZINC000862923829 589974446 /nfs/dbraw/zinc/97/44/46/589974446.db2.gz IUOCUCXGBYFWLS-UONOGXRCSA-N 0 0 327.344 0.873 10 0 ECAERN CC[C@@]1(c2cnn(C)c2)NC(=O)N(CN2CCC([C@@H](C)O)CC2)C1=O ZINC000124197656 590139001 /nfs/dbraw/zinc/13/90/01/590139001.db2.gz LIWHAJKAWPEPPQ-PXAZEXFGSA-N 0 0 349.435 0.628 10 0 ECAERN CC(=O)c1ccc(N2CCN(C(=O)[C@@H](C)NC(N)=O)CC2)c(F)c1 ZINC000027013941 590609497 /nfs/dbraw/zinc/60/94/97/590609497.db2.gz BCNVNGYIWOVHJV-SNVBAGLBSA-N 0 0 336.367 0.734 10 0 ECAERN COc1ncc(Cl)c(N2CC[C@H]3OCCN(C(C)=O)[C@@H]3C2)n1 ZINC000886031754 590787789 /nfs/dbraw/zinc/78/77/89/590787789.db2.gz SDERJHNUHLCCKS-VXGBXAGGSA-N 0 0 326.784 0.965 10 0 ECAERN CO[C@@H]1CN(C(=O)c2ccc3c(c2)OCCO3)C[C@H]1c1cn(C)nn1 ZINC000886075304 590790690 /nfs/dbraw/zinc/79/06/90/590790690.db2.gz IKKWIXYLEIYLBR-BLLLJJGKSA-N 0 0 344.371 0.841 10 0 ECAERN COC1CN(C(=O)[C@H]2CCC(=O)N(C3CC3)[C@@H]2c2nccn2C)C1 ZINC000886074753 590790875 /nfs/dbraw/zinc/79/08/75/590790875.db2.gz UGJIYDYQOZZNKK-ZFWWWQNUSA-N 0 0 332.404 0.719 10 0 ECAERN CC(C)n1cccc1C(=O)N1CCN([C@]2(C(N)=O)CCOC2)CC1 ZINC000886077490 590791036 /nfs/dbraw/zinc/79/10/36/590791036.db2.gz AKSMHRLDUSCSFZ-QGZVFWFLSA-N 0 0 334.420 0.471 10 0 ECAERN CCn1nccc1C1CCN(C(=O)CN2CCCC[C@@H](O)C2=O)CC1 ZINC000886078165 590791674 /nfs/dbraw/zinc/79/16/74/590791674.db2.gz OOUVEZZFYWTRAY-MRXNPFEDSA-N 0 0 348.447 0.982 10 0 ECAERN COc1ccc(CNC(=O)[C@@H]2Cn3c(C)nnc3CN2)c(OC)c1 ZINC000886081884 590792784 /nfs/dbraw/zinc/79/27/84/590792784.db2.gz AWUCSEFWZVHJJA-ZDUSSCGKSA-N 0 0 331.376 0.392 10 0 ECAERN CCN1CCO[C@@H](CNc2ccc3nncn3n2)[C@@H]1c1ccnn1C ZINC000886082024 590792800 /nfs/dbraw/zinc/79/28/00/590792800.db2.gz VKFXRHKGKDBRDL-BBRMVZONSA-N 0 0 342.407 0.732 10 0 ECAERN Cc1cc(C(=O)N2CCN([C@@]3(C(N)=O)CCOC3)CC2)ccc1F ZINC000886097130 590795703 /nfs/dbraw/zinc/79/57/03/590795703.db2.gz WFLDQJWZNJEYQB-KRWDZBQOSA-N 0 0 335.379 0.536 10 0 ECAERN Cc1c(NC(=O)[C@H](C)NC2=NS(=O)(=O)c3ccccc32)cnn1C ZINC000187678073 611473568 /nfs/dbraw/zinc/47/35/68/611473568.db2.gz OADQAFLDLCDCHT-VIFPVBQESA-N 0 0 347.400 0.794 10 0 ECAERN C[C@@H]1CC[C@H](C(=O)NCC2CCN(S(=O)(=O)C(F)F)CC2)O1 ZINC000178270896 609034977 /nfs/dbraw/zinc/03/49/77/609034977.db2.gz VEACKNZDULLCFO-MWLCHTKSSA-N 0 0 340.392 0.935 10 0 ECAERN Cc1cc(C(=O)NCCc2nnc3ccccn32)nc(N(C)C)n1 ZINC000222425069 609072113 /nfs/dbraw/zinc/07/21/13/609072113.db2.gz BUWUTUZKPYTGMC-UHFFFAOYSA-N 0 0 325.376 0.866 10 0 ECAERN C[C@H](O)CNC(=O)[C@@H]1CN(C(=O)c2ccco2)Cc2cccnc21 ZINC000222678453 609105228 /nfs/dbraw/zinc/10/52/28/609105228.db2.gz FLWVJBHTLDCMCT-WCQYABFASA-N 0 0 329.356 0.911 10 0 ECAERN Cc1nn(C)c(N2CCC2)c1NC(=O)CN1CCCC[C@H](O)C1=O ZINC000913245753 609658782 /nfs/dbraw/zinc/65/87/82/609658782.db2.gz ZHAWFBCMVPHRMY-LBPRGKRZSA-N 0 0 335.408 0.251 10 0 ECAERN O=C(N[C@@H]1C[C@H](O)[C@H]1n1cccn1)[C@@H]1COCCN1C1CCCC1 ZINC000909180195 609681338 /nfs/dbraw/zinc/68/13/38/609681338.db2.gz JVTYDTQXKJBKKK-UGUYLWEFSA-N 0 0 334.420 0.317 10 0 ECAERN O=C(N[C@@H]1C[C@H](O)[C@H]1n1cccn1)[C@@H]1CCCC[C@@H]1N1CCCC1=O ZINC000909191635 609684645 /nfs/dbraw/zinc/68/46/45/609684645.db2.gz SNYVMGHVLZXWSF-KDEOKCCVSA-N 0 0 346.431 0.855 10 0 ECAERN CC(=O)N1Cc2cccnc2[C@@H](C(=O)N(C)Cc2ccnn2C)C1 ZINC000222626246 609702204 /nfs/dbraw/zinc/70/22/04/609702204.db2.gz SPNDVMJAMKBITI-HNNXBMFYSA-N 0 0 327.388 0.919 10 0 ECAERN CN(C)S(=O)(=O)c1ccc2oc(C(=O)N(C)CCO)cc2c1 ZINC000222804077 609704858 /nfs/dbraw/zinc/70/48/58/609704858.db2.gz PPAQRUWFTSUPKC-UHFFFAOYSA-N 0 0 326.374 0.747 10 0 ECAERN COC(=O)CNC(=O)[C@@H]1CCC(=O)N1Cc1c[nH]c2ccccc12 ZINC000223398496 609710138 /nfs/dbraw/zinc/71/01/38/609710138.db2.gz UGGBYWHFGWGORT-AWEZNQCLSA-N 0 0 329.356 0.948 10 0 ECAERN COc1c2c(sc1C(=O)N1CCN(S(C)(=O)=O)CC1)CCC2 ZINC000223467009 609711176 /nfs/dbraw/zinc/71/11/76/609711176.db2.gz ROMBUQQJYLXJNV-UHFFFAOYSA-N 0 0 344.458 0.963 10 0 ECAERN Cc1ccnn1CC(=O)NCC1(CN2CCOCC2)CCOCC1 ZINC000223612043 609713235 /nfs/dbraw/zinc/71/32/35/609713235.db2.gz CWQKIYKWBDAISR-UHFFFAOYSA-N 0 0 336.436 0.437 10 0 ECAERN CC(C)[C@@H]1Nc2ncnc(NCCCN3CCOCC3)c2NC1=O ZINC000223990748 609716471 /nfs/dbraw/zinc/71/64/71/609716471.db2.gz PZFNZFKRQXOCON-LBPRGKRZSA-N 0 0 334.424 0.999 10 0 ECAERN Cn1cc([C@@H]2[C@@H](C(=O)OCCc3cn[nH]c3)CCC(=O)N2C)cn1 ZINC000175688954 609725334 /nfs/dbraw/zinc/72/53/34/609725334.db2.gz YBPORRNBRRFAID-DZGCQCFKSA-N 0 0 331.376 0.839 10 0 ECAERN COc1ccc(CNC(=O)N[C@H]2CCc3n[nH]c(=O)n3CC2)cc1 ZINC000169783212 609746913 /nfs/dbraw/zinc/74/69/13/609746913.db2.gz MJXNMZSEEKTELP-LBPRGKRZSA-N 0 0 331.376 0.784 10 0 ECAERN C[C@H](C(=O)NC[C@@H](O)CN1CCOCC1)N1CCc2ccccc21 ZINC000179478853 609786647 /nfs/dbraw/zinc/78/66/47/609786647.db2.gz VPKSFLRYUWMAAA-GDBMZVCRSA-N 0 0 333.432 0.247 10 0 ECAERN Cn1ccnc1CN1CC[C@H](CNS(=O)(=O)c2cccnc2)C1 ZINC000067910148 609797907 /nfs/dbraw/zinc/79/79/07/609797907.db2.gz MPTHCZOEIBKXBO-CYBMUJFWSA-N 0 0 335.433 0.616 10 0 ECAERN O=C1C[C@H](c2ccccn2)CN1CN1CCO[C@H](Cn2cccn2)C1 ZINC000152835147 609883035 /nfs/dbraw/zinc/88/30/35/609883035.db2.gz JGRZSCVPNDSROB-HOTGVXAUSA-N 0 0 341.415 0.953 10 0 ECAERN C[C@@H]1C(=O)N(NC(=O)[C@@H]2CCCO[C@H]2c2nccn2C)C(=O)N1C ZINC000912817115 610010592 /nfs/dbraw/zinc/01/05/92/610010592.db2.gz NSFRXQNLDCJOMB-GMTAPVOTSA-N 0 0 335.364 0.202 10 0 ECAERN Cn1ccc(CC(=O)N2CCN(C[C@H](O)c3ccccc3)CC2)n1 ZINC000183429585 610464758 /nfs/dbraw/zinc/46/47/58/610464758.db2.gz NBKYDWCSRWLJGD-KRWDZBQOSA-N 0 0 328.416 0.840 10 0 ECAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)NCCc1ccnn1C)CC2 ZINC000184737895 610782882 /nfs/dbraw/zinc/78/28/82/610782882.db2.gz MPZUTVYDOJGKBD-LBPRGKRZSA-N 0 0 331.424 0.992 10 0 ECAERN C[C@H](CNC(=O)C(=O)Nc1ccc(N(C)C)cc1)N1CCOCC1 ZINC000078721658 611869414 /nfs/dbraw/zinc/86/94/14/611869414.db2.gz XPRIBJZSOPZWHU-CYBMUJFWSA-N 0 0 334.420 0.528 10 0 ECAERN O=C1O[C@@H](CN2CCN(c3ccc4nncn4n3)CC2)CC12CCC2 ZINC000191999243 611881438 /nfs/dbraw/zinc/88/14/38/611881438.db2.gz FQNWKQLAOAEYJV-CYBMUJFWSA-N 0 0 342.403 0.732 10 0 ECAERN CC(=O)NC1CN(C(=O)CN2C(=S)N=NC2c2ccc(C)cc2)C1 ZINC000191476619 612035131 /nfs/dbraw/zinc/03/51/31/612035131.db2.gz MFEMGPSOPIUPHA-UHFFFAOYSA-N 0 0 345.428 0.889 10 0 ECAERN Cc1cnn(C[C@H]2CN(CN3C(=O)N[C@H](CC(C)C)C3=O)CCO2)c1 ZINC000246538192 612827720 /nfs/dbraw/zinc/82/77/20/612827720.db2.gz BHSXIUUTYQOCLV-HUUCEWRRSA-N 0 0 349.435 0.816 10 0 ECAERN Cc1cnn(C[C@@H]2CN(CN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)CCO2)c1 ZINC000246551190 612838840 /nfs/dbraw/zinc/83/88/40/612838840.db2.gz CVRJQQBGUMWXCD-ARFHVFGLSA-N 0 0 344.415 0.801 10 0 ECAERN C[C@H](O)CN1CCN(C(=O)c2cccnc2-n2cccn2)C[C@@H]1C ZINC000246592761 612895249 /nfs/dbraw/zinc/89/52/49/612895249.db2.gz AWVVZJNPBHAYHU-KBPBESRZSA-N 0 0 329.404 0.794 10 0 ECAERN C[C@H](O)CN1CCN(C(=O)c2cccnc2-n2cccn2)C[C@H]1C ZINC000246592769 612895329 /nfs/dbraw/zinc/89/53/29/612895329.db2.gz AWVVZJNPBHAYHU-KGLIPLIRSA-N 0 0 329.404 0.794 10 0 ECAERN CCn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)N[C@H]2CCO[C@H]2C)cn1 ZINC000332987407 756796665 /nfs/dbraw/zinc/79/66/65/756796665.db2.gz XEZOFCRPYCLIRJ-DNVSUFBTSA-N 0 0 335.408 0.699 10 0 ECAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1cc2c(cn1)nc[nH]c2=O ZINC000188508998 529749995 /nfs/dbraw/zinc/74/99/95/529749995.db2.gz HZRCUNMJIKNIJS-JTQLQIEISA-N 0 0 339.359 0.737 10 0 ECAERN Cc1cnn([C@@H]2CCCN(C(=O)NCC(=O)N3CCOCC3)C2)c1 ZINC000181849754 234349274 /nfs/dbraw/zinc/34/92/74/234349274.db2.gz UUXOJLKAIRTDEJ-CQSZACIVSA-N 0 0 335.408 0.397 10 0 ECAERN O=S(=O)(NCCCN1CCOCC1)c1cnc(Cl)s1 ZINC000035356689 202300753 /nfs/dbraw/zinc/30/07/53/202300753.db2.gz YYOYWBBDHMKFMH-UHFFFAOYSA-N 0 0 325.843 0.797 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)CCn1c(C)csc1=O)CC2 ZINC000114870364 201072024 /nfs/dbraw/zinc/07/20/24/201072024.db2.gz RVMYHMPOTVUUDC-LLVKDONJSA-N 0 0 335.433 0.893 10 0 ECAERN CN1CCO[C@@H](CNC(=O)c2cc(C(N)=O)n(-c3ccccc3)n2)C1 ZINC000111587830 201065410 /nfs/dbraw/zinc/06/54/10/201065410.db2.gz SONTXBMOGKTNJO-ZDUSSCGKSA-N 0 0 343.387 0.032 10 0 ECAERN C[C@H]1OCC[C@H]1NC(=O)c1cnn(C)c1I ZINC000293757681 201343919 /nfs/dbraw/zinc/34/39/19/201343919.db2.gz TYHSRRDPDLCLDN-HTRCEHHLSA-N 0 0 335.145 0.932 10 0 ECAERN [NH3+][C@H](CCCCNC(=O)C(F)(F)F)C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000005274010 201362119 /nfs/dbraw/zinc/36/21/19/201362119.db2.gz MUYCUFZXUZRHSL-RKDXNWHRSA-N 0 0 339.314 0.238 10 0 ECAERN Cc1nc(C(=O)NCc2ccnc(N(C)C)n2)cc(-n2cccn2)n1 ZINC000224240979 241742333 /nfs/dbraw/zinc/74/23/33/241742333.db2.gz RATYRGRWUZGFAG-UHFFFAOYSA-N 0 0 338.375 0.757 10 0 ECAERN O=C(N[C@@H]1CCc2ncnn2C1)N1CCCN(c2nccs2)CC1 ZINC000172602964 284120068 /nfs/dbraw/zinc/12/00/68/284120068.db2.gz NPLSSBWWMKIDCC-GFCCVEGCSA-N 0 0 347.448 0.971 10 0 ECAERN COc1cccc(C(=O)Nc2ncnc3c2ncn3CCC(N)=O)c1 ZINC000071916432 203150841 /nfs/dbraw/zinc/15/08/41/203150841.db2.gz LMVLHKWIPXPWAR-UHFFFAOYSA-N 0 0 340.343 0.963 10 0 ECAERN CNC(=O)[C@@H]1CN(C(=O)COc2ccccc2)Cc2cn(C)nc21 ZINC000072345642 203203601 /nfs/dbraw/zinc/20/36/01/203203601.db2.gz CDAXXJPAVBABRR-CQSZACIVSA-N 0 0 328.372 0.671 10 0 ECAERN Nn1ccc2c(cnc3nc(-c4ccc5c(c4)OCCO5)nn32)c1=O ZINC000072472019 203231078 /nfs/dbraw/zinc/23/10/78/203231078.db2.gz XDSXZZOLXCBNTC-UHFFFAOYSA-N 0 0 336.311 0.591 10 0 ECAERN Cc1ccccc1[C@@H](CC(=O)NC[C@@H](C)N1CCOCC1)NC(N)=O ZINC000076148833 203339403 /nfs/dbraw/zinc/33/94/03/203339403.db2.gz FIWSWVDHCUWVCD-GDBMZVCRSA-N 0 0 348.447 0.931 10 0 ECAERN Cc1ccccc1[C@H](CC(=O)NC[C@@H](C)N1CCOCC1)NC(N)=O ZINC000076148834 203339467 /nfs/dbraw/zinc/33/94/67/203339467.db2.gz FIWSWVDHCUWVCD-ZBFHGGJFSA-N 0 0 348.447 0.931 10 0 ECAERN Cc1oc(-c2ccsc2)nc1CC(=O)N1CCOC[C@@H]1C(N)=O ZINC000091780847 203651612 /nfs/dbraw/zinc/65/16/12/203651612.db2.gz VJOXPXYNKYAKBN-GFCCVEGCSA-N 0 0 335.385 0.967 10 0 ECAERN Cn1c(CCN2CCO[C@H](C[N@H+](C)CC(=O)[O-])C2)nc2ccccc21 ZINC000262854582 245215708 /nfs/dbraw/zinc/21/57/08/245215708.db2.gz KMGLBJVHSLGRCD-CQSZACIVSA-N 0 0 346.431 0.833 10 0 ECAERN Cc1ccc(CC(=O)N2CCO[C@H](C[N@@H+](C)CC(=O)[O-])C2)s1 ZINC000262922918 245253524 /nfs/dbraw/zinc/25/35/24/245253524.db2.gz LEBSVECWRFHBLF-GFCCVEGCSA-N 0 0 326.418 0.843 10 0 ECAERN CN1CCO[C@@H](CNC(=O)NCc2cccnc2-n2ccnc2)C1 ZINC000104781257 204119558 /nfs/dbraw/zinc/11/95/58/204119558.db2.gz DEZHMPIWAIJVPL-AWEZNQCLSA-N 0 0 330.392 0.397 10 0 ECAERN C[C@@H](CNC(=O)C(=O)NCCCc1ccccc1)N1CCOCC1 ZINC000104033246 204093554 /nfs/dbraw/zinc/09/35/54/204093554.db2.gz KKCFNQSTXFLRQX-HNNXBMFYSA-N 0 0 333.432 0.572 10 0 ECAERN C[C@@H](C(=O)NC(=O)NC1CC1)N1CCCN(c2cccnn2)CC1 ZINC000105799287 204161637 /nfs/dbraw/zinc/16/16/37/204161637.db2.gz RFIYHYUHQZMWHI-LBPRGKRZSA-N 0 0 332.408 0.365 10 0 ECAERN CCC[C@H](C)NC(=O)[C@H](C)N1CCN(c2ccc3nncn3n2)CC1 ZINC000105817087 204165045 /nfs/dbraw/zinc/16/50/45/204165045.db2.gz OTKIDUSLTMBGGK-KBPBESRZSA-N 0 0 345.451 0.940 10 0 ECAERN COCCN1CCN(CC(=O)NC(=O)Nc2ccccc2)C[C@@H]1C ZINC000105832945 204167477 /nfs/dbraw/zinc/16/74/77/204167477.db2.gz OADHXSXZIMFMGO-AWEZNQCLSA-N 0 0 334.420 0.987 10 0 ECAERN CN(C)C(=O)Cc1ccc(NC(=O)NC[C@@H]2CN(C)CCO2)cc1 ZINC000105281726 204140588 /nfs/dbraw/zinc/14/05/88/204140588.db2.gz PUCXPWNHUNIPEX-OAHLLOKOSA-N 0 0 334.420 0.769 10 0 ECAERN CCS(=O)(=O)CC(=O)N(C)C1CCN(CCn2cccn2)CC1 ZINC000109293017 204280686 /nfs/dbraw/zinc/28/06/86/204280686.db2.gz NGZXQJDLZLSJDC-UHFFFAOYSA-N 0 0 342.465 0.241 10 0 ECAERN CCOC(=O)CN(CC(N)=O)C(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000109121435 204277781 /nfs/dbraw/zinc/27/77/81/204277781.db2.gz SDCNVAVNQYMFAP-QWRGUYRKSA-N 0 0 340.326 0.945 10 0 ECAERN CCCCCS(=O)(=O)CC(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000111086411 204334979 /nfs/dbraw/zinc/33/49/79/204334979.db2.gz QMOXCMLXCIOFRA-AWEZNQCLSA-N 0 0 343.449 0.716 10 0 ECAERN C[C@@H](NC(=O)N[C@H]1CCc2ncnn2C1)C(=O)NCc1ccccc1 ZINC000112745695 204416788 /nfs/dbraw/zinc/41/67/88/204416788.db2.gz UGAUZQXDEGESSW-OCCSQVGLSA-N 0 0 342.403 0.597 10 0 ECAERN Cc1cnn(C[C@@H]2CN(C(=O)[C@H](C)NC(=O)c3ccco3)CCO2)c1 ZINC000112066546 204380918 /nfs/dbraw/zinc/38/09/18/204380918.db2.gz HZNYZHLIMUHSPI-KBPBESRZSA-N 0 0 346.387 0.830 10 0 ECAERN CCc1noc([C@@H](C)N2CCN(C(=O)Cc3cnn(C)c3)CC2)n1 ZINC000112037124 204381526 /nfs/dbraw/zinc/38/15/26/204381526.db2.gz PBPFTXGFQRQUFI-GFCCVEGCSA-N 0 0 332.408 0.813 10 0 ECAERN O=C(CCNC(=O)c1ccco1)N1CCC[C@@H](Cn2cncn2)C1 ZINC000127023499 205080782 /nfs/dbraw/zinc/08/07/82/205080782.db2.gz CMTWDDPZWNUFAU-CYBMUJFWSA-N 0 0 331.376 0.930 10 0 ECAERN CN1CCO[C@@H](CNC(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)C1 ZINC000133986464 205387125 /nfs/dbraw/zinc/38/71/25/205387125.db2.gz NLSLRVUXHZNUFX-VIFPVBQESA-N 0 0 334.298 0.846 10 0 ECAERN O=C1CCCN1C[C@H](O)CN1CCN(CCOc2ccccc2)CC1 ZINC000111682943 220178703 /nfs/dbraw/zinc/17/87/03/220178703.db2.gz MEAJDRQECCDEBV-QGZVFWFLSA-N 0 0 347.459 0.666 10 0 ECAERN O=C(Nc1cnc2ccccc2c1)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000177628908 284392560 /nfs/dbraw/zinc/39/25/60/284392560.db2.gz DWPKUCWBYRXIOG-LBPRGKRZSA-N 0 0 336.355 0.896 10 0 ECAERN C[C@@H]1CN(C(=O)c2ccc(Br)cn2)C[C@H](C(N)=O)O1 ZINC000157434345 206136375 /nfs/dbraw/zinc/13/63/75/206136375.db2.gz WQGQCJXJJRKKPT-GMSGAONNSA-N 0 0 328.166 0.559 10 0 ECAERN CN1CCO[C@H](CNC(=O)NCCOc2ccc(Cl)cn2)C1 ZINC000158960308 206218453 /nfs/dbraw/zinc/21/84/53/206218453.db2.gz WQJCSVLBEAFFLA-GFCCVEGCSA-N 0 0 328.800 0.744 10 0 ECAERN Cc1nc2ccc(NC(=O)NC[C@@H](O)CN3CCOCC3)cc2o1 ZINC000092226254 218126942 /nfs/dbraw/zinc/12/69/42/218126942.db2.gz XRDCGLIKSGPSTP-CYBMUJFWSA-N 0 0 334.376 0.951 10 0 ECAERN CN(Cc1c(F)cccc1Cl)C(=O)CN1CCOC[C@H]1C(N)=O ZINC000092229561 218127935 /nfs/dbraw/zinc/12/79/35/218127935.db2.gz METFBHOLZUJDQN-ZDUSSCGKSA-N 0 0 343.786 0.624 10 0 ECAERN NC(=O)c1cccc(CCNC(=O)N[C@@H]2CCc3ncnn3C2)c1 ZINC000171870397 206758316 /nfs/dbraw/zinc/75/83/16/206758316.db2.gz JEXKXZCMEGBCBG-CYBMUJFWSA-N 0 0 328.376 0.234 10 0 ECAERN O=C(CNC(=O)c1ccccn1)N1CCC[C@@H](Cn2cncn2)C1 ZINC000172555064 206844890 /nfs/dbraw/zinc/84/48/90/206844890.db2.gz QMRYBRCAZHHUOQ-CYBMUJFWSA-N 0 0 328.376 0.342 10 0 ECAERN Cc1cc(N2CCC[C@H](NC(=O)Nc3ccn(C)n3)C2=O)n(C)n1 ZINC000175829465 207163977 /nfs/dbraw/zinc/16/39/77/207163977.db2.gz ZMIRJBSPUMEMRC-NSHDSACASA-N 0 0 331.380 0.779 10 0 ECAERN Cc1cnn(C[C@H]2CN(C(=O)[C@H](C)CS(C)(=O)=O)CCO2)c1 ZINC000176818822 207264174 /nfs/dbraw/zinc/26/41/74/207264174.db2.gz GAUZZEZTFATSPG-CHWSQXEVSA-N 0 0 329.422 0.100 10 0 ECAERN C[C@H]1CN(Cc2nnnn2-c2ccccc2)C[C@@H]1N1CCOCC1 ZINC000177263029 207314220 /nfs/dbraw/zinc/31/42/20/207314220.db2.gz AZFZVSBYYRORKQ-HOCLYGCPSA-N 0 0 328.420 0.815 10 0 ECAERN O=C(CN1C(=O)c2ccccc2C1=O)N[C@H]1CCCn2ncnc21 ZINC000177610298 207363718 /nfs/dbraw/zinc/36/37/18/207363718.db2.gz HPPXBKOXIYBNFN-LBPRGKRZSA-N 0 0 325.328 0.525 10 0 ECAERN CCOc1ccc(NC(=O)C(=O)N[C@@H]2CCc3ncnn3C2)cc1 ZINC000177626813 207366525 /nfs/dbraw/zinc/36/65/25/207366525.db2.gz BUPRNQFGIYAUBO-GFCCVEGCSA-N 0 0 329.360 0.747 10 0 ECAERN O=C(CCS(=O)(=O)C1CCCC1)N1CC[C@H](N2CCOCC2)C1 ZINC000172750294 207654428 /nfs/dbraw/zinc/65/44/28/207654428.db2.gz VMEPNHSNWYOTDV-AWEZNQCLSA-N 0 0 344.477 0.667 10 0 ECAERN O=C(COc1ccc(Cl)cc1)NC[C@H](O)CN1CCOCC1 ZINC000154114210 224204618 /nfs/dbraw/zinc/20/46/18/224204618.db2.gz UIDOIVXGRIFLAN-ZDUSSCGKSA-N 0 0 328.796 0.528 10 0 ECAERN COCCN1CCN(C(=O)CCS(=O)(=O)CC(C)C)C[C@@H]1C ZINC000117285878 221044263 /nfs/dbraw/zinc/04/42/63/221044263.db2.gz PIDNAWPVKHKKJC-AWEZNQCLSA-N 0 0 334.482 0.626 10 0 ECAERN CC[C@@H]1CN(C(=O)CS(=O)(=O)CC(C)C)CCN1CCOC ZINC000117299418 221049147 /nfs/dbraw/zinc/04/91/47/221049147.db2.gz SPTGCPONURMUIR-CQSZACIVSA-N 0 0 334.482 0.626 10 0 ECAERN CC[C@@H]1CN(C(=O)CS(=O)(=O)C2CCCC2)CCN1CCOC ZINC000117302033 221049317 /nfs/dbraw/zinc/04/93/17/221049317.db2.gz UGYXHRRVFWEYRU-CQSZACIVSA-N 0 0 346.493 0.913 10 0 ECAERN CCO[C@@H]1C[C@@H](NC(=O)Cn2nnnc2C(C)C)C12CCOCC2 ZINC000187053276 286256949 /nfs/dbraw/zinc/25/69/49/286256949.db2.gz UKCNXYOQEBNYLJ-CHWSQXEVSA-N 0 0 337.424 0.887 10 0 ECAERN CCO[C@@H]1C[C@@H](NC(=O)[C@H]2CN(CC)CCO2)C12CCOCC2 ZINC000248573646 286274383 /nfs/dbraw/zinc/27/43/83/286274383.db2.gz NYUGXNLKBVALKG-RBSFLKMASA-N 0 0 326.437 0.798 10 0 ECAERN CCn1nc(C)c(NC(=O)C(=O)N2CCC[C@@H](n3cncn3)C2)c1C ZINC000153333418 296692000 /nfs/dbraw/zinc/69/20/00/296692000.db2.gz DERLJTYNDUFJQS-CYBMUJFWSA-N 0 0 345.407 0.914 10 0 ECAERN CC(C)[C@@H](O)CC(=O)N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 ZINC000158990103 296709950 /nfs/dbraw/zinc/70/99/50/296709950.db2.gz SKXDQOWDOGTDQN-ZBFHGGJFSA-N 0 0 339.480 0.985 10 0 ECAERN CC(C)C(=O)N1CCCN(C(=O)NC[C@@H](C)N2CCOCC2)CC1 ZINC000076057532 164600008 /nfs/dbraw/zinc/60/00/08/164600008.db2.gz ZJFKTMPJSDFZEI-OAHLLOKOSA-N 0 0 340.468 0.607 10 0 ECAERN Cc1nc(C[C@@H]2CCCN(C(=O)CN(C)S(C)(=O)=O)C2)no1 ZINC000171237891 164829542 /nfs/dbraw/zinc/82/95/42/164829542.db2.gz JTSKANAVDIXCRP-NSHDSACASA-N 0 0 330.410 0.051 10 0 ECAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)[C@H](C)CS(C)(=O)=O)CC2 ZINC000174996347 164876022 /nfs/dbraw/zinc/87/60/22/164876022.db2.gz GLLGKHKXKUTUCN-MNOVXSKESA-N 0 0 328.438 0.513 10 0 ECAERN C[C@@H]1C(=O)NCCCN1C(=O)c1ccc(=O)n(-c2ccccc2)n1 ZINC000188904402 165003192 /nfs/dbraw/zinc/00/31/92/165003192.db2.gz QTIYJUJITJZQSF-GFCCVEGCSA-N 0 0 326.356 0.583 10 0 ECAERN CC1(C)COCCN1CCNC(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188840248 165003469 /nfs/dbraw/zinc/00/34/69/165003469.db2.gz UYFOPEBTYYXISZ-UHFFFAOYSA-N 0 0 338.452 0.407 10 0 ECAERN CC(C)(C)N1C[C@@H](NC(=O)N2CC(NC(=O)C3CCC3)C2)CC1=O ZINC000188886969 165003484 /nfs/dbraw/zinc/00/34/84/165003484.db2.gz PWHMHOPWUFXHRC-LBPRGKRZSA-N 0 0 336.436 0.696 10 0 ECAERN O=C(NC1CN(C(=O)c2ccccc2N2CCOCC2)C1)C1CC1 ZINC000189427779 165009935 /nfs/dbraw/zinc/00/99/35/165009935.db2.gz IGIRALVNRPBRHT-UHFFFAOYSA-N 0 0 329.400 0.874 10 0 ECAERN Cn1cnc(-c2ccc(C(=O)N3CC(NC(=O)C4CC4)C3)cc2)n1 ZINC000189420521 165010267 /nfs/dbraw/zinc/01/02/67/165010267.db2.gz PDPWSYAMXLIBCT-UHFFFAOYSA-N 0 0 325.372 0.833 10 0 ECAERN CC(=O)N[C@@H](CC(=O)N1CC(NC(=O)C2CC2)C1)c1ccccc1 ZINC000189454449 165011976 /nfs/dbraw/zinc/01/19/76/165011976.db2.gz WXLNJAMGUHKOHU-INIZCTEOSA-N 0 0 329.400 0.991 10 0 ECAERN CCOCCOCCN(C)C(=O)N[C@@H]1CCc2nc(CC)nn2C1 ZINC000189649368 165013007 /nfs/dbraw/zinc/01/30/07/165013007.db2.gz UNZNBCNYZIVACA-CYBMUJFWSA-N 0 0 339.440 0.850 10 0 ECAERN COCCc1cc(NC(=O)C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)n(C)n1 ZINC000190081692 165018388 /nfs/dbraw/zinc/01/83/88/165018388.db2.gz QMOBRMQFKGZVIW-TZMCWYRMSA-N 0 0 349.435 0.243 10 0 ECAERN CC(=O)NC1CN(C(=O)N[C@@H]2C[C@@H](C)N(c3ccccc3)C2=O)C1 ZINC000190220725 165019233 /nfs/dbraw/zinc/01/92/33/165019233.db2.gz MKTBOKJAKVPULY-IAQYHMDHSA-N 0 0 330.388 0.710 10 0 ECAERN C[C@@H]1C(=O)NCCCN1C(=O)C(=O)Nc1ccc2ccn(C)c2c1 ZINC000190665612 165023535 /nfs/dbraw/zinc/02/35/35/165023535.db2.gz IDRJRPRPNUMFDY-LLVKDONJSA-N 0 0 328.372 0.854 10 0 ECAERN C[C@@H]1C(=O)NCCCN1C(=O)C(=O)Nc1cccc(-n2ccnc2)c1 ZINC000190670908 165024575 /nfs/dbraw/zinc/02/45/75/165024575.db2.gz DYWNKMFZAQCOAQ-GFCCVEGCSA-N 0 0 341.371 0.548 10 0 ECAERN CCn1cc([C@H]2CN([C@@H](C)c3nc(N)nc(N(C)C)n3)CCO2)cn1 ZINC000190804948 165026028 /nfs/dbraw/zinc/02/60/28/165026028.db2.gz WOSJTIQRCPLXJM-WCQYABFASA-N 0 0 346.439 0.871 10 0 ECAERN CCOc1ccnc(N2CCN(CCN3CCO[C@@H](C)C3)CC2)n1 ZINC000191485521 165032407 /nfs/dbraw/zinc/03/24/07/165032407.db2.gz IGGZUNHQDSOZDG-HNNXBMFYSA-N 0 0 335.452 0.718 10 0 ECAERN CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)[C@H]1C[C@@H](O)CN1C(C)=O ZINC000193437874 165055313 /nfs/dbraw/zinc/05/53/13/165055313.db2.gz QPUKTMFNGOPFGN-BRWVUGGUSA-N 0 0 334.416 0.859 10 0 ECAERN CN1CCO[C@@H](CNC(=O)c2ccc(CN3CCCC3=O)cc2)C1 ZINC000194629107 165069559 /nfs/dbraw/zinc/06/95/59/165069559.db2.gz SIDKZBCPCLOFCF-INIZCTEOSA-N 0 0 331.416 0.869 10 0 ECAERN O=C(NC1CCN(C(=O)Nc2ccccc2)CC1)[C@H]1CNC(=O)C1 ZINC000194862996 165071725 /nfs/dbraw/zinc/07/17/25/165071725.db2.gz DHIOEDWFAURYFO-GFCCVEGCSA-N 0 0 330.388 0.935 10 0 ECAERN CCCNC(=O)CN(C)C(=O)CN1CCO[C@H](c2nccs2)C1 ZINC000195521540 165084286 /nfs/dbraw/zinc/08/42/86/165084286.db2.gz QJEVGIMWFYPBHF-LBPRGKRZSA-N 0 0 340.449 0.501 10 0 ECAERN O=C(CN1CCC(c2cc[nH]n2)CC1)NCCCN1CCCC1=O ZINC000195505771 165084374 /nfs/dbraw/zinc/08/43/74/165084374.db2.gz LXLIAQOQDOLYCI-UHFFFAOYSA-N 0 0 333.436 0.718 10 0 ECAERN C[C@@H]1CN([C@H]2CCN(CC(F)(F)F)C2=O)C[C@@H]1N1CCOCC1 ZINC000246320011 165130233 /nfs/dbraw/zinc/13/02/33/165130233.db2.gz DAMZKMHVAAZEBB-AGIUHOORSA-N 0 0 335.370 0.802 10 0 ECAERN COc1cccc([C@H](O)C(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)c1 ZINC000246605561 165140776 /nfs/dbraw/zinc/14/07/76/165140776.db2.gz GYKPDXJXBZQPGH-JQFCIGGWSA-N 0 0 334.416 0.908 10 0 ECAERN OC[C@H]1CCCN1c1cc(N2CC[C@@H](N3CCOCC3)C2)ncn1 ZINC000247029236 165150793 /nfs/dbraw/zinc/15/07/93/165150793.db2.gz PQYLDYZOGDUMAH-HUUCEWRRSA-N 0 0 333.436 0.349 10 0 ECAERN CCOCCN1CCN(CC(=O)N2C[C@H](C)O[C@@H](C)C2)C[C@H]1C ZINC000247126326 165152120 /nfs/dbraw/zinc/15/21/20/165152120.db2.gz JYYPPVVWBNZOGS-PMPSAXMXSA-N 0 0 327.469 0.665 10 0 ECAERN CN([C@@H]1CCCN(c2cccnn2)C1)S(=O)(=O)C[C@H]1CCCO1 ZINC000247174649 165155145 /nfs/dbraw/zinc/15/51/45/165155145.db2.gz RPBTZCJQIROABO-ZIAGYGMSSA-N 0 0 340.449 0.886 10 0 ECAERN CCOCCN1CCN([C@@H](C)C(=O)NC(=O)NC2CC2)C[C@H]1C ZINC000247209673 165155798 /nfs/dbraw/zinc/15/57/98/165155798.db2.gz PPIHSXGBZSEQSK-OLZOCXBDSA-N 0 0 326.441 0.406 10 0 ECAERN CC(C)n1nnnc1CN(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000247402765 165161390 /nfs/dbraw/zinc/16/13/90/165161390.db2.gz BLGOUYLFOKMMAI-STQMWFEESA-N 0 0 343.453 0.422 10 0 ECAERN CCOCCN1CCN(C(=O)C[C@H]2CCS(=O)(=O)C2)C[C@@H]1CC ZINC000247566401 165165913 /nfs/dbraw/zinc/16/59/13/165165913.db2.gz VTOZSRTZZJCVOQ-CABCVRRESA-N 0 0 346.493 0.771 10 0 ECAERN CCN(CC1CC1)S(=O)(=O)N1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000248638582 165181125 /nfs/dbraw/zinc/18/11/25/165181125.db2.gz LLGAXVCACOTSQW-GFCCVEGCSA-N 0 0 329.426 0.463 10 0 ECAERN CC(C)C(=O)NCCCNC(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000248614492 165181170 /nfs/dbraw/zinc/18/11/70/165181170.db2.gz LRNDYZISDQGEQX-KBPBESRZSA-N 0 0 328.457 0.245 10 0 ECAERN O=C1NCCN1[C@@H]1CCCN(c2cc(N3CCC[C@H]3CO)ncn2)C1 ZINC000261482253 165212886 /nfs/dbraw/zinc/21/28/86/165212886.db2.gz NORXYQXSLRAEIQ-KGLIPLIRSA-N 0 0 346.435 0.432 10 0 ECAERN CCCCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]([NH3+])C2CCOCC2)C1 ZINC000261705278 165229610 /nfs/dbraw/zinc/22/96/10/165229610.db2.gz IJVGFTYTXJLDAJ-CABCVRRESA-N 0 0 325.453 0.895 10 0 ECAERN C[C@H]1OCCN[C@@H]1C(=O)Nc1cnn(CC(=O)NC2CCCC2)c1 ZINC000261874552 165256129 /nfs/dbraw/zinc/25/61/29/165256129.db2.gz DMZSZCRXKIUQFN-ABAIWWIYSA-N 0 0 335.408 0.257 10 0 ECAERN Cc1ccc(NC(=O)[C@H]2NCCO[C@@H]2C)cc1N1C(=O)CCC1=O ZINC000261958197 165268787 /nfs/dbraw/zinc/26/87/87/165268787.db2.gz PDICXDSQDIHDGN-BZNIZROVSA-N 0 0 331.372 0.964 10 0 ECAERN O=C(Cn1ncc(=O)c2ccccc21)N1CCNC[C@H]1c1cccnc1 ZINC000262084382 165288161 /nfs/dbraw/zinc/28/81/61/165288161.db2.gz XYWXWPYCKSOQEF-KRWDZBQOSA-N 0 0 349.394 0.965 10 0 ECAERN CCCS(=O)(=O)[N-]c1ccccc1C(=O)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262112887 165293061 /nfs/dbraw/zinc/29/30/61/165293061.db2.gz FMALPXNLGSGRAB-RISCZKNCSA-N 0 0 341.433 0.148 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)[C@@H](C)NC(=O)c2ccoc2)C1 ZINC000262716188 165376702 /nfs/dbraw/zinc/37/67/02/165376702.db2.gz NPFHZHYVJDIEBH-QFWMXSHPSA-N 0 0 337.376 0.452 10 0 ECAERN C[N@@H+](CC(=O)[O-])C[C@H]1CN(C(=O)c2cc(F)cc(F)c2)CCO1 ZINC000262865000 165397041 /nfs/dbraw/zinc/39/70/41/165397041.db2.gz BUUFRPGUVLYUCB-ZDUSSCGKSA-N 0 0 328.315 0.822 10 0 ECAERN CC[C@H](C)[C@@H](O)CNC(=O)N[C@@H]1CCCn2nc(COC)nc21 ZINC000122558045 222111795 /nfs/dbraw/zinc/11/17/95/222111795.db2.gz AUTZBVLMQZNCCN-TUAOUCFPSA-N 0 0 325.413 0.966 10 0 ECAERN CN1C(=O)C[C@@H](N2CCN(Cc3cnn(C(C)(C)C)c3)CC2)C1=O ZINC000113952803 263146099 /nfs/dbraw/zinc/14/60/99/263146099.db2.gz FNRFDLKGXBHPRL-CQSZACIVSA-N 0 0 333.436 0.513 10 0 ECAERN CSCC[C@@H](NC(=O)[C@@H]1CNC(=O)C1)c1nnc2ccccn21 ZINC000194781975 263169515 /nfs/dbraw/zinc/16/95/15/263169515.db2.gz SHBZWHQUNQDIQM-WDEREUQCSA-N 0 0 333.417 0.776 10 0 ECAERN CN1CCN(C(=O)c2ccc(NC(=O)[C@H]3CNC(=O)C3)cc2)CC1 ZINC000194823703 263169861 /nfs/dbraw/zinc/16/98/61/263169861.db2.gz MNJNYITZDWSATB-CYBMUJFWSA-N 0 0 330.388 0.149 10 0 ECAERN CO[C@H]1C[C@@H](C(N)=O)N(C(=O)c2ccc(-c3cncnc3)cc2F)C1 ZINC000284521831 264223545 /nfs/dbraw/zinc/22/35/45/264223545.db2.gz GEXPHMGIBWXMER-WFASDCNBSA-N 0 0 344.346 0.998 10 0 ECAERN COC[C@@H]1C[C@H](OC)CN1C(=O)c1cnc2cc(C)ccn2c1=O ZINC000284639796 264237553 /nfs/dbraw/zinc/23/75/53/264237553.db2.gz RDKTVNVGPDUCRH-STQMWFEESA-N 0 0 331.372 0.879 10 0 ECAERN O=c1c2ccccc2ncn1CCN1CC[C@@](O)(c2cn[nH]n2)C1 ZINC000284789439 264237635 /nfs/dbraw/zinc/23/76/35/264237635.db2.gz LGZXKWJSEZAEAU-INIZCTEOSA-N 0 0 326.360 0.108 10 0 ECAERN CCOc1ccc2cc(S(N)(=O)=O)ccc2c1S(N)(=O)=O ZINC000005234711 276497885 /nfs/dbraw/zinc/49/78/85/276497885.db2.gz BSOCXXQXZLZNIN-UHFFFAOYSA-N 0 0 330.387 0.533 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)NCc2nccn2C(F)F)CC1 ZINC000185036834 276596229 /nfs/dbraw/zinc/59/62/29/276596229.db2.gz ROKNHOLQKRPODM-NSHDSACASA-N 0 0 331.367 0.876 10 0 ECAERN CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NC[C@H](C)N1CCOCC1 ZINC000076149244 277020125 /nfs/dbraw/zinc/02/01/25/277020125.db2.gz VFAWHVIJBQNXBA-KBXCAEBGSA-N 0 0 345.443 0.797 10 0 ECAERN CC(C)[C@@H](C(=O)N1CC(NC(=O)C2CC2)C1)N1C[C@@H](C)O[C@H](C)C1 ZINC000189449350 437599618 /nfs/dbraw/zinc/59/96/18/437599618.db2.gz NNQCJJYTKAPNFO-IOASZLSFSA-N 0 0 337.464 0.857 10 0 ECAERN CC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2cccnc2)C1 ZINC000114240657 278144129 /nfs/dbraw/zinc/14/41/29/278144129.db2.gz NOXAEPBSHBEZQH-BFYDXBDKSA-N 0 0 344.415 0.728 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)C(=O)Nc2ccc(F)cc2F)CC1 ZINC000189475243 437602626 /nfs/dbraw/zinc/60/26/26/437602626.db2.gz UZCMPCKDJDZEKG-LBPRGKRZSA-N 0 0 341.358 0.818 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)C(=O)Nc2cccc(C)c2F)CC1 ZINC000189479206 437602879 /nfs/dbraw/zinc/60/28/79/437602879.db2.gz DUKHDDSHDGZAIY-CYBMUJFWSA-N 0 0 337.395 0.988 10 0 ECAERN Cc1ccc(C(=O)N2CC(NC(=O)C3CC3)C2)cc1S(C)(=O)=O ZINC000189501676 437604790 /nfs/dbraw/zinc/60/47/90/437604790.db2.gz BPHAZVNPATXGFJ-UHFFFAOYSA-N 0 0 336.413 0.749 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)N[C@@H](C)CN1CCCC1=O)CC2 ZINC000172312981 288635691 /nfs/dbraw/zinc/63/56/91/288635691.db2.gz LEAZIGISBBAGSG-RYUDHWBXSA-N 0 0 334.424 0.465 10 0 ECAERN C[C@@]1(C(=O)N[C@@H]2CCc3ncnn3C2)Cc2ccccc2C(=O)O1 ZINC000112655450 289144572 /nfs/dbraw/zinc/14/45/72/289144572.db2.gz AWLPJBAMBPIPOQ-PXAZEXFGSA-N 0 0 326.356 0.881 10 0 ECAERN COc1ccc(Br)c(C(=O)N2CCOC[C@H]2C(N)=O)c1 ZINC000158168899 295075618 /nfs/dbraw/zinc/07/56/18/295075618.db2.gz IOUGHCVQSHVZQN-NSHDSACASA-N 0 0 343.177 0.784 10 0 ECAERN C[C@@H]1CCN(C(=O)N[C@H]2CCCN(c3nccn(C)c3=O)C2)C[C@H]1O ZINC000333295798 297122052 /nfs/dbraw/zinc/12/20/52/297122052.db2.gz LSCSWOAVUMAZJD-HZSPNIEDSA-N 0 0 349.435 0.161 10 0 ECAERN C/C=C\C[C@H](CO)NC(=O)N[C@@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000353247944 299027377 /nfs/dbraw/zinc/02/73/77/299027377.db2.gz JFYTZLLTRNOTOJ-UUSXEQNQSA-N 0 0 349.435 0.850 10 0 ECAERN C[C@H]1Oc2ccccc2N(CC(=O)N2CCCNC(=O)[C@H]2C)C1=O ZINC000364999731 300409181 /nfs/dbraw/zinc/40/91/81/300409181.db2.gz FTLUKZQPKOIYJK-VXGBXAGGSA-N 0 0 331.372 0.538 10 0 ECAERN CO[C@@H]1[C@H](C)[C@@H](NC(=O)[C@H]2C[C@H](OC)CN2S(C)(=O)=O)C1(C)C ZINC000365541637 300458710 /nfs/dbraw/zinc/45/87/10/300458710.db2.gz UTOLWWYLDLUUCP-NZEXEKPDSA-N 0 0 348.465 0.211 10 0 ECAERN O=C(Nc1ccn([C@@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1)c1ccccc1 ZINC000000120195 435949752 /nfs/dbraw/zinc/94/97/52/435949752.db2.gz MPSJHJFNKMUKCN-SCRDCRAPSA-N 0 0 331.328 0.136 10 0 ECAERN CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCCNC(=O)[C@@H]1C ZINC000375462653 301176748 /nfs/dbraw/zinc/17/67/48/301176748.db2.gz QUAQDJPRQQLBGQ-QWHCGFSZSA-N 0 0 345.465 0.318 10 0 ECAERN C[C@@H]1CCCN(S(=O)(=O)N2CCO[C@](C)(c3cnn(C)c3)C2)C1 ZINC000376660599 301280187 /nfs/dbraw/zinc/28/01/87/301280187.db2.gz YXAVBHUJRIGDES-HIFRSBDPSA-N 0 0 342.465 0.944 10 0 ECAERN C[C@H](CNC(=O)[C@H]1CS[C@]2(C)CCC(=O)N12)N1CCOCC1 ZINC000377356494 301343424 /nfs/dbraw/zinc/34/34/24/301343424.db2.gz APGYBEXTUAEFSO-LALPHHSUSA-N 0 0 327.450 0.277 10 0 ECAERN C[C@@H](NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1)[C@@H]1CCCO1 ZINC000035216571 436255382 /nfs/dbraw/zinc/25/53/82/436255382.db2.gz YZBKAIRNYXPIBY-SKDRFNHKSA-N 0 0 334.419 0.180 10 0 ECAERN O=C(NC[C@@H]1CCCC[C@H]1O)C(=O)Nc1ccc(-n2cccn2)nc1 ZINC000077940057 436257247 /nfs/dbraw/zinc/25/72/47/436257247.db2.gz KBNGSANZKDBWEX-GXTWGEPZSA-N 0 0 343.387 0.873 10 0 ECAERN Cn1cc(S(=O)(=O)NCC(=O)N[C@H]2CCCc3ccccc32)cn1 ZINC000047047464 436409785 /nfs/dbraw/zinc/40/97/85/436409785.db2.gz KCCRSBLDUCBEJO-HNNXBMFYSA-N 0 0 348.428 0.892 10 0 ECAERN NC(=O)[C@@H]1COCCN1C(=O)Cc1ccc(Br)cc1 ZINC000091784155 436460461 /nfs/dbraw/zinc/46/04/61/436460461.db2.gz KGCAVNFXHYSLPC-NSHDSACASA-N 0 0 327.178 0.704 10 0 ECAERN NC(=O)[C@H]1COCCN1C(=O)Cc1csc(-c2ccccn2)n1 ZINC000091785709 436460776 /nfs/dbraw/zinc/46/07/76/436460776.db2.gz JFAPJJURDRURLI-GFCCVEGCSA-N 0 0 332.385 0.460 10 0 ECAERN NC(=O)[C@H]1COCCN1C(=O)COc1ccc(C(F)(F)F)cc1 ZINC000091783229 436460964 /nfs/dbraw/zinc/46/09/64/436460964.db2.gz LSZUNZWMERQDHK-LLVKDONJSA-N 0 0 332.278 0.797 10 0 ECAERN CC(C)[C@@H](C)NC(=O)C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 ZINC000092631806 436473548 /nfs/dbraw/zinc/47/35/48/436473548.db2.gz WNHZWVGNKLAJDU-LLVKDONJSA-N 0 0 331.376 0.670 10 0 ECAERN C[C@@H](CNC(=O)N[C@@H](C)C(=O)NCc1ccccc1)N1CCOCC1 ZINC000056758778 436594786 /nfs/dbraw/zinc/59/47/86/436594786.db2.gz ISGPXHGTTYFXCR-GJZGRUSLSA-N 0 0 348.447 0.711 10 0 ECAERN Cc1ccc([C@H](C)NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)o1 ZINC000057464795 436611721 /nfs/dbraw/zinc/61/17/21/436611721.db2.gz XHTSUYYIXIWLIQ-JTQLQIEISA-N 0 0 345.359 0.213 10 0 ECAERN CCn1cc(CN2CCCN(C(=O)CSCC(N)=O)CC2)cn1 ZINC000112729064 436634131 /nfs/dbraw/zinc/63/41/31/436634131.db2.gz LRNZZWCUDCASBE-UHFFFAOYSA-N 0 0 339.465 0.156 10 0 ECAERN CN(C)C(=O)c1cccc(S(=O)(=O)N[C@H]2CCc3ncnn3C2)c1 ZINC000113299018 436637267 /nfs/dbraw/zinc/63/72/67/436637267.db2.gz XAOMYWXXVFXPHF-LBPRGKRZSA-N 0 0 349.416 0.273 10 0 ECAERN COCCN1CCN(C(=O)c2ccnc(-n3cncn3)c2)C[C@@H]1C ZINC000117284181 436655308 /nfs/dbraw/zinc/65/53/08/436655308.db2.gz NKDNVUPYYPNXHW-ZDUSSCGKSA-N 0 0 330.392 0.455 10 0 ECAERN COCCN1CCN(C(=O)Nc2cccnc2-n2cncn2)C[C@H]1C ZINC000117452167 436657371 /nfs/dbraw/zinc/65/73/71/436657371.db2.gz NPKJIEANRCUASD-CYBMUJFWSA-N 0 0 345.407 0.847 10 0 ECAERN CCCC[C@@H](NC(=O)NCC)C(=O)N1CCN(C[C@H](O)CC)CC1 ZINC000137679648 436659411 /nfs/dbraw/zinc/65/94/11/436659411.db2.gz QGUROXJNHZHJHP-HUUCEWRRSA-N 0 0 342.484 0.779 10 0 ECAERN NC(=O)c1csc(CN2CCN(c3ccc4nncn4n3)CC2)c1 ZINC000120506306 436689542 /nfs/dbraw/zinc/68/95/42/436689542.db2.gz SKQJWERNFPSISJ-UHFFFAOYSA-N 0 0 343.416 0.607 10 0 ECAERN NC(=O)[C@@H]1COCCN1S(=O)(=O)c1c[nH]c2cccc(F)c21 ZINC000195442990 436690304 /nfs/dbraw/zinc/69/03/04/436690304.db2.gz VOPCJBNANXKSSY-JTQLQIEISA-N 0 0 327.337 0.182 10 0 ECAERN Cn1nccc1C1CCN(CC(=O)NCC(=O)N2CCCC2)CC1 ZINC000195501902 436692343 /nfs/dbraw/zinc/69/23/43/436692343.db2.gz HIQKURLVWMOTRZ-UHFFFAOYSA-N 0 0 333.436 0.338 10 0 ECAERN Cc1nn(C)c(C)c1OCC(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000151012137 436694063 /nfs/dbraw/zinc/69/40/63/436694063.db2.gz NABVNYLEMUDHNF-DOMZBBRYSA-N 0 0 336.436 0.595 10 0 ECAERN O=C(NC[C@@H](O)CN1CCOCC1)Nc1cnn(-c2ccccc2)c1 ZINC000120662879 436695091 /nfs/dbraw/zinc/69/50/91/436695091.db2.gz SJKNONBNOVKGTJ-MRXNPFEDSA-N 0 0 345.403 0.687 10 0 ECAERN CCCCn1c(N)c(N(C)C[C@@H](O)COC(C)(C)C)c(=O)[nH]c1=O ZINC000120755987 436698119 /nfs/dbraw/zinc/69/81/19/436698119.db2.gz ZZTCFVAQUVEYIU-LLVKDONJSA-N 0 0 342.440 0.531 10 0 ECAERN Cc1cc(Cl)ncc1NC(=O)C(=O)NC[C@H](C)N1CCOCC1 ZINC000151544422 436705019 /nfs/dbraw/zinc/70/50/19/436705019.db2.gz LBYJEXZOGZQKFA-NSHDSACASA-N 0 0 340.811 0.819 10 0 ECAERN CN1CCO[C@H](CNC(=O)C(=O)Nc2ccccc2N2CCCC2)C1 ZINC000118115656 436661033 /nfs/dbraw/zinc/66/10/33/436661033.db2.gz VACHNMQCBHEQBV-CQSZACIVSA-N 0 0 346.431 0.672 10 0 ECAERN CN1CCO[C@H](CNC(=O)C(=O)Nc2cc(Cl)ccc2F)C1 ZINC000118115889 436661445 /nfs/dbraw/zinc/66/14/45/436661445.db2.gz TURBNICMEHFBHX-SNVBAGLBSA-N 0 0 329.759 0.864 10 0 ECAERN Cc1oc2[nH]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)N[C@@H](C)CO ZINC000118969238 436663792 /nfs/dbraw/zinc/66/37/92/436663792.db2.gz QQKTZJKJRDJIAC-VIFPVBQESA-N 0 0 343.339 0.691 10 0 ECAERN CC[N@@H+]1CCC[C@@H](NC(=O)Nc2ccc(S(N)(=O)=O)cc2)C1 ZINC000194310571 436663778 /nfs/dbraw/zinc/66/37/78/436663778.db2.gz GXDCGWFPUYFMHB-GFCCVEGCSA-N 0 0 326.422 0.940 10 0 ECAERN Cc1ccn(CC(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)c(=O)c1 ZINC000194365398 436664187 /nfs/dbraw/zinc/66/41/87/436664187.db2.gz IMSYBIMJQANBFT-GFCCVEGCSA-N 0 0 349.412 0.682 10 0 ECAERN CCc1cc(N2CCC[C@H]2C(=O)N2CCN(C)CC2)n2ncnc2n1 ZINC000065504376 436664781 /nfs/dbraw/zinc/66/47/81/436664781.db2.gz PZLNHNKPWOKNMX-AWEZNQCLSA-N 0 0 343.435 0.430 10 0 ECAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccc(=O)n(C)c1 ZINC000194787204 436672362 /nfs/dbraw/zinc/67/23/62/436672362.db2.gz HZUALVTULWTLLT-LBPRGKRZSA-N 0 0 327.406 0.528 10 0 ECAERN COCCCN(Cc1c(C)nn(C)c1OC)[C@@H]1CCS(=O)(=O)C1 ZINC000120163224 436680001 /nfs/dbraw/zinc/68/00/01/436680001.db2.gz ZTVLKIRHZJGAFE-CYBMUJFWSA-N 0 0 345.465 0.763 10 0 ECAERN O=C1N[C@@]2(C(=O)Nc3c2c(Cl)ccc3Cl)N2CCOC[C@H]12 ZINC000195268956 436685037 /nfs/dbraw/zinc/68/50/37/436685037.db2.gz XVGLVENWZXIJEK-AMIZOPFISA-N 0 0 328.155 0.929 10 0 ECAERN O=C(Cn1ccnn1)Nc1ccc(I)cn1 ZINC000149729358 436685169 /nfs/dbraw/zinc/68/51/69/436685169.db2.gz WWLHMRXKMZVVMM-UHFFFAOYSA-N 0 0 329.101 0.916 10 0 ECAERN CO[C@H](C)CS(=O)(=O)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000195286008 436685955 /nfs/dbraw/zinc/68/59/55/436685955.db2.gz LLUSHGUGKGORBY-GDBMZVCRSA-N 0 0 342.461 0.702 10 0 ECAERN CO[C@H](C)CS(=O)(=O)N(C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000195268288 436686129 /nfs/dbraw/zinc/68/61/29/436686129.db2.gz NKKPLUCNOAEQIR-CHWSQXEVSA-N 0 0 328.438 0.742 10 0 ECAERN CC(C)C(=O)NCCCNC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000152690499 436738160 /nfs/dbraw/zinc/73/81/60/436738160.db2.gz MGBQPTAROPMAAV-AWEZNQCLSA-N 0 0 326.441 0.265 10 0 ECAERN CNS(=O)(=O)c1cc(C(=O)N2CCC(c3cc[nH]n3)CC2)co1 ZINC000152708578 436738441 /nfs/dbraw/zinc/73/84/41/436738441.db2.gz VZYLOEDYTQMMOR-UHFFFAOYSA-N 0 0 338.389 0.931 10 0 ECAERN Cc1ccc([C@@H](C)NC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)o1 ZINC000069142033 436763705 /nfs/dbraw/zinc/76/37/05/436763705.db2.gz HSFDYSDXDGPPOA-CABCVRRESA-N 0 0 349.431 0.946 10 0 ECAERN COC(=O)[C@@H](C)CS(=O)(=O)N1CCC(Cn2cccn2)CC1 ZINC000152042901 436717796 /nfs/dbraw/zinc/71/77/96/436717796.db2.gz FXHJWOLVABZTOV-LBPRGKRZSA-N 0 0 329.422 0.734 10 0 ECAERN CCOc1c(F)cccc1C(=O)NC[C@@H](O)CN1CCOCC1 ZINC000128130531 436812234 /nfs/dbraw/zinc/81/22/34/436812234.db2.gz URHDZAAJRYPYLX-GFCCVEGCSA-N 0 0 326.368 0.647 10 0 ECAERN CC[C@@H]1CN(C(=O)C(=O)Nc2ccsc2)CCN1C[C@H](C)O ZINC000246293072 436777890 /nfs/dbraw/zinc/77/78/90/436777890.db2.gz WFLYOTYILUPIHD-WCQYABFASA-N 0 0 325.434 0.990 10 0 ECAERN CC[C@@H]1CN(C(=O)CS(=O)(=O)CC(C)C)CCN1C[C@H](C)O ZINC000246673071 436783071 /nfs/dbraw/zinc/78/30/71/436783071.db2.gz AKOSNSWHIDGHQL-UONOGXRCSA-N 0 0 334.482 0.361 10 0 ECAERN Cc1ccc(S(N)(=O)=O)c(C(=O)N2CCN3CCCC[C@@H]3C2)c1 ZINC000155099639 436789871 /nfs/dbraw/zinc/78/98/71/436789871.db2.gz GSGDJSWGYFDPJC-CYBMUJFWSA-N 0 0 337.445 0.953 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)Nc1c(C)ccn(C)c1=O)CC2 ZINC000155318066 436792706 /nfs/dbraw/zinc/79/27/06/436792706.db2.gz LSFSNUMVXUEXTI-NSHDSACASA-N 0 0 330.392 0.984 10 0 ECAERN O=C(CS(=O)(=O)C1CCCC1)N1CCC[C@H](Cn2cncn2)C1 ZINC000127115553 436797949 /nfs/dbraw/zinc/79/79/49/436797949.db2.gz MMFXMEKZJGCCPZ-ZDUSSCGKSA-N 0 0 340.449 0.874 10 0 ECAERN C[C@](NC[C@H](O)CN1CCCC1=O)(C(N)=O)c1cccc(Cl)c1 ZINC000127224662 436798972 /nfs/dbraw/zinc/79/89/72/436798972.db2.gz WWSOCSJNVRFXEB-XJKSGUPXSA-N 0 0 339.823 0.613 10 0 ECAERN Cn1cnn(CN2C[C@@H]3CC[C@@H](NC(=O)OC(C)(C)C)[C@@H]3C2)c1=O ZINC000248621300 436805815 /nfs/dbraw/zinc/80/58/15/436805815.db2.gz MZIJUHHVVZEHBA-YNEHKIRRSA-N 0 0 337.424 0.774 10 0 ECAERN O=C1CCCN1C[C@@H](O)CN1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000131079636 436844552 /nfs/dbraw/zinc/84/45/52/436844552.db2.gz GTPYPWQLNCGUFL-INIZCTEOSA-N 0 0 349.406 0.453 10 0 ECAERN CN1CCO[C@H](CNC(=O)NCCc2nnc(-c3ccccc3)o2)C1 ZINC000158465661 436845622 /nfs/dbraw/zinc/84/56/22/436845622.db2.gz XRXLZOQMTHFDGH-CQSZACIVSA-N 0 0 345.403 0.909 10 0 ECAERN CC(C)CS(=O)(=O)CC(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000133787566 436885550 /nfs/dbraw/zinc/88/55/50/436885550.db2.gz SCRRRCCFOSEIEX-GFCCVEGCSA-N 0 0 342.465 0.903 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)COc1c(C)nn(C)c1C)CC2 ZINC000133796912 436885943 /nfs/dbraw/zinc/88/59/43/436885943.db2.gz TWESQQKJHRGHIB-GFCCVEGCSA-N 0 0 332.408 0.701 10 0 ECAERN CN1CCO[C@H](CNC(=O)NCCNC(=O)c2ccc(F)cc2)C1 ZINC000170924138 436962427 /nfs/dbraw/zinc/96/24/27/436962427.db2.gz CWBMPSCAKTZLKX-CQSZACIVSA-N 0 0 338.383 0.185 10 0 ECAERN O=C([O-])C[N@H+](CC1CC1)C1CC(NS(=O)(=O)N2CCCCC2)C1 ZINC000263504497 436969737 /nfs/dbraw/zinc/96/97/37/436969737.db2.gz VAVRSTBRBVVHMN-UHFFFAOYSA-N 0 0 345.465 0.634 10 0 ECAERN C[C@@H](CC(=O)NC[C@H](C)N1CCOCC1)NC(=O)C1CCCC1 ZINC000171373939 436977570 /nfs/dbraw/zinc/97/75/70/436977570.db2.gz BZZFPZFNYMUBAD-KBPBESRZSA-N 0 0 325.453 0.908 10 0 ECAERN C[C@@H](C(=O)NCCNC(=O)C(C)(C)C)N1C(=O)c2ccccc2C1=O ZINC000169839336 436943926 /nfs/dbraw/zinc/94/39/26/436943926.db2.gz QKBIPZDEAHQJOR-NSHDSACASA-N 0 0 345.399 0.950 10 0 ECAERN Cc1ccn2cc(C(=O)N3CCO[C@H](C[N@@H+](C)CC(=O)[O-])C3)nc2c1 ZINC000262935640 436944192 /nfs/dbraw/zinc/94/41/92/436944192.db2.gz MTUPFHWIQLQEKM-CYBMUJFWSA-N 0 0 346.387 0.500 10 0 ECAERN COc1ccc(C(=O)N2CCO[C@@H](C[N@H+](C)CC(=O)[O-])C2)cc1F ZINC000262934580 436944273 /nfs/dbraw/zinc/94/42/73/436944273.db2.gz MPUZQAIFZDSXKE-LBPRGKRZSA-N 0 0 340.351 0.692 10 0 ECAERN C[C@@H]1C[C@H](C)CN(C(=O)CN2CCC([N@H+](C)CC(=O)[O-])CC2)C1 ZINC000262920819 436945107 /nfs/dbraw/zinc/94/51/07/436945107.db2.gz KWXCEAGCHPRMQJ-OKILXGFUSA-N 0 0 325.453 0.972 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)NCCC(=O)OC(C)C)C1 ZINC000262922257 436945151 /nfs/dbraw/zinc/94/51/51/436945151.db2.gz FSOICFMXAYOPDY-UHFFFAOYSA-N 0 0 329.397 0.565 10 0 ECAERN CC(C)CCO[C@@H](C)C(=O)N1CCO[C@H](C[N@H+](C)CC(=O)[O-])C1 ZINC000263011853 436947903 /nfs/dbraw/zinc/94/79/03/436947903.db2.gz YTEVGAOJLMUTHF-UONOGXRCSA-N 0 0 330.425 0.681 10 0 ECAERN O=C(Cn1cc(NC(=O)[C@@H]2CC(F)(F)CN2)cn1)NC1CCCC1 ZINC000263012181 436948656 /nfs/dbraw/zinc/94/86/56/436948656.db2.gz PWPRSSODLOSJIA-LBPRGKRZSA-N 0 0 341.362 0.878 10 0 ECAERN C[C@H](CN1CCOCC1)N(Cc1ccccc1)C(=O)[C@@H]1CNC(=O)C1 ZINC000170847277 436957183 /nfs/dbraw/zinc/95/71/83/436957183.db2.gz CHFNQQSRDCQDPG-WBVHZDCISA-N 0 0 345.443 0.872 10 0 ECAERN Cc1ncc(CN2CCN(Cc3cc(=O)n(C)c(=O)n3C)CC2)s1 ZINC000171556529 436981877 /nfs/dbraw/zinc/98/18/77/436981877.db2.gz GRNXUDGBPARSGE-UHFFFAOYSA-N 0 0 349.460 0.167 10 0 ECAERN CCOC(=O)[C@@H]1CCCN(C(=O)CN2CCC[C@H](n3cncn3)C2)C1 ZINC000171635494 436983881 /nfs/dbraw/zinc/98/38/81/436983881.db2.gz WUIAVHIUFRBYSD-CABCVRRESA-N 0 0 349.435 0.717 10 0 ECAERN CN1C(=O)CC[C@@H](C(=O)NCC(=O)NC2CC2)[C@@H]1c1ccccc1 ZINC000171987339 436996267 /nfs/dbraw/zinc/99/62/67/436996267.db2.gz LKYRFMSXJJZYHM-PBHICJAKSA-N 0 0 329.400 0.991 10 0 ECAERN CCOCCN1CCN(S(=O)(=O)C[C@@H]2CCOC2)C[C@@H]1CC ZINC000172030399 436996652 /nfs/dbraw/zinc/99/66/52/436996652.db2.gz CDNWTEFCWDWHKJ-CABCVRRESA-N 0 0 334.482 0.785 10 0 ECAERN Cn1cc([C@@H]2CCN(C(=O)[C@@H]3CCCN3S(C)(=O)=O)C2)cn1 ZINC000172262272 437005656 /nfs/dbraw/zinc/00/56/56/437005656.db2.gz IXAXSFVRKDCFHB-YPMHNXCESA-N 0 0 326.422 0.160 10 0 ECAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)CCNS(C)(=O)=O)C2)n1 ZINC000172301454 437009794 /nfs/dbraw/zinc/00/97/94/437009794.db2.gz FJZKPWDAUOMSDE-CYBMUJFWSA-N 0 0 343.453 0.073 10 0 ECAERN CCOc1cc(C)nc(N2CCN(C(=O)Cc3cc[nH]n3)CC2)n1 ZINC000173155649 437040537 /nfs/dbraw/zinc/04/05/37/437040537.db2.gz HPIBLWDEPMRAJB-UHFFFAOYSA-N 0 0 330.392 0.798 10 0 ECAERN O=C(CNC(=O)c1cc2ccccc2[nH]1)N[C@H]1CCc2ncnn2C1 ZINC000173372499 437045816 /nfs/dbraw/zinc/04/58/16/437045816.db2.gz JSEFYBSRKKVUAV-LBPRGKRZSA-N 0 0 338.371 0.620 10 0 ECAERN Cc1nnc([C@@H]2CN(C(=O)c3ccc4c(c3)nnn4C)CCO2)[nH]1 ZINC000173516016 437054709 /nfs/dbraw/zinc/05/47/09/437054709.db2.gz HTGQBGKCOZCRJS-ZDUSSCGKSA-N 0 0 327.348 0.609 10 0 ECAERN Cc1nnc([C@H]2CN(C(=O)c3cn(CCC(C)C)nn3)CCO2)[nH]1 ZINC000173517989 437054761 /nfs/dbraw/zinc/05/47/61/437054761.db2.gz NUTSHXDMXSAIIY-CYBMUJFWSA-N 0 0 333.396 0.964 10 0 ECAERN Cc1nnc([C@@H]2CN(C(=O)c3cccc(-n4cnnn4)c3)CCO2)[nH]1 ZINC000173547401 437055839 /nfs/dbraw/zinc/05/58/39/437055839.db2.gz CIIHJEUBOOVLMU-ZDUSSCGKSA-N 0 0 340.347 0.303 10 0 ECAERN CCc1nnc([C@H]2CN(C(=O)CCNC(=O)CC(C)C)CCO2)[nH]1 ZINC000173576892 437058355 /nfs/dbraw/zinc/05/83/55/437058355.db2.gz XXQWYELBQGSJOE-GFCCVEGCSA-N 0 0 337.424 0.819 10 0 ECAERN CCc1nnc([C@H]2CN(C(=O)CCNC(=O)c3ccco3)CCO2)[nH]1 ZINC000173574268 437058432 /nfs/dbraw/zinc/05/84/32/437058432.db2.gz WKOBROXNVSOZFJ-GFCCVEGCSA-N 0 0 347.375 0.680 10 0 ECAERN Cc1nnc([C@@H]2CN(C(=O)C(=O)Nc3ccc(C)cc3)CCO2)[nH]1 ZINC000173607542 437058753 /nfs/dbraw/zinc/05/87/53/437058753.db2.gz XUYQZVHTRHLTDI-ZDUSSCGKSA-N 0 0 329.360 0.960 10 0 ECAERN CCCNC(=O)CCCC(=O)N1CCO[C@H](c2nnc(CC)[nH]2)C1 ZINC000173609140 437058831 /nfs/dbraw/zinc/05/88/31/437058831.db2.gz DAHPKBVNUOCWOG-LBPRGKRZSA-N 0 0 337.424 0.964 10 0 ECAERN Cc1nnc([C@@H]2CN(CC(=O)NCc3ccc(F)cc3)CCO2)[nH]1 ZINC000173680743 437060575 /nfs/dbraw/zinc/06/05/75/437060575.db2.gz CFKVSLWNAPGXMK-AWEZNQCLSA-N 0 0 333.367 0.942 10 0 ECAERN COc1ccccc1CNC(=O)CN1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000173669960 437060715 /nfs/dbraw/zinc/06/07/15/437060715.db2.gz CUDFHZSPIYXYKZ-OAHLLOKOSA-N 0 0 345.403 0.811 10 0 ECAERN CC[C@H](C)NC(=O)[C@@H](C)NC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000173798278 437064346 /nfs/dbraw/zinc/06/43/46/437064346.db2.gz VOJMYVOMMDMFBS-MJBXVCDLSA-N 0 0 326.441 0.406 10 0 ECAERN NC(=O)c1cccc(CCNC(=O)N2CC[C@@H](N3CCOCC3)C2)c1 ZINC000173800261 437064448 /nfs/dbraw/zinc/06/44/48/437064448.db2.gz ATDTYSQLQGSSQF-MRXNPFEDSA-N 0 0 346.431 0.444 10 0 ECAERN C[C@@H]1CN(C(=O)CN2CCCCCCC2=O)C[C@@H]1N1CCOCC1 ZINC000173828664 437065094 /nfs/dbraw/zinc/06/50/94/437065094.db2.gz ZOYCTULYQQMJBI-CVEARBPZSA-N 0 0 337.464 0.958 10 0 ECAERN CCOCCS(=O)(=O)N1CCCN(Cc2noc(C)n2)CC1 ZINC000173826762 437066237 /nfs/dbraw/zinc/06/62/37/437066237.db2.gz CUTISBZFONHXER-UHFFFAOYSA-N 0 0 332.426 0.252 10 0 ECAERN Cc1cccc2c1N(C(=O)C(=O)N1CC[C@@H](N3CCOCC3)C1)CC2 ZINC000174010835 437073426 /nfs/dbraw/zinc/07/34/26/437073426.db2.gz IMDUMBRSDZPGJY-MRXNPFEDSA-N 0 0 343.427 0.817 10 0 ECAERN CCCCCS(=O)(=O)CC(=O)N1CCN(C[C@@H](C)O)[C@H](CC)C1 ZINC000174631539 437083094 /nfs/dbraw/zinc/08/30/94/437083094.db2.gz KOZYXEKCIQFFLB-HUUCEWRRSA-N 0 0 348.509 0.895 10 0 ECAERN Cc1cnn(C[C@H]2CN(S(=O)(=O)CCOC(C)C)CCO2)c1 ZINC000175113642 437095858 /nfs/dbraw/zinc/09/58/58/437095858.db2.gz KUJBNVPKKWYUBM-AWEZNQCLSA-N 0 0 331.438 0.647 10 0 ECAERN CCN(CC)S(=O)(=O)CC(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000175066407 437095922 /nfs/dbraw/zinc/09/59/22/437095922.db2.gz WQXVPDAPHDARRA-UHFFFAOYSA-N 0 0 328.438 0.787 10 0 ECAERN CC(C)Cn1cc(C(=O)N2CCC[C@H]2Cn2cc(CO)nn2)cn1 ZINC000299743203 437108143 /nfs/dbraw/zinc/10/81/43/437108143.db2.gz KAASYVWWEHSHBK-HNNXBMFYSA-N 0 0 332.408 0.928 10 0 ECAERN COc1cc2c(cc1F)ncnc2NC[C@H](O)CN1CCOCC1 ZINC000302164829 437142013 /nfs/dbraw/zinc/14/20/13/437142013.db2.gz IWBKAVAJXQRBHX-NSHDSACASA-N 0 0 336.367 0.883 10 0 ECAERN Cc1nnc2ccc(N3CCN(c4ccncc4C(N)=O)CC3)nn12 ZINC000302229096 437143850 /nfs/dbraw/zinc/14/38/50/437143850.db2.gz RCQUMCVDLQMWTH-UHFFFAOYSA-N 0 0 338.375 0.253 10 0 ECAERN Cc1ccc([C@@](C)(O)CNc2cc(N3CCN(C)C(=O)C3)ncn2)o1 ZINC000302559227 437147375 /nfs/dbraw/zinc/14/73/75/437147375.db2.gz KXAZUUXBQIIBPF-KRWDZBQOSA-N 0 0 345.403 0.976 10 0 ECAERN CC(C)n1nnnc1C[S@@](=O)CC(=O)NCc1ccc(F)cc1 ZINC000176566704 437149496 /nfs/dbraw/zinc/14/94/96/437149496.db2.gz FRJZQFAXUIWLBC-HSZRJFAPSA-N 0 0 339.396 0.958 10 0 ECAERN COCCN1CCN(C(=O)C(=O)Nc2ccnn2C(C)C)C[C@@H]1C ZINC000176036886 437126974 /nfs/dbraw/zinc/12/69/74/437126974.db2.gz ICPNRXGPJMFGDC-ZDUSSCGKSA-N 0 0 337.424 0.582 10 0 ECAERN CC(C)c1nnc2n1C[C@H](NC(=O)c1cc(C(N)=O)cn1C)CC2 ZINC000176157909 437132350 /nfs/dbraw/zinc/13/23/50/437132350.db2.gz WDOQADBUOPHBQW-LLVKDONJSA-N 0 0 330.392 0.584 10 0 ECAERN CCOC(=O)c1cnc2c(c(C)nn2C)c1N1CC[C@H](C(N)=O)C1 ZINC000302011780 437135306 /nfs/dbraw/zinc/13/53/06/437135306.db2.gz CRHLUDDZNZIXBG-JTQLQIEISA-N 0 0 331.376 0.765 10 0 ECAERN CCOCCS(=O)(=O)NCC(=O)NC1C2CC3CC(C2)CC1C3 ZINC000177347084 437179888 /nfs/dbraw/zinc/17/98/88/437179888.db2.gz IVSYGZGHZIOLBQ-UHFFFAOYSA-N 0 0 344.477 0.883 10 0 ECAERN O=C(CCS(=O)(=O)C1CCCC1)N[C@@H]1CCCn2ncnc21 ZINC000177539527 437190788 /nfs/dbraw/zinc/19/07/88/437190788.db2.gz GTRRJNIFRGTGFI-GFCCVEGCSA-N 0 0 326.422 0.977 10 0 ECAERN O=C(Nc1cc(F)c(F)c(F)c1)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000177626473 437192098 /nfs/dbraw/zinc/19/20/98/437192098.db2.gz WEKGGFWAUGSVLV-ZETCQYMHSA-N 0 0 339.277 0.765 10 0 ECAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)NC[C@@](C)(O)C(C)C ZINC000177686653 437196549 /nfs/dbraw/zinc/19/65/49/437196549.db2.gz IEBNPOVCJGJDRZ-XHDPSFHLSA-N 0 0 325.413 0.966 10 0 ECAERN CNC(=O)[C@H](NC(=O)Cn1nc(-c2ccccc2)ccc1=O)C(C)C ZINC000178719881 437224602 /nfs/dbraw/zinc/22/46/02/437224602.db2.gz WWAUFWFCZZBUCT-QGZVFWFLSA-N 0 0 342.399 0.797 10 0 ECAERN CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CN2CCN1CC2 ZINC000178730570 437226509 /nfs/dbraw/zinc/22/65/09/437226509.db2.gz KZQYCHFTZYMNRQ-KGLIPLIRSA-N 0 0 340.468 0.796 10 0 ECAERN CNC(=O)[C@H](NC(=O)c1cc(C(N)=O)n(-c2ccccc2)n1)C(C)C ZINC000178863732 437236760 /nfs/dbraw/zinc/23/67/60/437236760.db2.gz PTVSHBMTUBHWEQ-CQSZACIVSA-N 0 0 343.387 0.472 10 0 ECAERN O=C1[C@H](N2CCO[C@@H](Cn3cccn3)C2)CCN1C1CCOCC1 ZINC000328667658 437248825 /nfs/dbraw/zinc/24/88/25/437248825.db2.gz KYVWHZHZLAKTKB-HZPDHXFCSA-N 0 0 334.420 0.364 10 0 ECAERN Cc1ccccc1CN1CCN(C(=O)CN2C[C@H](O)C[C@@H]2CO)CC1 ZINC000179170190 437252319 /nfs/dbraw/zinc/25/23/19/437252319.db2.gz FCSDGKAPPJHGED-QZTJIDSGSA-N 0 0 347.459 0.067 10 0 ECAERN O=S(=O)(CC1CCOCC1)N1CCC[C@H](Cn2cncn2)C1 ZINC000180971798 437306756 /nfs/dbraw/zinc/30/67/56/437306756.db2.gz FVUKUSNCHBDXDR-CQSZACIVSA-N 0 0 328.438 0.747 10 0 ECAERN Cn1ncnc1NC(=O)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000181252936 437315447 /nfs/dbraw/zinc/31/54/47/437315447.db2.gz CUMLUCMINDEAHO-AWEZNQCLSA-N 0 0 330.392 0.698 10 0 ECAERN CC(C)Cc1ccc(S(=O)(=O)N2CCOC[C@@H]2C(N)=O)cc1 ZINC000179686626 437272011 /nfs/dbraw/zinc/27/20/11/437272011.db2.gz BFAWHUQKOPYQII-CQSZACIVSA-N 0 0 326.418 0.760 10 0 ECAERN Cc1nc(-c2ccccc2)ncc1C(=O)N1CCOC[C@H]1C(N)=O ZINC000180273157 437284584 /nfs/dbraw/zinc/28/45/84/437284584.db2.gz MLHBWPNWSDQCTQ-AWEZNQCLSA-N 0 0 326.356 0.778 10 0 ECAERN CN1CCc2ccc(NC(=O)C(=O)N[C@@H]3CCCn4ncnc43)cc21 ZINC000180699612 437299595 /nfs/dbraw/zinc/29/95/95/437299595.db2.gz QIQJFCQJIZWFRH-CYBMUJFWSA-N 0 0 340.387 0.860 10 0 ECAERN CCOCCN1CCN(C(=O)c2cnc3c(c2)nnn3C)C[C@H]1C ZINC000182713382 437360539 /nfs/dbraw/zinc/36/05/39/437360539.db2.gz FWUDYVWBFOIKSM-GFCCVEGCSA-N 0 0 332.408 0.546 10 0 ECAERN CC(=O)N[C@@H](CC(C)C)C(=O)N1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000183110571 437374530 /nfs/dbraw/zinc/37/45/30/437374530.db2.gz XOIWCJNXYINIDB-HOTGVXAUSA-N 0 0 336.436 0.970 10 0 ECAERN O=C(NC[C@@H](O)CN1CCOCC1)c1ncccc1C(F)(F)F ZINC000092277406 303785249 /nfs/dbraw/zinc/78/52/49/303785249.db2.gz WPRXKRBGSZQWCG-SNVBAGLBSA-N 0 0 333.310 0.523 10 0 ECAERN NC(=O)[C@H]1COCCN1c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000182031224 437335412 /nfs/dbraw/zinc/33/54/12/437335412.db2.gz DQEOQKTVYBFQJP-SNVBAGLBSA-N 0 0 338.307 0.671 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)NCc2ccc(CO)c(F)c2)CC1 ZINC000185005666 437422076 /nfs/dbraw/zinc/42/20/76/437422076.db2.gz UBVRFLNIJLFIQV-OAHLLOKOSA-N 0 0 339.411 0.916 10 0 ECAERN COCC(=O)NC1CN(C[C@H](O)COc2ccccc2C(C)C)C1 ZINC000185093083 437424076 /nfs/dbraw/zinc/42/40/76/437424076.db2.gz QDBAYAPILJEZMH-HNNXBMFYSA-N 0 0 336.432 0.997 10 0 ECAERN OC[C@H]1C[C@H](O)CN1Cc1nnnn1-c1ccc(OC(F)F)cc1 ZINC000185153131 437426958 /nfs/dbraw/zinc/42/69/58/437426958.db2.gz MZGCWVSCIRKFRR-MNOVXSKESA-N 0 0 341.318 0.191 10 0 ECAERN COCC(=O)NC1CN(C(=O)Cc2c(C)nn(C(F)F)c2C)C1 ZINC000185240561 437431939 /nfs/dbraw/zinc/43/19/39/437431939.db2.gz VUZHQFYHKYZSEP-UHFFFAOYSA-N 0 0 330.335 0.411 10 0 ECAERN O=C(CN1C[C@@H](O)C[C@@H]1CO)NCc1ccc(OC(F)F)cc1 ZINC000185174832 437430148 /nfs/dbraw/zinc/43/01/48/437430148.db2.gz HHGOLVBKKDLFNF-NEPJUHHUSA-N 0 0 330.331 0.332 10 0 ECAERN CCc1noc([C@H](C)N2CCN(Cc3nc(N(C)C)no3)CC2)n1 ZINC000185258884 437432455 /nfs/dbraw/zinc/43/24/55/437432455.db2.gz JVBDWZNWAYADQH-NSHDSACASA-N 0 0 335.412 0.960 10 0 ECAERN CCOc1ccnc(N2CCN(Cc3nc(N(C)C)no3)CC2)n1 ZINC000185258910 437432767 /nfs/dbraw/zinc/43/27/67/437432767.db2.gz FLDQZGCMUAPHDR-UHFFFAOYSA-N 0 0 333.396 0.647 10 0 ECAERN Cc1nnc(C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)s1 ZINC000185339238 437436424 /nfs/dbraw/zinc/43/64/24/437436424.db2.gz KCTVXGCMDXNOQN-SSDOTTSWSA-N 0 0 326.403 0.985 10 0 ECAERN CCOc1ccnc(N2CCN(C(=O)c3nnc(C)s3)CC2)n1 ZINC000185435809 437437894 /nfs/dbraw/zinc/43/78/94/437437894.db2.gz PMYRZHGBBJTXKE-UHFFFAOYSA-N 0 0 334.405 0.998 10 0 ECAERN CCOC(=O)c1nn(C)cc1CN1CCO[C@@H](Cn2cccn2)C1 ZINC000186220418 437466284 /nfs/dbraw/zinc/46/62/84/437466284.db2.gz AEWNFLFBTRXYDW-CQSZACIVSA-N 0 0 333.392 0.694 10 0 ECAERN COCC(=O)NC1CN(C(=O)c2ccn(-c3ccc(F)cc3C)n2)C1 ZINC000186312870 437469319 /nfs/dbraw/zinc/46/93/19/437469319.db2.gz MXNJGTNMQOAEAL-UHFFFAOYSA-N 0 0 346.362 0.907 10 0 ECAERN COCC(=O)NC1CN(C(=O)NCc2nc3ccccc3n2C)C1 ZINC000188234548 437537629 /nfs/dbraw/zinc/53/76/29/437537629.db2.gz NNWQHQLOHOZCPY-UHFFFAOYSA-N 0 0 331.376 0.230 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)[C@H](C)NC(=O)CC(C)(C)C)CC1 ZINC000189302022 437589410 /nfs/dbraw/zinc/58/94/10/437589410.db2.gz BAEKDDZTOXMPHJ-UONOGXRCSA-N 0 0 327.469 0.842 10 0 ECAERN CCOC(=O)C1CCC(O)(C[NH+]2CCN([C@@H](CC)CO)CC2)CC1 ZINC000190917662 437641986 /nfs/dbraw/zinc/64/19/86/437641986.db2.gz DQMUOOKSPSSUPT-PQUAAJSLSA-N 0 0 342.480 0.859 10 0 ECAERN CCOCCN1CCN(C(=O)C(=O)Nc2cccc(C)n2)C[C@H]1C ZINC000193276731 437706276 /nfs/dbraw/zinc/70/62/76/437706276.db2.gz NIVUJVWTCYJKFU-CQSZACIVSA-N 0 0 334.420 0.898 10 0 ECAERN C[C@H](NC(=O)C(=O)Nc1ccccc1-n1ccnn1)[C@H]1CCCO1 ZINC000193620058 437710567 /nfs/dbraw/zinc/71/05/67/437710567.db2.gz FILBQHWGTVUEQV-SMDDNHRTSA-N 0 0 329.360 0.890 10 0 ECAERN CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N1CCN2CCCC[C@H]2C1 ZINC000365104842 437860510 /nfs/dbraw/zinc/86/05/10/437860510.db2.gz KZXJITCGBODAMD-KBPBESRZSA-N 0 0 345.465 0.429 10 0 ECAERN COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1S(=O)(=O)[C@@H](C)C(=O)N(C)C ZINC000365116436 437860716 /nfs/dbraw/zinc/86/07/16/437860716.db2.gz JXTKOXGVUSIQKU-RVMXOQNASA-N 0 0 346.449 0.599 10 0 ECAERN CN1CCO[C@H](C(=O)N2C[C@H](O)C[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000374259679 438200306 /nfs/dbraw/zinc/20/03/06/438200306.db2.gz QCOYCALRHGVTQN-DFBGVHRSSA-N 0 0 326.343 0.930 10 0 ECAERN CN1C[C@@H](NC(=O)CN2CCC(=O)NC2=O)CC[C@H]1C(F)(F)F ZINC000583620020 439489733 /nfs/dbraw/zinc/48/97/33/439489733.db2.gz JJOYSJBSTIIGBT-IUCAKERBSA-N 0 0 336.314 0.070 10 0 ECAERN CS(=O)(=O)N1CCN(Cc2ncc(N)c(-c3ccccc3)n2)CC1 ZINC000584639323 439605770 /nfs/dbraw/zinc/60/57/70/439605770.db2.gz PGYPYUXOFNKLRW-UHFFFAOYSA-N 0 0 347.444 0.803 10 0 ECAERN NC(=O)c1ccc([C@@H]2CN(S(N)(=O)=O)c3ccccc3N2)cc1 ZINC000616679848 439820763 /nfs/dbraw/zinc/82/07/63/439820763.db2.gz GYVBHEFTVIPTFJ-ZDUSSCGKSA-N 0 0 332.385 0.962 10 0 ECAERN NC(=O)c1cccc([C@@H]2c3ccccc3CCN2S(N)(=O)=O)c1 ZINC000616689334 439820965 /nfs/dbraw/zinc/82/09/65/439820965.db2.gz CAEYWEKAHYPLFI-OAHLLOKOSA-N 0 0 331.397 0.937 10 0 ECAERN O=C(CNC(=O)c1cccc(Br)c1)N[C@@H]1CCNC1=O ZINC000616971433 439825969 /nfs/dbraw/zinc/82/59/69/439825969.db2.gz QMBVZXGPTVBKIX-SNVBAGLBSA-N 0 0 340.177 0.184 10 0 ECAERN CCn1nc(NC(=O)C[C@@H]2CS(=O)(=O)CCN2C)cc1C1CC1 ZINC000644382453 440560282 /nfs/dbraw/zinc/56/02/82/440560282.db2.gz QNIINIKHBPDNIJ-GFCCVEGCSA-N 0 0 340.449 0.838 10 0 ECAERN CNC(=O)[C@H]1CCCN(C(=O)c2cn(C)nc2C2CCOCC2)C1 ZINC000644357737 440545221 /nfs/dbraw/zinc/54/52/21/440545221.db2.gz PIXJFJUOOWRWPG-ZDUSSCGKSA-N 0 0 334.420 0.912 10 0 ECAERN O=C(c1cccc(C(F)(F)F)n1)N1C[C@@H](O)[C@H](n2ccnn2)C1 ZINC000630010539 440829601 /nfs/dbraw/zinc/82/96/01/440829601.db2.gz HSENOJNRAJQCHH-NXEZZACHSA-N 0 0 327.266 0.750 10 0 ECAERN CCN1CCO[C@@H](CNS(=O)(=O)C2CC2)[C@@H]1c1cnn(C)c1 ZINC000657120294 440961360 /nfs/dbraw/zinc/96/13/60/440961360.db2.gz UXOCCUJXJAWIOE-KBPBESRZSA-N 0 0 328.438 0.264 10 0 ECAERN Cc1sc(Br)cc1S(=O)(=O)N[C@@H]1CCNC1=O ZINC000657029481 440927943 /nfs/dbraw/zinc/92/79/43/440927943.db2.gz AXLLQWLPFOPDLW-ZCFIWIBFSA-N 0 0 339.236 0.986 10 0 ECAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)NCCn3cccn3)CCO2)n1 ZINC000172036226 320516242 /nfs/dbraw/zinc/51/62/42/320516242.db2.gz QGYGJSBPUPOMAS-HNNXBMFYSA-N 0 0 332.408 0.807 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)NCC(C)(C)N2CCOCC2)CC1 ZINC000184705995 320534478 /nfs/dbraw/zinc/53/44/78/320534478.db2.gz ZOZWKZKHJGBZFR-HNNXBMFYSA-N 0 0 342.484 0.195 10 0 ECAERN Cc1cn2cc(C(=O)N(CCO)CCN3CCOCC3)sc2n1 ZINC000328808015 320733953 /nfs/dbraw/zinc/73/39/53/320733953.db2.gz LPSIGUJSBVCTGF-UHFFFAOYSA-N 0 0 338.433 0.471 10 0 ECAERN C[C@@H]1CN(C(=O)[C@@H]2CC[C@@H](C(=O)N3CCO[C@H](C)C3)O2)CCO1 ZINC000329286767 320764304 /nfs/dbraw/zinc/76/43/04/320764304.db2.gz MDZQHSFHMKRIHK-MQYQWHSLSA-N 0 0 326.393 0.029 10 0 ECAERN NC(=O)[C@H]1CCCN(C(=O)CN2C(=O)N[C@]3(CCSC3)C2=O)C1 ZINC000329323714 320766387 /nfs/dbraw/zinc/76/63/87/320766387.db2.gz HQLRNRQFIWPZJE-XPTSAGLGSA-N 0 0 340.405 0.392 10 0 ECAERN O=C(C1CCCC1)N1CCC[C@@H]1C(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000329455798 320773405 /nfs/dbraw/zinc/77/34/05/320773405.db2.gz PZCNJBITVUZZLP-OLZOCXBDSA-N 0 0 348.403 0.771 10 0 ECAERN C[C@@H]1CN(C(=O)[C@@H]2COCCN2CC2CCC2)C[C@H](C)S1(=O)=O ZINC000329666020 320783908 /nfs/dbraw/zinc/78/39/08/320783908.db2.gz QEEBLERGZYPQGE-GUTXKFCHSA-N 0 0 344.477 0.521 10 0 ECAERN C[C@H](CC(=O)N1CCS(=O)(=O)C(C)(C)C1)N1CCCCC1=O ZINC000329910980 320795038 /nfs/dbraw/zinc/79/50/38/320795038.db2.gz AHGCALPPQSCDEL-GFCCVEGCSA-N 0 0 330.450 0.813 10 0 ECAERN Cc1ccc(CS(=O)(=O)NC[C@@H](O)CN2CCOCC2)cc1F ZINC000184203700 534101365 /nfs/dbraw/zinc/10/13/65/534101365.db2.gz UYIUDPLTKZINBW-CQSZACIVSA-N 0 0 346.424 0.247 10 0 ECAERN C[C@@H]1CN(C(=O)c2cccc(NC(N)=O)c2)C[C@H]1N1CCOCC1 ZINC000173960869 534429177 /nfs/dbraw/zinc/42/91/77/534429177.db2.gz VXHUYSYIDGAIPF-IUODEOHRSA-N 0 0 332.404 0.970 10 0 ECAERN CC(=O)NC1CN(C(=O)C(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000191341970 526704973 /nfs/dbraw/zinc/70/49/73/526704973.db2.gz ZYVMEWMRKSKHJJ-UHFFFAOYSA-N 0 0 329.278 0.991 10 0 ECAERN CC(=O)NC1CN(C(=O)C(=O)Nc2cc(Cl)ccc2N(C)C)C1 ZINC000191347634 526705024 /nfs/dbraw/zinc/70/50/24/526705024.db2.gz HQUAITIZTSKOQX-UHFFFAOYSA-N 0 0 338.795 0.691 10 0 ECAERN CC(=O)NC1CN(C(=O)C(=O)Nc2ccc(Br)nc2)C1 ZINC000191340426 526705456 /nfs/dbraw/zinc/70/54/56/526705456.db2.gz ZVNNUEAVNJMWAI-UHFFFAOYSA-N 0 0 341.165 0.130 10 0 ECAERN CC(=O)NC1CN(C(=O)C(=O)Nc2c(C)noc2-c2ccccc2)C1 ZINC000191347183 526705673 /nfs/dbraw/zinc/70/56/73/526705673.db2.gz FYWNKQXPJMWDDG-UHFFFAOYSA-N 0 0 342.355 0.935 10 0 ECAERN CC(=O)NC1CN(C(=O)NCc2ccc(N3CCCC3=O)cc2)C1 ZINC000189735884 526710368 /nfs/dbraw/zinc/71/03/68/526710368.db2.gz QTTIEYIVLBUEMT-UHFFFAOYSA-N 0 0 330.388 0.843 10 0 ECAERN CC1(C)NC(=O)CC[C@@H]1NC(=O)N[C@H]1CCCN(c2ncccn2)C1 ZINC000374688601 534966527 /nfs/dbraw/zinc/96/65/27/534966527.db2.gz ZBPJBWOCMBQPCQ-STQMWFEESA-N 0 0 346.435 0.802 10 0 ECAERN Cc1cnn(C[C@H]2CN(S(=O)(=O)CC[C@@H]3CCCO3)CCO2)c1 ZINC000120411113 545751301 /nfs/dbraw/zinc/75/13/01/545751301.db2.gz BQTROWYAWYRMKD-GJZGRUSLSA-N 0 0 343.449 0.791 10 0 ECAERN O=S(=O)(CC[C@H]1CCCO1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000246033962 545937971 /nfs/dbraw/zinc/93/79/71/545937971.db2.gz QGRGFBPTEVIEOL-KGLIPLIRSA-N 0 0 329.422 0.483 10 0 ECAERN CS(=O)(=O)N1CCC[C@@H]1C(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000248031343 545942273 /nfs/dbraw/zinc/94/22/73/545942273.db2.gz QNMRLJGYLXHRCW-GUTXKFCHSA-N 0 0 330.450 0.564 10 0 ECAERN Cc1nc(C)c(Br)c(N2CCC[C@](O)(C(N)=O)C2)n1 ZINC000322795560 545998349 /nfs/dbraw/zinc/99/83/49/545998349.db2.gz APGYCUKBDPUUHX-GFCCVEGCSA-N 0 0 329.198 0.673 10 0 ECAERN O=C(N[C@H]1CCCOC1)[C@H]1CC[C@@H](C(=O)N[C@@H]2CCCOC2)O1 ZINC000332984449 546056736 /nfs/dbraw/zinc/05/67/36/546056736.db2.gz UEAZYLWBZDGPTM-LVEBTZEWSA-N 0 0 326.393 0.124 10 0 ECAERN O=S(=O)(CCCOCc1ccccc1)N[C@H]1CCOC[C@@H]1O ZINC000625591528 547159673 /nfs/dbraw/zinc/15/96/73/547159673.db2.gz GXYWIPLEWISGJS-GJZGRUSLSA-N 0 0 329.418 0.663 10 0 ECAERN O=S(=O)(N[C@@H]1CCOC[C@@H]1O)c1ccc(Br)cc1 ZINC000625592414 547160791 /nfs/dbraw/zinc/16/07/91/547160791.db2.gz UISBVPSWFFNTEA-MNOVXSKESA-N 0 0 336.207 0.877 10 0 ECAERN Cn1cc(O[C@@H]2CN(Cc3nccn3CC(F)(F)F)C[C@H]2O)cn1 ZINC000625626071 547181522 /nfs/dbraw/zinc/18/15/22/547181522.db2.gz UZPUOFPKSVUCTJ-VXGBXAGGSA-N 0 0 345.325 0.803 10 0 ECAERN Cc1cc(C)n(-c2cncc(N3CC[C@@](O)(Cn4ccnn4)C3)n2)n1 ZINC000671467299 548154179 /nfs/dbraw/zinc/15/41/79/548154179.db2.gz WVAPZAJJPAYIMQ-INIZCTEOSA-N 0 0 340.391 0.512 10 0 ECAERN O=C(NCc1nccc(N2CCOCC2)n1)c1ccc2c(c1)OCO2 ZINC000224169809 564087774 /nfs/dbraw/zinc/08/77/74/564087774.db2.gz LHFYVTBVGKKIFO-UHFFFAOYSA-N 0 0 342.355 0.972 10 0 ECAERN CC(C)(C)OC(=O)N1CC[C@]2(CC(=O)O[C@@H]2CS(N)(=O)=O)C1 ZINC000757224641 579460197 /nfs/dbraw/zinc/46/01/97/579460197.db2.gz PVGIUIBJVYAASA-RNCFNFMXSA-N 0 0 334.394 0.218 10 0 ECAERN CC(=O)N[C@@H]1CCCN(C(=O)CC[C@@H]2CC[C@@H](C3OCCO3)O2)C1 ZINC000895765640 586203486 /nfs/dbraw/zinc/20/34/86/586203486.db2.gz NPUPVBMDHNTYHK-ILXRZTDVSA-N 0 0 340.420 0.814 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)c2cc([C@@H]3CCCN3C)[nH]n2)CC1 ZINC000896210897 586227887 /nfs/dbraw/zinc/22/78/87/586227887.db2.gz OXLNSIVRGZNMQI-BBRMVZONSA-N 0 0 335.452 0.705 10 0 ECAERN CCn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2cnn(C)c2OC)cn1 ZINC000888093535 586348400 /nfs/dbraw/zinc/34/84/00/586348400.db2.gz CSJLUPQGERQXDV-QWHCGFSZSA-N 0 0 335.364 0.221 10 0 ECAERN O=C(N[C@@H]1C[C@@H](O)C12CCOCC2)c1cccc2c1OCC(=O)N2 ZINC000888095441 586349475 /nfs/dbraw/zinc/34/94/75/586349475.db2.gz YJBLZHVVUHUDSU-CHWSQXEVSA-N 0 0 332.356 0.677 10 0 ECAERN CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(S(=O)(=O)c2ccnn2C)C1 ZINC000888102767 586350749 /nfs/dbraw/zinc/35/07/49/586350749.db2.gz LJRHJAYIHBYDKO-NEPJUHHUSA-N 0 0 339.421 0.911 10 0 ECAERN Cc1noc([C@]2(O)CCN(Cc3nc(Br)c[nH]3)C2)n1 ZINC000894489073 586396683 /nfs/dbraw/zinc/39/66/83/586396683.db2.gz OSLLBOJVYUNLGW-NSHDSACASA-N 0 0 328.170 0.957 10 0 ECAERN CN1CCO[C@@H](C(=O)N[C@H]2CCCc3c2cnn3C(C)(C)C)C1=O ZINC000900316539 586536513 /nfs/dbraw/zinc/53/65/13/586536513.db2.gz QCSZIASOUUNSMQ-JSGCOSHPSA-N 0 0 334.420 0.989 10 0 ECAERN O=C(CN1CCC[C@](O)(Cc2nc(C3CC3)no2)C1)N1CCCC1 ZINC000818248842 587417735 /nfs/dbraw/zinc/41/77/35/587417735.db2.gz TYOHUJAHBVOLFY-KRWDZBQOSA-N 0 0 334.420 0.939 10 0 ECAERN O=C(CN1CCC[C@@H](n2cncn2)C1)N1CCC2(CC1)OCCO2 ZINC000105898946 589149605 /nfs/dbraw/zinc/14/96/05/589149605.db2.gz ZFEHLQBLTIEUQQ-CQSZACIVSA-N 0 0 335.408 0.281 10 0 ECAERN COCc1nn(CN2CCO[C@H](Cn3nc(C)cc3C)C2)c(=O)o1 ZINC000119737595 590049138 /nfs/dbraw/zinc/04/91/38/590049138.db2.gz JMOACDNGXKUFFN-ZDUSSCGKSA-N 0 0 337.380 0.155 10 0 ECAERN COc1nccnc1CN1CC(N2C[C@@H](c3nc(C)no3)CC2=O)C1 ZINC000864310018 590068369 /nfs/dbraw/zinc/06/83/69/590068369.db2.gz CHVSMAUJALTWCI-NSHDSACASA-N 0 0 344.375 0.377 10 0 ECAERN CN(C(=O)CSc1nncn1C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000136359905 590781052 /nfs/dbraw/zinc/78/10/52/590781052.db2.gz ZOHUIHCTUBCCHE-GFCCVEGCSA-N 0 0 347.448 0.825 10 0 ECAERN NC(=O)[C@]1(N2CCN(C(=O)c3ccoc3Cl)CC2)CCOC1 ZINC000886077545 590790741 /nfs/dbraw/zinc/79/07/41/590790741.db2.gz HRJDZERXLONIKB-AWEZNQCLSA-N 0 0 327.768 0.335 10 0 ECAERN COc1ncc(CNC(=O)CN2CCCC[C@@H](O)C2=O)cc1Cl ZINC000886078455 590791606 /nfs/dbraw/zinc/79/16/06/590791606.db2.gz SPCFGYNWHHOPFO-GFCCVEGCSA-N 0 0 341.795 0.733 10 0 ECAERN Cc1ccnc(C(=O)N[C@@H]2CCC(=O)N(C)[C@H]2c2nccn2C)n1 ZINC000886084811 590792739 /nfs/dbraw/zinc/79/27/39/590792739.db2.gz ITGBQEOHIAFCHZ-DGCLKSJQSA-N 0 0 328.376 0.610 10 0 ECAERN CO[C@H]1CCCCN(CC(=O)N2CC(=O)Nc3ccccc32)C1=O ZINC000886091350 590793668 /nfs/dbraw/zinc/79/36/68/590793668.db2.gz KZMPJYSBRRCLSC-AWEZNQCLSA-N 0 0 331.372 0.999 10 0 ECAERN CNc1ncc(C(=O)N2CCN(c3ccc4nncn4n3)CC2)s1 ZINC000161811112 608881833 /nfs/dbraw/zinc/88/18/33/608881833.db2.gz SWBFFSHMAVMTAW-UHFFFAOYSA-N 0 0 344.404 0.585 10 0 ECAERN CCc1noc([C@@H](C)N2CCN(CN3CC(=O)N(C)C3=O)CC2)n1 ZINC000182279685 609101689 /nfs/dbraw/zinc/10/16/89/609101689.db2.gz CEHTWYUONRQHPS-LLVKDONJSA-N 0 0 336.396 0.162 10 0 ECAERN CN1C(=O)CC[C@@H](C(=O)NC2CC(CO)(CO)C2)[C@@H]1c1ccccc1 ZINC000913314398 609665267 /nfs/dbraw/zinc/66/52/67/609665267.db2.gz KBAYYRBTUSLMLB-WBVHZDCISA-N 0 0 346.427 0.846 10 0 ECAERN CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H](O)[C@@H]1n1cccn1 ZINC000909179747 609680890 /nfs/dbraw/zinc/68/08/90/609680890.db2.gz ATSXLEJRHHUNSO-UXXRCYHCSA-N 0 0 345.403 0.668 10 0 ECAERN COCCS(=O)(=O)N1CCn2c(nnc2C(F)(F)F)[C@@H]1C ZINC000223521931 609712165 /nfs/dbraw/zinc/71/21/65/609712165.db2.gz SCYMFZSALPYJRB-ZETCQYMHSA-N 0 0 328.316 0.650 10 0 ECAERN C[C@H]1CN(C(=O)CN2CCC(N(C)c3cccnn3)CC2)CCO1 ZINC000171553415 609761988 /nfs/dbraw/zinc/76/19/88/609761988.db2.gz AVKAJBVKXLMWOS-AWEZNQCLSA-N 0 0 333.436 0.625 10 0 ECAERN Cn1cc(C[C@@H]2CC(=O)N(CN3CCO[C@H]4CCCC[C@@H]43)C2=O)cn1 ZINC000173885308 609785156 /nfs/dbraw/zinc/78/51/56/609785156.db2.gz QNWVMYFVXNVADJ-PMPSAXMXSA-N 0 0 346.431 0.939 10 0 ECAERN O=c1c2ccccc2cnn1CN1CCO[C@H](Cn2cccn2)C1 ZINC000152809373 609881564 /nfs/dbraw/zinc/88/15/64/609881564.db2.gz OHYVTHKYGHQDMT-HNNXBMFYSA-N 0 0 325.372 0.952 10 0 ECAERN CC(C)(C)OC(=O)N1CC([C@@H](F)C(=O)N2CCOC[C@H]2CO)C1 ZINC000912417051 609956724 /nfs/dbraw/zinc/95/67/24/609956724.db2.gz PUZUDIMNHNPGNE-VXGBXAGGSA-N 0 0 332.372 0.411 10 0 ECAERN Cc1cn([C@@H]2C[C@@H](OC(=O)c3ccccc3)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC000078920842 611925901 /nfs/dbraw/zinc/92/59/01/611925901.db2.gz CZRPYTUJUAJMJJ-MCIONIFRSA-N 0 0 346.339 0.350 10 0 ECAERN CC(=O)N[C@@H]1CCCN(CN2C(=O)N[C@@H](Cc3ccccc3)C2=O)C1 ZINC000077444161 612066764 /nfs/dbraw/zinc/06/67/64/612066764.db2.gz HNXBNXPGVPHXQS-CVEARBPZSA-N 0 0 344.415 0.708 10 0 ECAERN Cc1n[nH]c(CCC(=O)N2CC[C@@]3(C2)CCCN(CCO)C3=O)c1C ZINC000091475346 612862492 /nfs/dbraw/zinc/86/24/92/612862492.db2.gz NHGMXCFZGSJTCU-GOSISDBHSA-N 0 0 348.447 0.793 10 0 ECAERN C[C@H]1COCCN1c1ccc(C(=O)N2CCS(=O)(=O)CC2)cn1 ZINC000329837063 755228678 /nfs/dbraw/zinc/22/86/78/755228678.db2.gz IDCIBHBNYMVVGX-LBPRGKRZSA-N 0 0 339.417 0.177 10 0 ECAERN O=C(N[C@@H]1CCc2ncnn2C1)N1CCSC2(CCOCC2)C1 ZINC000185420827 295798626 /nfs/dbraw/zinc/79/86/26/295798626.db2.gz KHMBCNSIPDFZIJ-GFCCVEGCSA-N 0 0 337.449 0.901 10 0 ECAERN O[C@@H](COc1ccccc1)CN1CCN(C[C@H](O)C(F)(F)F)CC1 ZINC000181692745 234287865 /nfs/dbraw/zinc/28/78/65/234287865.db2.gz HJGPMDDBICRFST-HIFRSBDPSA-N 0 0 348.365 0.967 10 0 ECAERN Cc1cnn([C@H]2CCCN(C(=O)NCC(=O)N3CCOCC3)C2)c1 ZINC000181849774 234349351 /nfs/dbraw/zinc/34/93/51/234349351.db2.gz UUXOJLKAIRTDEJ-AWEZNQCLSA-N 0 0 335.408 0.397 10 0 ECAERN CS(=O)(=O)CCNS(=O)(=O)c1c(N)cc(Cl)cc1Cl ZINC000037750212 202034087 /nfs/dbraw/zinc/03/40/87/202034087.db2.gz WERZXXMGFCWGRH-UHFFFAOYSA-N 0 0 347.245 0.899 10 0 ECAERN NC(=O)C[C@@H](N)C(=O)Nc1cccc(I)c1 ZINC000037481894 213149683 /nfs/dbraw/zinc/14/96/83/213149683.db2.gz YGLXZAQELCLCQK-MRVPVSSYSA-N 0 0 333.129 0.432 10 0 ECAERN O=C(Nc1cc(F)c(F)cc1F)C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000187976857 236366083 /nfs/dbraw/zinc/36/60/83/236366083.db2.gz LHRPXEBBWMSWHN-UHFFFAOYSA-N 0 0 341.289 0.779 10 0 ECAERN CCS(=O)(=O)CCOc1ccc(S(N)(=O)=O)cc1Cl ZINC000038085885 202391952 /nfs/dbraw/zinc/39/19/52/202391952.db2.gz LCGRGKVUBGNLOS-UHFFFAOYSA-N 0 0 327.811 0.801 10 0 ECAERN C[C@@H](CNC(=O)CCNC(=O)c1ccsc1)N1CCOCC1 ZINC000029959132 201065895 /nfs/dbraw/zinc/06/58/95/201065895.db2.gz UEFXPBBIMGJGQN-LBPRGKRZSA-N 0 0 325.434 0.705 10 0 ECAERN O=C(CCNC(=O)Cc1ccccc1)N[C@H]1CCc2ncnn2C1 ZINC000112651400 201066415 /nfs/dbraw/zinc/06/64/15/201066415.db2.gz XOGAJQHSHZNLHG-AWEZNQCLSA-N 0 0 327.388 0.458 10 0 ECAERN CN(CCCNC(=O)N[C@@H]1CCc2ncnn2C1)CC(F)(F)F ZINC000112744083 201067034 /nfs/dbraw/zinc/06/70/34/201067034.db2.gz OQARGZFFBSRICF-SNVBAGLBSA-N 0 0 334.346 0.776 10 0 ECAERN Cn1cc([C@H]2CCN(C(=O)CNC(=O)NCc3ccco3)C2)cn1 ZINC000116228924 201075243 /nfs/dbraw/zinc/07/52/43/201075243.db2.gz PEQUVYFDYNLRJW-LBPRGKRZSA-N 0 0 331.376 0.828 10 0 ECAERN C[C@@H]1[C@@H](O)CCCN1C(=O)Cn1cc(Br)ccc1=O ZINC000296249889 201351729 /nfs/dbraw/zinc/35/17/29/201351729.db2.gz XNHZSBINKVOHLR-KOLCDFICSA-N 0 0 329.194 0.983 10 0 ECAERN CN(C)C(=O)c1ccc(NCc2cnc3nc(N)nc(N)c3n2)cc1 ZINC000013283538 201364102 /nfs/dbraw/zinc/36/41/02/201364102.db2.gz XQAVCQAHWYHBBJ-UHFFFAOYSA-N 0 0 338.375 0.898 10 0 ECAERN C[C@H]([NH2+]Cn1cnc2c1c(=O)n(C)c(=O)n2C)[C@@H](O)c1ccccc1 ZINC000005115879 201360161 /nfs/dbraw/zinc/36/01/61/201360161.db2.gz BBHFULLSJOFRNO-SMDDNHRTSA-N 0 0 343.387 0.103 10 0 ECAERN Nc1ncc(Br)cc1S(=O)(=O)NC[C@@H]1CCCO1 ZINC000050635343 202633814 /nfs/dbraw/zinc/63/38/14/202633814.db2.gz YAQQUIRUXBKDAE-QMMMGPOBSA-N 0 0 336.211 0.884 10 0 ECAERN Cc1cc(N2CCC[C@H](NC(=O)Nc3ccncn3)C2=O)n(C)n1 ZINC000194194157 240474012 /nfs/dbraw/zinc/47/40/12/240474012.db2.gz STCUWPMBPLUFMI-NSHDSACASA-N 0 0 329.364 0.836 10 0 ECAERN CN1C(=O)C[C@H](C(=O)NC[C@@H]2CN(C)CCO2)[C@H]1c1ccc(F)cc1 ZINC000245607173 243132951 /nfs/dbraw/zinc/13/29/51/243132951.db2.gz ALUPSAPQTSNNTB-HLLBOEOZSA-N 0 0 349.406 0.792 10 0 ECAERN O=C(Cc1ccccc1)N[C@@H]1CS(=O)(=O)C[C@H]1N1CCCCC1 ZINC000069438499 203000168 /nfs/dbraw/zinc/00/01/68/203000168.db2.gz RHCVILQFXHCHEA-HZPDHXFCSA-N 0 0 336.457 0.997 10 0 ECAERN O=S(=O)(NCCCn1cccn1)c1cnn(-c2ccccn2)c1 ZINC000072238909 203184643 /nfs/dbraw/zinc/18/46/43/203184643.db2.gz QEHJEQMBEGKYLZ-UHFFFAOYSA-N 0 0 332.389 0.832 10 0 ECAERN O=S(=O)(N[C@@H]1CCN(c2ncnc3c2CCC3)C1)c1cccnc1 ZINC000075876920 203325846 /nfs/dbraw/zinc/32/58/46/203325846.db2.gz DLAVJRSPTVODOM-GFCCVEGCSA-N 0 0 345.428 0.918 10 0 ECAERN O=C(CSCC(=O)N[C@@H]1CCSC1=O)N[C@@H]1CCSC1=O ZINC000077292154 203378297 /nfs/dbraw/zinc/37/82/97/203378297.db2.gz ZDLGRWLIZGRLAD-HTQZYQBOSA-N 0 0 348.471 0.016 10 0 in-vitro ECAERN C[C@H]1C[C@H]1NC(=O)C(=O)Nc1cc(Br)c(=O)n(C)c1 ZINC000091219169 203627594 /nfs/dbraw/zinc/62/75/94/203627594.db2.gz FFAZNNBECIDBTA-IMTBSYHQSA-N 0 0 328.166 0.611 10 0 ECAERN NS(=O)(=O)c1cc(OC2CC2)cc(I)n1 ZINC000095734565 203767143 /nfs/dbraw/zinc/76/71/43/203767143.db2.gz CJDKBTHXAULJKJ-UHFFFAOYSA-N 0 0 340.142 0.875 10 0 ECAERN Cc1cc(C(=O)N2C[C@@H](NS(C)(=O)=O)[C@H]3OCCC[C@H]3C2)no1 ZINC000096088989 203830105 /nfs/dbraw/zinc/83/01/05/203830105.db2.gz CWDHOLRDNRTYLO-UHTWSYAYSA-N 0 0 343.405 0.152 10 0 ECAERN C[C@@H](Oc1ccccc1)C(=O)N1CCO[C@H](C[N@H+](C)CC(=O)[O-])C1 ZINC000263012975 245296661 /nfs/dbraw/zinc/29/66/61/245296661.db2.gz YVDOJPRSEZHAQA-UKRRQHHQSA-N 0 0 336.388 0.698 10 0 ECAERN C[C@@H](CNC(=O)NCC(=O)N1CCc2ccccc21)N1CCOCC1 ZINC000101980957 204028486 /nfs/dbraw/zinc/02/84/86/204028486.db2.gz XVNHIIZSDOWLEI-AWEZNQCLSA-N 0 0 346.431 0.596 10 0 ECAERN Nc1ncc(Br)cc1S(=O)(=O)N[C@@H]1CCCOC1 ZINC000103962218 204090164 /nfs/dbraw/zinc/09/01/64/204090164.db2.gz USTBWSWCZKVLEX-MRVPVSSYSA-N 0 0 336.211 0.884 10 0 ECAERN COCCN1CCN(CC(=O)NC(=O)NCc2ccco2)C[C@H]1C ZINC000105831682 204167489 /nfs/dbraw/zinc/16/74/89/204167489.db2.gz VNNUMTOWSLHGMG-CYBMUJFWSA-N 0 0 338.408 0.258 10 0 ECAERN CCc1nn(C)c(Cl)c1CN1CCN(C(=O)CNC(C)=O)CC1 ZINC000105875284 204174971 /nfs/dbraw/zinc/17/49/71/204174971.db2.gz PHYTVWJRNLEETJ-UHFFFAOYSA-N 0 0 341.843 0.416 10 0 ECAERN O=C1c2ccccc2C(=O)N1CCN1CCO[C@@H](Cn2cccn2)C1 ZINC000105888760 204176649 /nfs/dbraw/zinc/17/66/49/204176649.db2.gz YSYBFIYIABLZKB-CQSZACIVSA-N 0 0 340.383 0.880 10 0 ECAERN O=C(CN1CCO[C@@H](Cn2cccn2)C1)NC(=O)NCc1ccco1 ZINC000105888262 204176778 /nfs/dbraw/zinc/17/67/78/204176778.db2.gz JAZFUZYLDGMGSH-CQSZACIVSA-N 0 0 347.375 0.203 10 0 ECAERN CCS(=O)(=O)c1ccccc1C(=O)NC[C@H](C)N1CCOCC1 ZINC000105995020 204181775 /nfs/dbraw/zinc/18/17/75/204181775.db2.gz MHRNODWBCRSGCD-ZDUSSCGKSA-N 0 0 340.445 0.931 10 0 ECAERN C[C@H](NC(=O)c1ccoc1)C(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000111083205 204335267 /nfs/dbraw/zinc/33/52/67/204335267.db2.gz RPNIMRCSINKFDO-JSGCOSHPSA-N 0 0 332.360 0.522 10 0 ECAERN NC(=O)c1cccc(CNC(=O)N2CCO[C@H](Cn3cccn3)C2)c1 ZINC000111819979 204375333 /nfs/dbraw/zinc/37/53/33/204375333.db2.gz GIHRRZZJSYFRGT-HNNXBMFYSA-N 0 0 343.387 0.593 10 0 ECAERN C[C@@H]1CN(C(=O)c2cccc3c2oc(=O)n3C)C[C@H]1N1CCOCC1 ZINC000125079422 204993372 /nfs/dbraw/zinc/99/33/72/204993372.db2.gz IZSQRVJORXMZSZ-IUODEOHRSA-N 0 0 345.399 0.924 10 0 ECAERN COCCN1CCN(C(=O)C(=O)Nc2ccc(Cl)nc2)C[C@H]1C ZINC000126224900 205046590 /nfs/dbraw/zinc/04/65/90/205046590.db2.gz BXLUCTMCUAXAIQ-LLVKDONJSA-N 0 0 340.811 0.853 10 0 ECAERN COC(=O)c1cccc(CCNC(=O)N[C@H]2CCc3ncnn3C2)c1 ZINC000127651494 205110470 /nfs/dbraw/zinc/11/04/70/205110470.db2.gz VYUWPNSYKVMNTA-AWEZNQCLSA-N 0 0 343.387 0.921 10 0 ECAERN O=C(CCNS(=O)(=O)c1ccccc1)N[C@@H]1CCCC[C@@H]1O ZINC000130509984 205243397 /nfs/dbraw/zinc/24/33/97/205243397.db2.gz UJHDTQNFWWUIQT-KGLIPLIRSA-N 0 0 326.418 0.775 10 0 ECAERN COC(=O)CCCc1nc(CN2CCO[C@@H](Cn3cccn3)C2)no1 ZINC000111229312 220117394 /nfs/dbraw/zinc/11/73/94/220117394.db2.gz SQQBCBWZVJPEOH-CYBMUJFWSA-N 0 0 349.391 0.663 10 0 ECAERN O=C(NC[C@H](O)CN1CCOCC1)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000132510388 205328920 /nfs/dbraw/zinc/32/89/20/205328920.db2.gz FPNMGGIOCMBXTG-MJBXVCDLSA-N 0 0 340.370 0.878 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)c2cccc(-n3ccnn3)c2)CC1 ZINC000132001495 205310738 /nfs/dbraw/zinc/31/07/38/205310738.db2.gz BWQMIEZNMQVODF-MRXNPFEDSA-N 0 0 329.404 0.796 10 0 ECAERN COCCN(C)S(=O)(=O)N1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000111339589 220141391 /nfs/dbraw/zinc/14/13/91/220141391.db2.gz BCQRMVDLEJCKPF-LBPRGKRZSA-N 0 0 332.426 0.456 10 0 ECAERN COc1ccccc1CN1CCN(C[C@H](O)CN2CCCC2=O)CC1 ZINC000111689713 220180967 /nfs/dbraw/zinc/18/09/67/220180967.db2.gz DYNUNEAADYPZST-KRWDZBQOSA-N 0 0 347.459 0.796 10 0 ECAERN CC(C)(C)OC[C@H](O)CN1CCc2cc(S(N)(=O)=O)ccc21 ZINC000157373386 206132273 /nfs/dbraw/zinc/13/22/73/206132273.db2.gz VAGHCBGXUBHDDM-GFCCVEGCSA-N 0 0 328.434 0.873 10 0 ECAERN CCC1(CC)CN(CC(=O)N2CCC[C@@H](C(N)=O)C2)CC[S@@]1=O ZINC000249053419 206333272 /nfs/dbraw/zinc/33/32/72/206333272.db2.gz XCVOKXQPEHEOMN-ZLOXQWCVSA-N 0 0 343.493 0.333 10 0 ECAERN O=C(NC[C@H](O)CN1CCOCC1)Nc1ccc(-n2cccn2)cc1 ZINC000092225820 218126632 /nfs/dbraw/zinc/12/66/32/218126632.db2.gz CUGNKFPMDKGVKW-INIZCTEOSA-N 0 0 345.403 0.687 10 0 ECAERN CCN(C(=O)CN1CCOC[C@@H]1C(N)=O)[C@H](C)c1ccc(F)cc1 ZINC000092229019 218127745 /nfs/dbraw/zinc/12/77/45/218127745.db2.gz HLCXJNDZQBNVHX-IUODEOHRSA-N 0 0 337.395 0.921 10 0 ECAERN O=C(CCCNC(=O)N1CCO[C@H](Cn2cccn2)C1)NC1CC1 ZINC000171901596 206765416 /nfs/dbraw/zinc/76/54/16/206765416.db2.gz APGMVMPVIWBDLA-AWEZNQCLSA-N 0 0 335.408 0.352 10 0 ECAERN Cc1ncc(CN2CCN(C(=O)[C@@H]3CSC(=O)N3)CC2)s1 ZINC000174774011 207056656 /nfs/dbraw/zinc/05/66/56/207056656.db2.gz OTXUZWQQWWJINT-NSHDSACASA-N 0 0 326.447 0.921 10 0 ECAERN O=C(CNC(=O)c1ccc(F)c(F)c1)N[C@H]1CCCn2ncnc21 ZINC000175822528 207163194 /nfs/dbraw/zinc/16/31/94/207163194.db2.gz VZKFWNZRDUHYRR-LBPRGKRZSA-N 0 0 335.314 0.937 10 0 ECAERN Cc1cc(N2CCC[C@@H](NC(=O)Nc3ccn(C)n3)C2=O)n(C)n1 ZINC000175829480 207164163 /nfs/dbraw/zinc/16/41/63/207164163.db2.gz ZMIRJBSPUMEMRC-LLVKDONJSA-N 0 0 331.380 0.779 10 0 ECAERN CN(C)C(=O)c1cc(NC(=O)NC[C@H]2CN(C)CCO2)ccc1F ZINC000176031070 207184475 /nfs/dbraw/zinc/18/44/75/207184475.db2.gz QFQCTBQZTLJKAF-LBPRGKRZSA-N 0 0 338.383 0.980 10 0 ECAERN CNS(=O)(=O)c1cc(C(=O)N2C[C@H](C)O[C@@H](C)C2)ccc1F ZINC000177392306 207330224 /nfs/dbraw/zinc/33/02/24/207330224.db2.gz YSJGCUWQMGSJDH-UWVGGRQHSA-N 0 0 330.381 0.983 10 0 ECAERN Cc1cc(NC(=O)C(=O)N2CCN3CCCC[C@@H]3C2)ccc1C(N)=O ZINC000177396157 207332098 /nfs/dbraw/zinc/33/20/98/207332098.db2.gz MJIOQPREQOGRQM-CQSZACIVSA-N 0 0 344.415 0.729 10 0 ECAERN Cc1ccc2c(c1)C(=O)N(CC(=O)N[C@@H]1CCCn3ncnc31)C2=O ZINC000177586517 207359260 /nfs/dbraw/zinc/35/92/60/207359260.db2.gz RYOSGLKLFXBCQU-CYBMUJFWSA-N 0 0 339.355 0.834 10 0 ECAERN O=S(=O)(Cc1nc(-c2ccc(Cl)cc2)no1)C[C@@H](O)CO ZINC000177670415 207371528 /nfs/dbraw/zinc/37/15/28/207371528.db2.gz MLWMUYROVWFMHX-JTQLQIEISA-N 0 0 332.765 0.658 10 0 ECAERN COCC(=O)NC1CN(c2cc(C(F)(F)F)nc3ncnn32)C1 ZINC000185919868 533064222 /nfs/dbraw/zinc/06/42/22/533064222.db2.gz UJLHYQOIPUOGTE-UHFFFAOYSA-N 0 0 330.270 0.094 10 0 ECAERN O=C(NC[C@@H](O)CN1CCOCC1)c1cccc(OC(F)F)c1 ZINC000154109229 224204170 /nfs/dbraw/zinc/20/41/70/224204170.db2.gz HASDOUMLMWBLCH-GFCCVEGCSA-N 0 0 330.331 0.711 10 0 ECAERN CCOCCN1CCN(S(=O)(=O)C[C@@H]2CCCCO2)C[C@@H]1C ZINC000117368726 221057623 /nfs/dbraw/zinc/05/76/23/221057623.db2.gz CKBXQVCQRRULEY-GJZGRUSLSA-N 0 0 334.482 0.928 10 0 ECAERN CCCC[C@H](NC(N)=O)C(=O)N1CCN(CCOCC)[C@H](C)C1 ZINC000117275943 221041370 /nfs/dbraw/zinc/04/13/70/221041370.db2.gz WDRRMHSYQOCXDE-KGLIPLIRSA-N 0 0 328.457 0.783 10 0 ECAERN CCOCCN1CCN(C(=O)CS(=O)(=O)C2CCCC2)C[C@H]1C ZINC000117277430 221041608 /nfs/dbraw/zinc/04/16/08/221041608.db2.gz NWTPVCWRBLBXCE-CQSZACIVSA-N 0 0 346.493 0.913 10 0 ECAERN CCOCCN1CCN(C(=O)CS(=O)(=O)C2CCCC2)C[C@@H]1C ZINC000117277427 221042605 /nfs/dbraw/zinc/04/26/05/221042605.db2.gz NWTPVCWRBLBXCE-AWEZNQCLSA-N 0 0 346.493 0.913 10 0 ECAERN Cc1cc(NC(=O)C(=O)N2CCC(c3ccnn3C)CC2)n(C)n1 ZINC000119429059 221317846 /nfs/dbraw/zinc/31/78/46/221317846.db2.gz MJVJRQCMKGXHKM-UHFFFAOYSA-N 0 0 330.392 0.807 10 0 ECAERN NC(=O)c1cccc(NC(=O)C(=O)N2CCC(c3cc[nH]n3)CC2)c1 ZINC000119506376 221335689 /nfs/dbraw/zinc/33/56/89/221335689.db2.gz KEKYVXHZQSLKRA-UHFFFAOYSA-N 0 0 341.371 0.853 10 0 ECAERN COc1cc(N2C[C@@H]3OC[C@@H](CNC(=O)c4ccco4)[C@@H]3C2)ncn1 ZINC000247919948 257673972 /nfs/dbraw/zinc/67/39/72/257673972.db2.gz XIHJIUNSUFZJEY-DYEKYZERSA-N 0 0 344.371 0.959 10 0 ECAERN CSCc1noc(CCC(=O)NC[C@@H](C)N2CCOCC2)n1 ZINC000124281203 296653180 /nfs/dbraw/zinc/65/31/80/296653180.db2.gz NFLUMWSZVHMHJW-LLVKDONJSA-N 0 0 328.438 0.702 10 0 ECAERN CN(C)C(=O)CNC(=O)C(=O)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000154450011 296696595 /nfs/dbraw/zinc/69/65/95/296696595.db2.gz KAHGDPRPGPQRMN-LLVKDONJSA-N 0 0 345.321 0.481 10 0 ECAERN CNC(=O)C(C)(C)CNC(=O)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000129464173 164686563 /nfs/dbraw/zinc/68/65/63/164686563.db2.gz ZVYGHCTZCFIQHC-NSHDSACASA-N 0 0 336.440 0.788 10 0 ECAERN C[C@@H]1CC[C@@H](C(=O)NCC(=O)Nc2ccc(-n3cncn3)cc2)O1 ZINC000155490199 164774071 /nfs/dbraw/zinc/77/40/71/164774071.db2.gz OJNXPMMVQSXBRC-RISCZKNCSA-N 0 0 329.360 0.890 10 0 ECAERN CC(=O)NC1(C(=O)N2CCO[C@H](c3nnc(C)[nH]3)C2)CCCCC1 ZINC000173526867 164857557 /nfs/dbraw/zinc/85/75/57/164857557.db2.gz LMNCESIHUUCUFR-ZDUSSCGKSA-N 0 0 335.408 0.852 10 0 ECAERN COCCCOCC(=O)N1CCCN(Cc2noc(C)n2)CC1 ZINC000180634842 164937476 /nfs/dbraw/zinc/93/74/76/164937476.db2.gz XKIJXYFAWSDVAW-UHFFFAOYSA-N 0 0 326.397 0.465 10 0 ECAERN CC(=O)c1cccc(OC[C@@H](O)CN2CC(NC(=O)C3CC3)C2)c1 ZINC000187982798 164993137 /nfs/dbraw/zinc/99/31/37/164993137.db2.gz AWUXORCMVYBYPG-INIZCTEOSA-N 0 0 332.400 0.839 10 0 ECAERN C[C@H]1C(=O)NCCCN1C(=O)c1ccc(=O)n(Cc2ccccc2)n1 ZINC000188913501 165003059 /nfs/dbraw/zinc/00/30/59/165003059.db2.gz RNNKKVIGTMPESM-ZDUSSCGKSA-N 0 0 340.383 0.642 10 0 ECAERN CNC(=O)c1cncc(/C=C/C(=O)N2CC(NC(=O)C3CCC3)C2)c1 ZINC000189221140 165007161 /nfs/dbraw/zinc/00/71/61/165007161.db2.gz IUOJACVIUPCWJY-AATRIKPKSA-N 0 0 342.399 0.582 10 0 ECAERN C[C@@H]1C(=O)NCCCN1CC(=O)N1CCN(c2ccccc2F)CC1 ZINC000189326573 165008789 /nfs/dbraw/zinc/00/87/89/165008789.db2.gz RTEMRCLFDQMIKJ-CQSZACIVSA-N 0 0 348.422 0.685 10 0 ECAERN O=C(NC1CN(C(=O)[C@H]2CN(Cc3ccccc3)CCO2)C1)C1CC1 ZINC000189425347 165009766 /nfs/dbraw/zinc/00/97/66/165009766.db2.gz ZLZSOQURBDJYFU-QGZVFWFLSA-N 0 0 343.427 0.624 10 0 ECAERN CC(C)CCn1ccc(NC(=O)C(=O)N2CCCNC(=O)[C@@H]2C)n1 ZINC000190665262 165024607 /nfs/dbraw/zinc/02/46/07/165024607.db2.gz XZMLZDYNOURPQZ-LBPRGKRZSA-N 0 0 335.408 0.605 10 0 ECAERN C[C@@H]1C(=O)NCCCN1C(=O)NCCNC(=O)c1ccc(F)cc1 ZINC000191380933 165030619 /nfs/dbraw/zinc/03/06/19/165030619.db2.gz RYXQIKDLYPKZFH-LLVKDONJSA-N 0 0 336.367 0.476 10 0 ECAERN C[C@H]1C(=O)NCCCN1C(=O)NCc1cccnc1-n1ccnc1 ZINC000191186231 165031229 /nfs/dbraw/zinc/03/12/29/165031229.db2.gz OIBUBUIMFUSYNH-LBPRGKRZSA-N 0 0 328.376 0.687 10 0 ECAERN CC(=O)NC1CN(C(=O)[C@@H]2CCCN(C(=O)NC3CCCC3)C2)C1 ZINC000191486809 165033182 /nfs/dbraw/zinc/03/31/82/165033182.db2.gz CFLATTPBCSNBIW-CYBMUJFWSA-N 0 0 336.436 0.698 10 0 ECAERN O=C(NC[C@H](O)CN1CCOCC1)c1cc(-c2cccs2)on1 ZINC000192707442 165047007 /nfs/dbraw/zinc/04/70/07/165047007.db2.gz LJIBQVVRZLIGTR-NSHDSACASA-N 0 0 337.401 0.826 10 0 ECAERN C[C@@H](NC(=O)C(=O)Nc1cnn(CC(N)=O)c1)c1ccc(Cl)cc1 ZINC000193518602 165055638 /nfs/dbraw/zinc/05/56/38/165055638.db2.gz KVSUXGALLNHJPV-SECBINFHSA-N 0 0 349.778 0.838 10 0 ECAERN CN1CCO[C@H](CNC(=O)CCCNC(=O)c2ccsc2)C1 ZINC000194629482 165069209 /nfs/dbraw/zinc/06/92/09/165069209.db2.gz WKYLIBJAMZUDDX-CYBMUJFWSA-N 0 0 325.434 0.705 10 0 ECAERN O=C(Nc1ccc(N2CCOCC2)cn1)N[C@@H]1CCc2ncnn2C1 ZINC000194896756 165072056 /nfs/dbraw/zinc/07/20/56/165072056.db2.gz GWBDWHBLZRZMJK-GFCCVEGCSA-N 0 0 343.391 0.646 10 0 ECAERN C[C@@H](NC(N)=O)C(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000195399486 165081211 /nfs/dbraw/zinc/08/12/11/165081211.db2.gz LUGAZBGMELDTDF-CYBMUJFWSA-N 0 0 333.436 0.604 10 0 ECAERN CCc1csc([C@H]2CCCN(CC(=O)N3CCNC(=O)C3)C2)n1 ZINC000195380422 165081971 /nfs/dbraw/zinc/08/19/71/165081971.db2.gz SNHHHQPPQRRFCM-LBPRGKRZSA-N 0 0 336.461 0.843 10 0 ECAERN CC(C)n1nnnc1CS(=O)(=O)[C@H](C)C(=O)N1CCCCCC1 ZINC000195429440 165082087 /nfs/dbraw/zinc/08/20/87/165082087.db2.gz MARBLUKGQNKDAB-GFCCVEGCSA-N 0 0 343.453 0.960 10 0 ECAERN O=C(CN1CC[C@@H](CNc2ccccn2)C1)NCC(=O)N1CCCC1 ZINC000195515875 165084215 /nfs/dbraw/zinc/08/42/15/165084215.db2.gz UISCRLXUESGGAO-HNNXBMFYSA-N 0 0 345.447 0.554 10 0 ECAERN NC(=O)[C@@H]1COCCN1C[C@@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000245748189 165114462 /nfs/dbraw/zinc/11/44/62/165114462.db2.gz GWJLPOFVTBXFPJ-STQMWFEESA-N 0 0 332.322 0.795 10 0 ECAERN CC[C@H]1CN(C(=O)C(=O)Nc2ccsc2)CCN1C[C@H](C)O ZINC000246293066 165128660 /nfs/dbraw/zinc/12/86/60/165128660.db2.gz WFLYOTYILUPIHD-AAEUAGOBSA-N 0 0 325.434 0.990 10 0 ECAERN C[C@H]1CN(CC(=O)Nc2ccccc2C(N)=O)C[C@H]1N1CCOCC1 ZINC000246555167 165138315 /nfs/dbraw/zinc/13/83/15/165138315.db2.gz UJHHLJBCIMYJJP-XJKSGUPXSA-N 0 0 346.431 0.377 10 0 ECAERN NC(=O)[C@@H]1COCCN1C[C@H](O)COc1cccc2ccccc21 ZINC000246772730 165142014 /nfs/dbraw/zinc/14/20/14/165142014.db2.gz PXODWKKPRAULDC-HOCLYGCPSA-N 0 0 330.384 0.766 10 0 ECAERN CN(CC(=O)N1CCC[C@@H]1C[C@@H](O)c1ccco1)S(C)(=O)=O ZINC000246799971 165143234 /nfs/dbraw/zinc/14/32/34/165143234.db2.gz YCDCVKLFRIOCON-VXGBXAGGSA-N 0 0 330.406 0.586 10 0 ECAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NC[C@H]1CCC[C@@H](O)C1 ZINC000247460884 165163143 /nfs/dbraw/zinc/16/31/43/165163143.db2.gz QZYMTTIMIIFULZ-BFHYXJOUSA-N 0 0 332.466 0.858 10 0 ECAERN CS(=O)(=O)c1ccc(S(=O)(=O)N2CCN3CCC[C@H]3C2)cc1 ZINC000247600655 165165646 /nfs/dbraw/zinc/16/56/46/165165646.db2.gz UKCVUHVVVUBATG-LBPRGKRZSA-N 0 0 344.458 0.559 10 0 ECAERN NC(=O)[C@@H]1COCCN1C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000248455802 165175107 /nfs/dbraw/zinc/17/51/07/165175107.db2.gz LDOVAJUWVDAEAK-PWSUYJOCSA-N 0 0 348.321 0.631 10 0 ECAERN CC[C@H]1CN(S(=O)(=O)c2ccc(N)cc2)CCN1C[C@H](C)O ZINC000248634363 165180952 /nfs/dbraw/zinc/18/09/52/165180952.db2.gz PWJZWLUIQYZTFN-JSGCOSHPSA-N 0 0 327.450 0.735 10 0 ECAERN CCN1CN(S(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)CC1=O ZINC000249474253 165199598 /nfs/dbraw/zinc/19/95/98/165199598.db2.gz JBMFKYRFAGCWGV-NHYWBVRUSA-N 0 0 328.434 0.833 10 0 ECAERN CC(C)(C)c1ccc(OC[C@H](O)CN2CCOC[C@H]2C(N)=O)cc1 ZINC000252802549 165208835 /nfs/dbraw/zinc/20/88/35/165208835.db2.gz PHOUECNYOVPIQB-ZBFHGGJFSA-N 0 0 336.432 0.910 10 0 ECAERN [NH3+]C1(C(=O)N2CCN(C(=O)Cc3ccccc3)CC2)CCOCC1 ZINC000261864213 165254053 /nfs/dbraw/zinc/25/40/53/165254053.db2.gz NMNDWITZBGTJPG-UHFFFAOYSA-N 0 0 331.416 0.408 10 0 ECAERN COC(=O)CCNC(=O)c1ccc(NC(=O)C2([NH3+])CCOCC2)cc1 ZINC000261938029 165265920 /nfs/dbraw/zinc/26/59/20/165265920.db2.gz XCQFMQQOQLPCAE-UHFFFAOYSA-N 0 0 349.387 0.426 10 0 ECAERN Cc1cc(F)ccc1-n1cc([O-])c(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)n1 ZINC000262277474 165319787 /nfs/dbraw/zinc/31/97/87/165319787.db2.gz NMMLHTDXHIUQQP-GXFFZTMASA-N 0 0 334.351 0.336 10 0 ECAERN C[C@H]1OCCN[C@@H]1C(=O)N[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000262307949 165327733 /nfs/dbraw/zinc/32/77/33/165327733.db2.gz QFWYTPUMEOJYNZ-QKCSRTOESA-N 0 0 337.807 0.938 10 0 ECAERN Cc1ccc(N)cc1C(=O)N1CCN(c2ccc3nncn3n2)CC1 ZINC000262397048 165343512 /nfs/dbraw/zinc/34/35/12/165343512.db2.gz QNELPPXIAQKBLV-UHFFFAOYSA-N 0 0 337.387 0.977 10 0 ECAERN C[N@@H+](CC(=O)[O-])C[C@@H]1CN(C(=O)c2ccc(F)c(F)c2F)CCO1 ZINC000262879937 165397955 /nfs/dbraw/zinc/39/79/55/165397955.db2.gz FGLCFHQNCCKXOQ-SECBINFHSA-N 0 0 346.305 0.961 10 0 ECAERN O=C(Cn1nc2ccccn2c1=O)N1CC[C@H](Oc2cccnc2)C1 ZINC000123314851 222254774 /nfs/dbraw/zinc/25/47/74/222254774.db2.gz JDVCYKBIJAWZOV-AWEZNQCLSA-N 0 0 339.355 0.571 10 0 ECAERN CCN(CC)C(=O)[C@@H]1CCCN1C(=O)NCCCC(=O)N(C)C ZINC000174319418 263150253 /nfs/dbraw/zinc/15/02/53/263150253.db2.gz CZELWLFNCUTMPU-ZDUSSCGKSA-N 0 0 326.441 0.897 10 0 ECAERN Cc1nc(C[C@@H]2CCCN(C(=O)C(=O)Nc3cnn(C)c3C)C2)no1 ZINC000176661488 263153284 /nfs/dbraw/zinc/15/32/84/263153284.db2.gz GWIKASMUBQBVRS-LBPRGKRZSA-N 0 0 346.391 0.840 10 0 ECAERN Cn1cnn(CN2C[C@@H]3CC[C@@H](NC(=O)OC(C)(C)C)[C@H]3C2)c1=O ZINC000184804693 263159022 /nfs/dbraw/zinc/15/90/22/263159022.db2.gz MZIJUHHVVZEHBA-RWMBFGLXSA-N 0 0 337.424 0.774 10 0 ECAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)N1C[C@@H](C)O[C@@H](CO)C1)CC2 ZINC000189715051 263163767 /nfs/dbraw/zinc/16/37/67/263163767.db2.gz VZKUQILNMACLMP-JHJVBQTASA-N 0 0 337.424 0.508 10 0 ECAERN C[C@H]1COCC[C@@H]1C(=O)N1CCN(c2ccc3nncn3n2)CC1 ZINC000192593466 263165884 /nfs/dbraw/zinc/16/58/84/263165884.db2.gz FYYHBDNUFLWHAD-STQMWFEESA-N 0 0 330.392 0.446 10 0 ECAERN Cc1nn(C)c(C)c1CN1CCN(CCN2CCO[C@@H](C)C2)CC1 ZINC000192735159 263166077 /nfs/dbraw/zinc/16/60/77/263166077.db2.gz VLVZGVUQHSYLKI-HNNXBMFYSA-N 0 0 335.496 0.875 10 0 ECAERN CC(=O)N[C@@H]1CCCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000193890825 263167905 /nfs/dbraw/zinc/16/79/05/263167905.db2.gz HDZWCJYBTQXZAE-SNVBAGLBSA-N 0 0 338.389 0.145 10 0 ECAERN CCN(CC(=O)Nc1ccc2c(c1)OCCO2)Cc1noc(CN)n1 ZINC000261874751 276314534 /nfs/dbraw/zinc/31/45/34/276314534.db2.gz XVVYBJBADCKYCS-UHFFFAOYSA-N 0 0 347.375 0.760 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)c2ncn(-c3ccccc3)n2)CC1 ZINC000156189702 276596803 /nfs/dbraw/zinc/59/68/03/276596803.db2.gz DRCOOKLZQBOITR-HNNXBMFYSA-N 0 0 329.404 0.796 10 0 ECAERN CC(=O)O[C@H]1O[C@H](C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000086861019 278222027 /nfs/dbraw/zinc/22/20/27/278222027.db2.gz QZQMGQQOGJIDKJ-FDKQIQMJSA-N 0 0 332.305 0.089 10 0 ECAERN CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)C[NH3+])C(=O)[O-] ZINC000002522615 279188488 /nfs/dbraw/zinc/18/84/88/279188488.db2.gz JPVGHHQGKPQYIL-KBPBESRZSA-N 0 0 335.404 0.288 10 0 ECAERN O=C(NC[C@H](O)CN1CCOCC1)c1ccn(-c2ccc(F)cc2)n1 ZINC000121109678 279857614 /nfs/dbraw/zinc/85/76/14/279857614.db2.gz DZJFXYJIBCMQDS-HNNXBMFYSA-N 0 0 348.378 0.434 10 0 ECAERN O=C([C@H]1CC(F)(F)CN1)N1CCn2c(nnc2C(F)(F)F)C1 ZINC000263015842 280124732 /nfs/dbraw/zinc/12/47/32/280124732.db2.gz QIVYFTPWLPBZRO-ZCFIWIBFSA-N 0 0 325.241 0.636 10 0 ECAERN NC(=O)N[C@H](CC(=O)N1CC(NC(=O)C2CC2)C1)c1cccs1 ZINC000189498928 437605391 /nfs/dbraw/zinc/60/53/91/437605391.db2.gz FTAHAXCIRLHFMO-LLVKDONJSA-N 0 0 336.417 0.585 10 0 ECAERN C[C@H](CNC(=O)C(=O)Nc1cccnc1Cl)N1CCOCC1 ZINC000091193842 289635901 /nfs/dbraw/zinc/63/59/01/289635901.db2.gz XCBWUXNTNIPRBB-SNVBAGLBSA-N 0 0 326.784 0.510 10 0 ECAERN Cn1cnn(CC(=O)N2C[C@H](c3ccccc3)OCC2(C)C)c1=O ZINC000179475768 294486914 /nfs/dbraw/zinc/48/69/14/294486914.db2.gz QWLJZSPOQSEASE-CQSZACIVSA-N 0 0 330.388 0.961 10 0 ECAERN COc1ccc([C@@H]2[C@H](S(=O)(=O)N3CCOCC3)CON2C)cc1 ZINC000096280630 295232586 /nfs/dbraw/zinc/23/25/86/295232586.db2.gz VKIZWRWZLPHQSY-HUUCEWRRSA-N 0 0 342.417 0.644 10 0 ECAERN O=C1[C@@H](N2CCN(c3cncc4ncnn43)CC2)CCN1C1CC1 ZINC000332994057 297097838 /nfs/dbraw/zinc/09/78/38/297097838.db2.gz BTUMUXZSBQLOCF-ZDUSSCGKSA-N 0 0 327.392 0.010 10 0 ECAERN CN(CC(=O)Nc1ccnc2ccncc21)[C@H]1CCS(=O)(=O)C1 ZINC000333028848 297102070 /nfs/dbraw/zinc/10/20/70/297102070.db2.gz LPPFQCSTOABMRP-NSHDSACASA-N 0 0 334.401 0.109 10 0 ECAERN CC(=O)NC[C@H]1CCn2ncc(C(=O)N3CCO[C@H]4CCC[C@H]43)c2C1 ZINC000333288576 297121245 /nfs/dbraw/zinc/12/12/45/297121245.db2.gz QYFNNBICRDEGIM-LXZKKBNFSA-N 0 0 346.431 0.975 10 0 ECAERN CCc1nn(C)cc1CNC(=O)N1CCS(=O)(=O)CC[C@@H]1C ZINC000333490412 297137985 /nfs/dbraw/zinc/13/79/85/297137985.db2.gz UMAGHWBQNSKWGV-NSHDSACASA-N 0 0 328.438 0.701 10 0 ECAERN O=C(CN1C[C@@H](F)C[C@H]1CO)N1CCN(c2ccccc2F)CC1 ZINC000346405866 298274988 /nfs/dbraw/zinc/27/49/88/298274988.db2.gz MHRWMEUTBAVHNJ-KBPBESRZSA-N 0 0 339.386 0.879 10 0 ECAERN C[C@H]1CN([C@H](CNC(=O)C(=O)NC2CC2)c2cccs2)CCO1 ZINC000246835146 300292783 /nfs/dbraw/zinc/29/27/83/300292783.db2.gz LCPFBHVLKOTWIL-WCQYABFASA-N 0 0 337.445 0.905 10 0 ECAERN O=C1N[C@@]2(C(=O)Nc3c2c(Cl)ccc3Cl)N2CCOC[C@@H]12 ZINC000195268982 304683058 /nfs/dbraw/zinc/68/30/58/304683058.db2.gz XVGLVENWZXIJEK-ISVAXAHUSA-N 0 0 328.155 0.929 10 0 ECAERN O=C1CC[C@H](Nc2cncc(-n3cccn3)n2)[C@@H]([C@H]2CCCO2)N1 ZINC000368179765 300653103 /nfs/dbraw/zinc/65/31/03/300653103.db2.gz XKORMFAUHVNOTO-OZVIIMIRSA-N 0 0 328.376 0.900 10 0 ECAERN C[C@H](NS(=O)(=O)c1c[nH]cn1)c1ccc(S(C)(=O)=O)cc1 ZINC000070416140 435986040 /nfs/dbraw/zinc/98/60/40/435986040.db2.gz SUDCGOVRNCQJAH-VIFPVBQESA-N 0 0 329.403 0.853 10 0 ECAERN CC(=O)OC[C@H]1O[C@@H](n2cnc3c2ncnc3N)[C@@H]2OC(C)(C)O[C@@H]12 ZINC000012958474 436059710 /nfs/dbraw/zinc/05/97/10/436059710.db2.gz AGPPMENETHBDES-JMLLCIOISA-N 0 0 349.347 0.389 10 0 ECAERN CN(C)c1ncccc1O[C@@H]1CCN(C(=O)CCn2ccnn2)C1 ZINC000372538133 301008294 /nfs/dbraw/zinc/00/82/94/301008294.db2.gz KYQABBMFYHVFIK-CYBMUJFWSA-N 0 0 330.392 0.809 10 0 ECAERN CC(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000372976303 301039307 /nfs/dbraw/zinc/03/93/07/301039307.db2.gz GFISKDQWCTVTDC-ILXRZTDVSA-N 0 0 344.477 0.379 10 0 ECAERN CC[C@@]1(C)CN(C(=O)[C@H]2C[C@H](OC)CN2S(C)(=O)=O)CCO1 ZINC000377046161 301316011 /nfs/dbraw/zinc/31/60/11/301316011.db2.gz LTRQZBHXPUJMKF-SCRDCRAPSA-N 0 0 334.438 0.063 10 0 ECAERN Cc1cc(N2CCC[C@@H](NC(=O)Nc3cccnn3)C2=O)n(C)n1 ZINC000178256668 301335577 /nfs/dbraw/zinc/33/55/77/301335577.db2.gz JQMUCXXPJYGQKZ-LLVKDONJSA-N 0 0 329.364 0.836 10 0 ECAERN CC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2ccc3n[nH]cc3c2)C1 ZINC000076253958 436198019 /nfs/dbraw/zinc/19/80/19/436198019.db2.gz ANOSGZLWSOTORT-CYBMUJFWSA-N 0 0 329.360 0.629 10 0 ECAERN C[C@H]1CC[C@@H](O)CN1C(=O)Cn1cc(Br)ccc1=O ZINC000399203279 301455905 /nfs/dbraw/zinc/45/59/05/301455905.db2.gz DAPKSPRNTOYKCG-GXSJLCMTSA-N 0 0 329.194 0.983 10 0 ECAERN O=C(Nc1ccc(-n2ccnc2)nc1)C(=O)N[C@H]1CCCC[C@@H]1CO ZINC000078992701 436286721 /nfs/dbraw/zinc/28/67/21/436286721.db2.gz WFVAHSNYDOEYLF-OCCSQVGLSA-N 0 0 343.387 0.873 10 0 ECAERN C[C@H](CNC(=O)NCc1ccc([S@](C)=O)cc1)N1CCOCC1 ZINC000080071924 436313137 /nfs/dbraw/zinc/31/31/37/436313137.db2.gz CCSNBRYOCBQHAD-JCQPUDPBSA-N 0 0 339.461 0.944 10 0 ECAERN CNC(=O)c1cccnc1NCCNc1cc(C)nc2ncnn21 ZINC000080971952 436334626 /nfs/dbraw/zinc/33/46/26/436334626.db2.gz HMERYOVRVQNGRO-UHFFFAOYSA-N 0 0 326.364 0.711 10 0 ECAERN Cc1ccc([C@H](C)NC(=O)N(C)C[C@H](O)CN2CCOCC2)o1 ZINC000083695271 436374738 /nfs/dbraw/zinc/37/47/38/436374738.db2.gz IQTBSHFLVLQUHT-KBPBESRZSA-N 0 0 325.409 0.984 10 0 ECAERN O=C(c1cccc(Br)c1)N1CC[C@@]2(C1)NC(=O)NC2=O ZINC000083856343 436376802 /nfs/dbraw/zinc/37/68/02/436376802.db2.gz AQCRLZHIRNFMGX-ZDUSSCGKSA-N 0 0 338.161 0.873 10 0 ECAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)NC[C@H](O)COCC(C)C ZINC000083750076 436377699 /nfs/dbraw/zinc/37/76/99/436377699.db2.gz GSMKBUDLVWJJLW-QWHCGFSZSA-N 0 0 325.413 0.754 10 0 ECAERN CN1C(=O)CC[C@H](C(=O)N2CCN(CCO)CC2)[C@H]1c1ccccc1 ZINC000087083881 436396505 /nfs/dbraw/zinc/39/65/05/436396505.db2.gz SSHTVRHNSQOIOC-FUHWJXTLSA-N 0 0 345.443 0.733 10 0 ECAERN CCC[C@@H](C)NC(=O)[C@@H](C)S(=O)(=O)Cc1nnc(CC)n1C ZINC000091049505 436439216 /nfs/dbraw/zinc/43/92/16/436439216.db2.gz LVODXZVZEAMUHH-GHMZBOCLSA-N 0 0 330.454 0.986 10 0 ECAERN NC(=O)CN1CCC(C(=O)NCCCn2ncc3ccccc32)CC1 ZINC000091745630 436458539 /nfs/dbraw/zinc/45/85/39/436458539.db2.gz KXJPTQUGWDCWCF-UHFFFAOYSA-N 0 0 343.431 0.740 10 0 ECAERN C[C@@H](NC(=O)CN1CCC(C(N)=O)CC1)[C@@H](O)c1ccc(O)cc1 ZINC000091807283 436459850 /nfs/dbraw/zinc/45/98/50/436459850.db2.gz UIXQRBHZOMMYRJ-BDJLRTHQSA-N 0 0 335.404 0.128 10 0 ECAERN CCS(=O)(=O)N1C[C@@H]2C[N@H+](Cc3cncs3)C[C@]2(C(=O)[O-])C1 ZINC000096180572 436519551 /nfs/dbraw/zinc/51/95/51/436519551.db2.gz OLNYQNBICDSJFI-GWCFXTLKSA-N 0 0 345.446 0.311 10 0 ECAERN CCOc1ccc(-c2noc(CN3CCOC[C@@H]3C(N)=O)n2)cc1 ZINC000092231349 436469010 /nfs/dbraw/zinc/46/90/10/436469010.db2.gz BOZRZMSQPZZFNW-CYBMUJFWSA-N 0 0 332.360 0.821 10 0 ECAERN CC(=O)c1cnc(N2CCC3(CC2)C(=O)N(C)C(=O)N3C)nc1C ZINC000095390182 436493757 /nfs/dbraw/zinc/49/37/57/436493757.db2.gz PRSLHTBEVHUJJI-UHFFFAOYSA-N 0 0 331.376 0.850 10 0 ECAERN NC(=O)Cn1ccnc1[C@@H]1CCCN(C(=O)CCCc2cn[nH]c2)C1 ZINC000095504517 436497835 /nfs/dbraw/zinc/49/78/35/436497835.db2.gz DBEADHQZMHLRNA-CQSZACIVSA-N 0 0 344.419 0.820 10 0 ECAERN CN(C)C(=O)[C@H]1CCCN1C(=O)CCNC(=O)Cc1ccccc1 ZINC000054814925 436559526 /nfs/dbraw/zinc/55/95/26/436559526.db2.gz ZVYOYQSJDLHGCQ-OAHLLOKOSA-N 0 0 331.416 0.815 10 0 ECAERN CCOc1ccnc(N2CCN(CC(=O)NCc3ccco3)CC2)n1 ZINC000105868376 436583865 /nfs/dbraw/zinc/58/38/65/436583865.db2.gz FEYBXBKLYXOCOD-UHFFFAOYSA-N 0 0 345.403 0.907 10 0 ECAERN O=C(CN1CCN(C[C@@H](O)c2ccccc2)CC1)NC[C@@H]1CCCO1 ZINC000105911787 436587372 /nfs/dbraw/zinc/58/73/72/436587372.db2.gz RKNHIMPVUKSZCX-ZWKOTPCHSA-N 0 0 347.459 0.633 10 0 ECAERN CN(CC(=O)N[C@@H]1CCc2ncnn2C1)S(=O)(=O)c1ccccc1 ZINC000112649058 436633177 /nfs/dbraw/zinc/63/31/77/436633177.db2.gz OCWVYSZTXNKLPC-GFCCVEGCSA-N 0 0 349.416 0.030 10 0 ECAERN O=C(CCNC(=O)N[C@H]1CCc2ncnn2C1)Nc1ccccc1 ZINC000113629399 436638766 /nfs/dbraw/zinc/63/87/66/436638766.db2.gz SYZOTNOBVHEJPE-ZDUSSCGKSA-N 0 0 328.376 0.921 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)NCCNC(=O)C(C)(C)C)CC2 ZINC000114951023 436644951 /nfs/dbraw/zinc/64/49/51/436644951.db2.gz SLYWQADQENRVKI-NSHDSACASA-N 0 0 336.440 0.617 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)N[C@H](C)CN1CCOCC1)CC2 ZINC000114928254 436645279 /nfs/dbraw/zinc/64/52/79/436645279.db2.gz UADWCKZSJFAPST-OLZOCXBDSA-N 0 0 336.440 0.175 10 0 ECAERN CCS(=O)(=O)c1ccccc1C(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000116797701 436652198 /nfs/dbraw/zinc/65/21/98/436652198.db2.gz VXMWHOWQZAZKFU-ZDUSSCGKSA-N 0 0 340.445 0.883 10 0 ECAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)c1cc(C(N)=O)cn1C)CC2 ZINC000136871358 436653625 /nfs/dbraw/zinc/65/36/25/436653625.db2.gz QNFWMPJQOQDGQY-LLVKDONJSA-N 0 0 330.392 0.584 10 0 ECAERN O=C(NC[C@@H](O)CN1CCOCC1)c1cc(-c2ccncc2)on1 ZINC000193914650 436653997 /nfs/dbraw/zinc/65/39/97/436653997.db2.gz DHXRFHWWMFEYMR-CYBMUJFWSA-N 0 0 332.360 0.160 10 0 ECAERN NS(=O)(=O)c1cnc(NC[C@H]2CN(C3CC3)CCO2)c(Cl)c1 ZINC000116884219 436654319 /nfs/dbraw/zinc/65/43/19/436654319.db2.gz JCTQEAJZOKXCOG-JTQLQIEISA-N 0 0 346.840 0.658 10 0 ECAERN CC(C)(C)OC(=O)N1CC(O)(c2ccnc(S(C)(=O)=O)n2)C1 ZINC000116327189 436649992 /nfs/dbraw/zinc/64/99/92/436649992.db2.gz MUIAADXICWBOMI-UHFFFAOYSA-N 0 0 329.378 0.318 10 0 ECAERN O=c1[nH]c2cncnc2n1[C@@H]1CCN(S(=O)(=O)c2cccnc2)C1 ZINC000065256714 436654774 /nfs/dbraw/zinc/65/47/74/436654774.db2.gz ARDQOHDKWPAGHM-SNVBAGLBSA-N 0 0 346.372 0.150 10 0 ECAERN CCn1cnnc1-c1ccccc1NC(=O)C(=O)N1CCC[C@H]1CO ZINC000120936520 436702607 /nfs/dbraw/zinc/70/26/07/436702607.db2.gz WKILHXJDKLHPMQ-LBPRGKRZSA-N 0 0 343.387 0.887 10 0 ECAERN CN1CCO[C@@H](CNC(=O)C(=O)Nc2ccc3ncccc3c2)C1 ZINC000118115423 436661812 /nfs/dbraw/zinc/66/18/12/436661812.db2.gz BBFCPXKLZXFTFL-AWEZNQCLSA-N 0 0 328.372 0.620 10 0 ECAERN CCn1cc(C2CCN(C(=O)C(=O)Nc3ccn(C)n3)CC2)cn1 ZINC000119267175 436665201 /nfs/dbraw/zinc/66/52/01/436665201.db2.gz IYQDFOSXEIKWCC-UHFFFAOYSA-N 0 0 330.392 0.981 10 0 ECAERN CCCCn1c(N)c(N(C)Cc2nnc(C3CC3)n2C)c(=O)[nH]c1=O ZINC000195046338 436677839 /nfs/dbraw/zinc/67/78/39/436677839.db2.gz GSDRMLHUARMWKV-UHFFFAOYSA-N 0 0 347.423 0.561 10 0 ECAERN O=C1C[C@@H](N2CCN(c3nccs3)CC2)C(=O)N1CC(F)(F)F ZINC000195234255 436684075 /nfs/dbraw/zinc/68/40/75/436684075.db2.gz QJVCWXQRTWZMEN-SECBINFHSA-N 0 0 348.350 0.955 10 0 ECAERN O=C(Cn1cnc(-c2ccccc2)n1)N1CC[C@H](N2CCOCC2)C1 ZINC000120311949 436685053 /nfs/dbraw/zinc/68/50/53/436685053.db2.gz PBHOGANMWMKVLD-INIZCTEOSA-N 0 0 341.415 0.878 10 0 ECAERN CN(C(=O)c1ccc(=O)n(C)c1)[C@H]1CCCN(c2cccnn2)C1 ZINC000122129705 436731931 /nfs/dbraw/zinc/73/19/31/436731931.db2.gz BPNWDNTXQONYET-AWEZNQCLSA-N 0 0 327.388 0.916 10 0 ECAERN COc1c(CNCCNS(=O)(=O)c2cccs2)c(C)nn1C ZINC000122210406 436733321 /nfs/dbraw/zinc/73/33/21/436733321.db2.gz FUTNNAMJPAKZMA-UHFFFAOYSA-N 0 0 344.462 0.867 10 0 ECAERN O=C(NC[C@H](O)CN1CCOCC1)c1c(Cl)nc2ccccn21 ZINC000122599217 436734888 /nfs/dbraw/zinc/73/48/88/436734888.db2.gz HSQIVGGPYQKUSY-NSHDSACASA-N 0 0 338.795 0.411 10 0 ECAERN CC(C)C(=O)NCCCNC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000152690591 436738717 /nfs/dbraw/zinc/73/87/17/436738717.db2.gz MGBQPTAROPMAAV-CQSZACIVSA-N 0 0 326.441 0.265 10 0 ECAERN CNC(=O)COc1cccc(CC(=O)N[C@@H]2CCc3ncnn3C2)c1 ZINC000123219492 436739332 /nfs/dbraw/zinc/73/93/32/436739332.db2.gz WCYIEHGDQYEYLR-CYBMUJFWSA-N 0 0 343.387 0.077 10 0 ECAERN CN(C)[C@@H](Cc1ccccc1)C(=O)NCCOCCS(C)(=O)=O ZINC000153137353 436748631 /nfs/dbraw/zinc/74/86/31/436748631.db2.gz DUTCFABTPWHFBD-HNNXBMFYSA-N 0 0 342.461 0.337 10 0 ECAERN CCc1nccn1[C@@H]1CCCN(C(=O)NCCN2C(=O)CCC2=O)C1 ZINC000153159707 436751199 /nfs/dbraw/zinc/75/11/99/436751199.db2.gz KXHQXZAXFBHTNQ-CYBMUJFWSA-N 0 0 347.419 0.941 10 0 ECAERN C[C@H](NC(=O)NC[C@H]1CN(C)CCO1)c1ccc(-n2ccnn2)cc1 ZINC000124510087 436751759 /nfs/dbraw/zinc/75/17/59/436751759.db2.gz UWYLUIABJHWQOZ-BBRMVZONSA-N 0 0 344.419 0.958 10 0 ECAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)NCCS(C)(=O)=O)CC2 ZINC000153519195 436758956 /nfs/dbraw/zinc/75/89/56/436758956.db2.gz PAWBBLJANBWFSO-SNVBAGLBSA-N 0 0 329.426 0.060 10 0 ECAERN COC(=O)[C@H](C)CS(=O)(=O)N1CCC(c2ccnn2C)CC1 ZINC000152042607 436717989 /nfs/dbraw/zinc/71/79/89/436717989.db2.gz BCAJWEMJWMBPOC-LLVKDONJSA-N 0 0 329.422 0.738 10 0 ECAERN CC[C@H]1CN(C(=O)C(=O)Nc2cccc(C)n2)CCN1C[C@H](C)O ZINC000248716214 436809119 /nfs/dbraw/zinc/80/91/19/436809119.db2.gz BHCZXRCESSGKRI-KBPBESRZSA-N 0 0 334.420 0.632 10 0 ECAERN CCn1cc([C@@H]2CN(C[C@@H](O)COC[C@@H]3CCCO3)CCO2)cn1 ZINC000248714605 436809695 /nfs/dbraw/zinc/80/96/95/436809695.db2.gz JXNSFOKAWZCLDE-IKGGRYGDSA-N 0 0 339.436 0.833 10 0 ECAERN CCCN(C(=O)[C@H](C)N1C[C@H](C)O[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000249333923 436818527 /nfs/dbraw/zinc/81/85/27/436818527.db2.gz QCAPPBYYQJVCJW-ZQDZILKHSA-N 0 0 346.493 0.910 10 0 ECAERN CN(C[C@@H](O)C(F)(F)F)C[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000245986561 436770667 /nfs/dbraw/zinc/77/06/67/436770667.db2.gz HKCQZSZGGKHEAN-JOYOIKCWSA-N 0 0 346.305 0.499 10 0 ECAERN O=C(COc1ccccc1Cl)NC[C@@H](O)CN1CCOCC1 ZINC000154124373 436770945 /nfs/dbraw/zinc/77/09/45/436770945.db2.gz OOUMKNANHSPZNO-GFCCVEGCSA-N 0 0 328.796 0.528 10 0 ECAERN CN1CCO[C@H](CNC(=O)N[C@H]2CCN(c3ncccc3F)C2)C1 ZINC000246058018 436772806 /nfs/dbraw/zinc/77/28/06/436772806.db2.gz DMSWIWLISNUPLG-QWHCGFSZSA-N 0 0 337.399 0.429 10 0 ECAERN CNc1cc(N2CCC[C@H]2CNC(=O)c2cc(OC)no2)ncn1 ZINC000125899638 436778097 /nfs/dbraw/zinc/77/80/97/436778097.db2.gz AEHWPUGXTPVWSF-JTQLQIEISA-N 0 0 332.364 0.914 10 0 ECAERN CCCn1nccc1NC(=O)C(=O)N1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000154541008 436781230 /nfs/dbraw/zinc/78/12/30/436781230.db2.gz HVXQTMBYLFBXQW-QWHCGFSZSA-N 0 0 337.424 0.145 10 0 ECAERN Cc1cnn(CCNC(=O)C(=O)Nc2cccc(-n3ccnn3)c2)c1 ZINC000127038478 436796509 /nfs/dbraw/zinc/79/65/09/436796509.db2.gz NWQFNZZLKCMOCG-UHFFFAOYSA-N 0 0 339.359 0.527 10 0 ECAERN CCCNC(=O)[C@@H]1CCCN(C(=O)NC[C@H](C)N2CCOCC2)C1 ZINC000127237946 436798808 /nfs/dbraw/zinc/79/88/08/436798808.db2.gz MMMQKHJPROUVKK-LSDHHAIUSA-N 0 0 340.468 0.655 10 0 ECAERN CCCn1cc(CN2CCCN(C(=O)[C@@H]3CCNC(=O)C3)CC2)cn1 ZINC000155799667 436802949 /nfs/dbraw/zinc/80/29/49/436802949.db2.gz XIMQKQCWARLJQD-MRXNPFEDSA-N 0 0 347.463 0.854 10 0 ECAERN O[C@H](COC1CCOCC1)C[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000127496523 436803603 /nfs/dbraw/zinc/80/36/03/436803603.db2.gz RFBWHNDPLWDTFF-HNNXBMFYSA-N 0 0 336.436 0.545 10 0 ECAERN CCCn1cc(CN2CCCN(C(=O)[C@H]3CCNC(=O)C3)CC2)cn1 ZINC000155799786 436803915 /nfs/dbraw/zinc/80/39/15/436803915.db2.gz XIMQKQCWARLJQD-INIZCTEOSA-N 0 0 347.463 0.854 10 0 ECAERN CC(C)[C@H](O)CC(=O)N1CCN(CC(=O)NC2CCCCC2)CC1 ZINC000158947262 436851421 /nfs/dbraw/zinc/85/14/21/436851421.db2.gz OVRNFDVTVXTGJV-MRXNPFEDSA-N 0 0 339.480 0.987 10 0 ECAERN CC(=O)N[C@@H]1CN(C(=O)c2ccc(Br)o2)C[C@H]1CO ZINC000257187338 436856510 /nfs/dbraw/zinc/85/65/10/436856510.db2.gz LQECIGXVGWJMID-DTWKUNHWSA-N 0 0 331.166 0.611 10 0 ECAERN C[C@H](CS(C)(=O)=O)NC(=O)N1C[C@H](CO)[C@@H](c2ccsc2)C1 ZINC000251856093 436828882 /nfs/dbraw/zinc/82/88/82/436828882.db2.gz RCRYEGBDLXCNQH-RAIGVLPGSA-N 0 0 346.474 0.899 10 0 ECAERN Cc1c(C(=O)N2C[C@@H](C)O[C@H](C(N)=O)C2)cnn1-c1ccccn1 ZINC000157515400 436829385 /nfs/dbraw/zinc/82/93/85/436829385.db2.gz YDFYEFULTMGHRH-MFKMUULPSA-N 0 0 329.360 0.291 10 0 ECAERN CN1CCN(C(=O)Cn2cc(NC(=O)[C@@H]3CCCCO3)cn2)CC1 ZINC000157653874 436830968 /nfs/dbraw/zinc/83/09/68/436830968.db2.gz CKMCDQDKRFUMGU-AWEZNQCLSA-N 0 0 335.408 0.165 10 0 ECAERN NC(=O)c1ccc(C(=O)N[C@H]2CCCN(c3cccnn3)C2)nc1 ZINC000135267611 436913151 /nfs/dbraw/zinc/91/31/51/436913151.db2.gz FVWPUUSHUZQYHI-LBPRGKRZSA-N 0 0 326.360 0.369 10 0 ECAERN C[C@H]1OCC[C@@H]1S(=O)(=O)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000135672631 436922175 /nfs/dbraw/zinc/92/21/75/436922175.db2.gz YWDSHJNFCGRHSZ-HIFRSBDPSA-N 0 0 342.465 0.435 10 0 ECAERN CC[C@H]1CN(C(=O)C(=O)Nc2ccc(F)nc2)CCN1C[C@@H](C)O ZINC000163476322 436922747 /nfs/dbraw/zinc/92/27/47/436922747.db2.gz SUUDMGNTBKQOHI-YPMHNXCESA-N 0 0 338.383 0.463 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)NCCOC(F)(F)F)C1 ZINC000263350088 436964443 /nfs/dbraw/zinc/96/44/43/436964443.db2.gz HMTZPQNPQOEMFX-UHFFFAOYSA-N 0 0 327.303 0.760 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(Nc2ncnc(-n3cccn3)c2N)C1 ZINC000263537897 436969202 /nfs/dbraw/zinc/96/92/02/436969202.db2.gz ARXFDJLUUXWIBQ-UHFFFAOYSA-N 0 0 331.380 0.594 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)NC[C@]2(O)CCC[C@H]2C)C1 ZINC000263514220 436970024 /nfs/dbraw/zinc/97/00/24/436970024.db2.gz ZUADJNWDYMJWAC-NEQJSVFRSA-N 0 0 327.425 0.774 10 0 ECAERN C[C@@H](C(=O)NCCNC(=O)N(C)C)N1C(=O)c2ccccc2C1=O ZINC000169912226 436944012 /nfs/dbraw/zinc/94/40/12/436944012.db2.gz LDPPTTXQIYNQPW-JTQLQIEISA-N 0 0 332.360 0.059 10 0 ECAERN O=C(CNC(=O)[C@@H]1CNC(=O)C1)Nc1ccc(-n2cccn2)cc1 ZINC000170637068 436947948 /nfs/dbraw/zinc/94/79/48/436947948.db2.gz AKIYOTIBUHMLRF-NSHDSACASA-N 0 0 327.344 0.063 10 0 ECAERN CN1CCO[C@@H](CNC(=O)C(=O)Nc2cccc3cccnc32)C1 ZINC000172308502 437008723 /nfs/dbraw/zinc/00/87/23/437008723.db2.gz HGXMDHSEVBALGX-ZDUSSCGKSA-N 0 0 328.372 0.620 10 0 ECAERN CC(C)C(=O)NCCNC(=O)N(C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000172436625 437014381 /nfs/dbraw/zinc/01/43/81/437014381.db2.gz ZEAHAWIOFOZIEI-CQSZACIVSA-N 0 0 348.451 0.859 10 0 ECAERN CNc1cc(N2CCC[C@@H]2CNC(=O)c2ccn(C)c(=O)c2)ncn1 ZINC000173415311 437047845 /nfs/dbraw/zinc/04/78/45/437047845.db2.gz ITMOHHIXRSSRPD-CYBMUJFWSA-N 0 0 342.403 0.616 10 0 ECAERN CCc1nnc([C@@H]2CN(C(=O)CNC(=O)CC(C)(C)C)CCO2)[nH]1 ZINC000173571087 437057018 /nfs/dbraw/zinc/05/70/18/437057018.db2.gz FBPQOBSESAXPIL-NSHDSACASA-N 0 0 337.424 0.819 10 0 ECAERN Cc1csc(=O)n1CCC(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000173837659 437065869 /nfs/dbraw/zinc/06/58/69/437065869.db2.gz KBXDFHYMUAXPQE-TZMCWYRMSA-N 0 0 339.461 0.787 10 0 ECAERN CN(C)c1ccccc1NC(=O)C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000174009416 437073372 /nfs/dbraw/zinc/07/33/72/437073372.db2.gz GMWPDKHUMHOQRP-AWEZNQCLSA-N 0 0 346.431 0.624 10 0 ECAERN CCNS(=O)(=O)NC[C@H](c1cccs1)N1CCO[C@H](C)C1 ZINC000175224089 437096618 /nfs/dbraw/zinc/09/66/18/437096618.db2.gz OKOXKRVSUGPIOE-VXGBXAGGSA-N 0 0 333.479 0.954 10 0 ECAERN NC(=O)[C@@H]1CN(CC(=O)NCc2cccnc2)C[C@H]1C(F)(F)F ZINC000299746466 437109849 /nfs/dbraw/zinc/10/98/49/437109849.db2.gz XPDJSKYWCCOINH-GHMZBOCLSA-N 0 0 330.310 0.293 10 0 ECAERN CCc1cccnc1C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2CCOC ZINC000299745953 437110519 /nfs/dbraw/zinc/11/05/19/437110519.db2.gz UGKQAHODIJQIIL-KGLIPLIRSA-N 0 0 332.404 0.899 10 0 ECAERN CCNC(=O)C1CCN(c2cnn(C)c(=O)c2Br)CC1 ZINC000301222805 437117434 /nfs/dbraw/zinc/11/74/34/437117434.db2.gz CUCWOIVLTSINRT-UHFFFAOYSA-N 0 0 343.225 0.895 10 0 ECAERN CCOCCNC(=O)CN1CCN(Cc2c(C)nn(C)c2C)CC1 ZINC000175961681 437124449 /nfs/dbraw/zinc/12/44/49/437124449.db2.gz ORTBGWCLWKDWPQ-UHFFFAOYSA-N 0 0 337.468 0.307 10 0 ECAERN C[C@H]1CCCN(c2cc(NC[C@@H](O)CN3CCOCC3)ncn2)C1 ZINC000301712114 437130140 /nfs/dbraw/zinc/13/01/40/437130140.db2.gz FARFWNBBQNLTJP-LSDHHAIUSA-N 0 0 335.452 0.818 10 0 ECAERN COCCn1ccc(NC(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)n1 ZINC000177822303 437200075 /nfs/dbraw/zinc/20/00/75/437200075.db2.gz HMESMOOEIPVYJY-ZIAGYGMSSA-N 0 0 337.424 0.714 10 0 ECAERN CCn1c(C)nnc1CN1CCN(S(=O)(=O)CCCOC)CC1 ZINC000178220715 437209649 /nfs/dbraw/zinc/20/96/49/437209649.db2.gz WOUFQIDHXAXLLV-UHFFFAOYSA-N 0 0 345.469 0.090 10 0 ECAERN CNC(=O)[C@H](NC(=O)NCc1cccnc1-n1cccn1)C(C)C ZINC000178434197 437215098 /nfs/dbraw/zinc/21/50/98/437215098.db2.gz VJSFXJRYHWWCRT-CYBMUJFWSA-N 0 0 330.392 0.837 10 0 ECAERN CCOCCN(C)C(=O)N[C@@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000179515582 437266781 /nfs/dbraw/zinc/26/67/81/437266781.db2.gz FWKBPBFDMZXUJX-CYBMUJFWSA-N 0 0 337.424 0.902 10 0 ECAERN CNC(=O)[C@H](NC(=O)Cn1nnc(-c2ccc(C)cc2)n1)C(C)C ZINC000178691897 437224035 /nfs/dbraw/zinc/22/40/35/437224035.db2.gz ZBNQMOPYTIOOKJ-CQSZACIVSA-N 0 0 330.392 0.535 10 0 ECAERN NC(=O)c1noc([C@@H]2CCCN2Cc2cc(=O)n3ccccc3n2)n1 ZINC000328629049 437242237 /nfs/dbraw/zinc/24/22/37/437242237.db2.gz HVYCXCZAXSKWKP-NSHDSACASA-N 0 0 340.343 0.514 10 0 ECAERN CCNC(=O)c1ccc(N[C@H]2CCCN(c3ncc[nH]c3=O)C2)nn1 ZINC000328622823 437242485 /nfs/dbraw/zinc/24/24/85/437242485.db2.gz IRUYDDYQQKKLDT-NSHDSACASA-N 0 0 343.391 0.803 10 0 ECAERN Cc1cc(NC(=O)CN2C[C@H](O)C[C@@H]2CO)n(-c2ccc(F)cc2)n1 ZINC000179171345 437254007 /nfs/dbraw/zinc/25/40/07/437254007.db2.gz ITWXYVUQUXGSOL-HUUCEWRRSA-N 0 0 348.378 0.686 10 0 ECAERN CCNC(=O)c1cccc(CNC(=O)N2CCC[C@@H]2C(=O)NC)c1 ZINC000179245062 437255828 /nfs/dbraw/zinc/25/58/28/437255828.db2.gz LSTOGSGTKOAYIT-CQSZACIVSA-N 0 0 332.404 0.856 10 0 ECAERN CCc1noc([C@@H](C)N2CCN(C(=O)Nc3ncnn3C)CC2)n1 ZINC000181267278 437315312 /nfs/dbraw/zinc/31/53/12/437315312.db2.gz FGXMXUXKBPWLLZ-SNVBAGLBSA-N 0 0 334.384 0.671 10 0 ECAERN CC(C)c1nnc2n1C[C@H](NC(=O)NCCN1CCOCC1)CC2 ZINC000181351912 437317283 /nfs/dbraw/zinc/31/72/83/437317283.db2.gz IROBESYSCISEFG-CYBMUJFWSA-N 0 0 336.440 0.348 10 0 ECAERN CCc1noc([C@@H](C)N2CCN(C(=O)Cc3ccn(C)n3)CC2)n1 ZINC000181426207 437319664 /nfs/dbraw/zinc/31/96/64/437319664.db2.gz OEGPUZCTRWTUCJ-GFCCVEGCSA-N 0 0 332.408 0.813 10 0 ECAERN Cn1cc(CN2CCC[N@H+](CCCNC(=O)C(F)(F)F)CC2)cn1 ZINC000180616441 437297258 /nfs/dbraw/zinc/29/72/58/437297258.db2.gz ONFBHLISBVKTRP-UHFFFAOYSA-N 0 0 347.385 0.996 10 0 ECAERN C[C@@H]1CN(C(=O)Cc2ccc3c(c2)NC(=O)C3)C[C@@H]1N1CCOCC1 ZINC000182484095 437353669 /nfs/dbraw/zinc/35/36/69/437353669.db2.gz MLGPLENVSBIQPU-DYVFJYSZSA-N 0 0 343.427 0.903 10 0 ECAERN c1cnn(C[C@@H]2CN(Cc3cn(Cc4cccnc4)nn3)CCO2)c1 ZINC000183059646 437373185 /nfs/dbraw/zinc/37/31/85/437373185.db2.gz HNTHRMJIEVCXAC-KRWDZBQOSA-N 0 0 339.403 0.819 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)N[C@H]2CCN(c3ccccn3)C2)CC1 ZINC000182043821 437336693 /nfs/dbraw/zinc/33/66/93/437336693.db2.gz OJWMGSUASPMJQO-JKSUJKDBSA-N 0 0 347.463 0.758 10 0 ECAERN Cc1noc([C@H]2COCCN2C(=O)CNC(=O)c2cccs2)n1 ZINC000182086153 437338239 /nfs/dbraw/zinc/33/82/39/437338239.db2.gz AYOLTQXESZFAPM-SNVBAGLBSA-N 0 0 336.373 0.769 10 0 ECAERN COCCCCS(=O)(=O)N1CCN([C@H](C)c2nc(C)no2)CC1 ZINC000184563696 437405545 /nfs/dbraw/zinc/40/55/45/437405545.db2.gz FSECXZNQUXKCRB-GFCCVEGCSA-N 0 0 346.453 0.813 10 0 ECAERN Cc1cnn(CCNC(=O)c2ccc(S(=O)(=O)N(C)C)nc2)c1 ZINC000184568310 437406097 /nfs/dbraw/zinc/40/60/97/437406097.db2.gz LMFQVTVPCPMYSY-UHFFFAOYSA-N 0 0 337.405 0.267 10 0 ECAERN COCC(=O)NC1CN(C(=O)Cc2cnn(-c3ccccc3)c2)C1 ZINC000185239782 437431559 /nfs/dbraw/zinc/43/15/59/437431559.db2.gz PUGPWXSCQHAFSV-UHFFFAOYSA-N 0 0 328.372 0.388 10 0 ECAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)c1ccc2nnn(C)c2c1 ZINC000184941457 437418686 /nfs/dbraw/zinc/41/86/86/437418686.db2.gz ZCNZGVLHXUNMBR-LBPRGKRZSA-N 0 0 341.375 0.971 10 0 ECAERN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN1C[C@H](O)C[C@@H]1CO ZINC000185151412 437427663 /nfs/dbraw/zinc/42/76/63/437427663.db2.gz BQIGNOVPAVQCQU-HZPDHXFCSA-N 0 0 344.415 0.855 10 0 ECAERN CCn1cc(Br)cc1C(=O)N1CC(NC(=O)COC)C1 ZINC000185249949 437431984 /nfs/dbraw/zinc/43/19/84/437431984.db2.gz INUIIAMBXQXHNS-UHFFFAOYSA-N 0 0 344.209 0.858 10 0 ECAERN C[C@H](NC(N)=O)C(=O)NC[C@@H](c1cccs1)N1CCO[C@H](C)C1 ZINC000186603399 437478211 /nfs/dbraw/zinc/47/82/11/437478211.db2.gz QKRXPFGKVCUHAC-WOPDTQHZSA-N 0 0 340.449 0.683 10 0 ECAERN C[C@@H](NC(=O)c1ccco1)C(=O)N[C@H](CO)Cc1ccc(O)cc1 ZINC000185378939 437437040 /nfs/dbraw/zinc/43/70/40/437437040.db2.gz DDKUHAZKXUMVLA-YPMHNXCESA-N 0 0 332.356 0.823 10 0 ECAERN CCO[C@H]1C[C@H](NC(=O)c2cc(C(N)=O)cn2C)C12CCOCC2 ZINC000187075509 437492994 /nfs/dbraw/zinc/49/29/94/437492994.db2.gz FWAJEZPNGARQFT-KBPBESRZSA-N 0 0 335.404 0.828 10 0 ECAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CCN(Cc2cccc(C)c2)CC1 ZINC000188449872 437550163 /nfs/dbraw/zinc/55/01/63/437550163.db2.gz TULIVOKTWLPWTO-QZTJIDSGSA-N 0 0 345.443 0.621 10 0 ECAERN COCC(=O)NC1CN(C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)C1 ZINC000188471333 437552021 /nfs/dbraw/zinc/55/20/21/437552021.db2.gz YQLHKDOWNPQVQE-HNNXBMFYSA-N 0 0 348.447 0.316 10 0 ECAERN C[C@H](c1nnnn1C)N1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000189213251 437587582 /nfs/dbraw/zinc/58/75/82/437587582.db2.gz AYOZQIUZPWUOPS-CABCVRRESA-N 0 0 346.435 0.329 10 0 ECAERN CCCc1cnc(NC(=O)C(=O)NC[C@@H]2CN(C)CCO2)s1 ZINC000190494495 437626735 /nfs/dbraw/zinc/62/67/35/437626735.db2.gz UFAHVJNZGLCGNY-SNVBAGLBSA-N 0 0 326.422 0.481 10 0 ECAERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1ccnn1[C@@H](C)C1CC1 ZINC000192052935 437663937 /nfs/dbraw/zinc/66/39/37/437663937.db2.gz UTAYSBMKBLPETH-JQWIXIFHSA-N 0 0 333.392 0.530 10 0 ECAERN CNC(=O)[C@H](NC(=O)C(=O)Nc1ccnn1[C@H](C)C1CC1)C(C)C ZINC000192057237 437664782 /nfs/dbraw/zinc/66/47/82/437664782.db2.gz CFQZBMWSSOTWMX-ZWNOBZJWSA-N 0 0 335.408 0.679 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)CC1 ZINC000365378720 437905472 /nfs/dbraw/zinc/90/54/72/437905472.db2.gz HSYOCMXFIMMCFY-ZENOOKHLSA-N 0 0 341.477 0.356 10 0 ECAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CCN([C@H](C)C(F)(F)F)CC1 ZINC000373005180 438123475 /nfs/dbraw/zinc/12/34/75/438123475.db2.gz DOAWBCGNFFQGIH-ADEWGFFLSA-N 0 0 337.342 0.063 10 0 ECAERN CN1CCO[C@H](C(=O)N2C[C@H](O)C[C@H]2c2ccc(F)c(F)c2)C1 ZINC000374259681 438199759 /nfs/dbraw/zinc/19/97/59/438199759.db2.gz QCOYCALRHGVTQN-UGFHNGPFSA-N 0 0 326.343 0.930 10 0 ECAERN CN1CCO[C@H](C(=O)N2C[C@@H](O)C[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000374259680 438200482 /nfs/dbraw/zinc/20/04/82/438200482.db2.gz QCOYCALRHGVTQN-GLQYFDAESA-N 0 0 326.343 0.930 10 0 ECAERN COC(C)(C)CNC(=O)N1CC[C@H](Nc2ccc3nccn3n2)C1 ZINC000435136938 438347165 /nfs/dbraw/zinc/34/71/65/438347165.db2.gz AFZJSXWWHZYRKS-LBPRGKRZSA-N 0 0 332.408 1.350 10 0 ECAERN CCN1C(=O)CC[C@H](C(=O)N2CC[C@](C)(O)C2)[C@H]1c1cnn(C)c1 ZINC000370260183 438565773 /nfs/dbraw/zinc/56/57/73/438565773.db2.gz GIIKFEBGJOFQAA-LXZKKBNFSA-N 0 0 334.420 0.703 10 0 ECAERN CCn1nccc1S(=O)(=O)N1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000583616369 439485917 /nfs/dbraw/zinc/48/59/17/439485917.db2.gz JTADKURSSWFFPC-XQQFMLRXSA-N 0 0 329.422 0.454 10 0 ECAERN Cc1nn(C)c(C)c1S(=O)(=O)N1CCOC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000583616374 439486926 /nfs/dbraw/zinc/48/69/26/439486926.db2.gz KOGCWXRSYHMSGH-MCIONIFRSA-N 0 0 343.449 0.587 10 0 ECAERN CC(=O)N1C[C@@H](NC(=O)CN2CCCC2=O)CC[C@H]1C(F)(F)F ZINC000583619977 439488544 /nfs/dbraw/zinc/48/85/44/439488544.db2.gz DFSQQQGRPPIVJD-QWRGUYRKSA-N 0 0 335.326 0.667 10 0 ECAERN CNS(=O)(=O)C[C@H]1CC[C@H](N(C)c2ncnc3nc[nH]c32)CC1 ZINC000584601503 439603514 /nfs/dbraw/zinc/60/35/14/439603514.db2.gz UXILTNCWMACSJY-XYPYZODXSA-N 0 0 338.437 0.897 10 0 ECAERN NC(=O)c1ccccc1[C@H]1c2ccccc2CCN1S(N)(=O)=O ZINC000616681101 439820829 /nfs/dbraw/zinc/82/08/29/439820829.db2.gz UWJANQOJZCBKCI-OAHLLOKOSA-N 0 0 331.397 0.937 10 0 ECAERN O=C(Cc1ccc2c(c1)OCCO2)N[C@H]1C[C@@H](O)[C@@H]1n1cccn1 ZINC000616766806 439821836 /nfs/dbraw/zinc/82/18/36/439821836.db2.gz QBWRZJBNFIAMFZ-OGHNNQOOSA-N 0 0 329.356 0.688 10 0 ECAERN COCc1ccccc1CNC(=O)C[C@@H]1CS(=O)(=O)CCN1C ZINC000644292782 440507151 /nfs/dbraw/zinc/50/71/51/440507151.db2.gz XQSNLIRBIDAPTD-OAHLLOKOSA-N 0 0 340.445 0.568 10 0 ECAERN O=C(CN1CCCC[C@@H](O)C1=O)NCc1cccc2c1OCCCO2 ZINC000644400265 440569500 /nfs/dbraw/zinc/56/95/00/440569500.db2.gz GWJKCDSURPRKJP-CQSZACIVSA-N 0 0 348.399 0.838 10 0 ECAERN Cn1c(NC(=O)C[C@H]2CS(=O)(=O)CCN2C)nc2cccnc21 ZINC000644432572 440588263 /nfs/dbraw/zinc/58/82/63/440588263.db2.gz NGSVDFMCVKTSRZ-JTQLQIEISA-N 0 0 337.405 0.026 10 0 ECAERN COc1cccc(COCC(=O)N2C[C@@H](O)[C@H](n3ccnn3)C2)c1 ZINC000630015104 440833197 /nfs/dbraw/zinc/83/31/97/440833197.db2.gz BAGOTYXCKJCXBA-HUUCEWRRSA-N 0 0 332.360 0.248 10 0 ECAERN CC(=O)NCCCNC(=O)[C@H]1CC[C@@H](C(=O)[O-])N1Cc1ccccc1 ZINC000630660814 440935135 /nfs/dbraw/zinc/93/51/35/440935135.db2.gz ZABLCLNSBTUTNH-CVEARBPZSA-N 0 0 347.415 0.747 10 0 ECAERN O=C1[C@H](N2CCC(S(=O)(=O)N3CCCC3)CC2)CCN1C1CC1 ZINC000328653326 320725312 /nfs/dbraw/zinc/72/53/12/320725312.db2.gz LAYVFKMVURZEPD-OAHLLOKOSA-N 0 0 341.477 0.640 10 0 ECAERN CC(=O)N1CCC[C@](O)(C(=O)N2CCC[C@@H](Cc3nccn3C)C2)C1 ZINC000328970025 320745566 /nfs/dbraw/zinc/74/55/66/320745566.db2.gz AZHLWEXOAWUXHS-MAUKXSAKSA-N 0 0 348.447 0.575 10 0 ECAERN C[C@@H]1CCN(S(=O)(=O)C2CN(C(=O)C3CCCC3)C2)C[C@H]1O ZINC000329330443 320766887 /nfs/dbraw/zinc/76/68/87/320766887.db2.gz YZVVZSQVYXMOEC-BXUZGUMPSA-N 0 0 330.450 0.420 10 0 ECAERN C[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000329764786 320788438 /nfs/dbraw/zinc/78/84/38/320788438.db2.gz WDMZMWIBWZHEKY-VIRABCJISA-N 0 0 338.429 0.583 10 0 ECAERN CCCN1CCCN(C(=O)Cc2nc3nc(C)cc(C)n3n2)CC1=O ZINC000329932782 320796363 /nfs/dbraw/zinc/79/63/63/320796363.db2.gz IVMGPYKCPAVOQS-UHFFFAOYSA-N 0 0 344.419 0.755 10 0 ECAERN Cc1cc(Cl)ccc1OCC(=O)NC[C@@H](O)CN1CCOCC1 ZINC000154114977 533789706 /nfs/dbraw/zinc/78/97/06/533789706.db2.gz LJQADXAZSQKWSY-CQSZACIVSA-N 0 0 342.823 0.837 10 0 ECAERN C[C@H](NC(=O)N1CC(NC(=O)C2CC2)C1)c1nnc2ccccn21 ZINC000190080040 534210369 /nfs/dbraw/zinc/21/03/69/534210369.db2.gz LYRTXLVVMMJEJI-JTQLQIEISA-N 0 0 328.376 0.710 10 0 ECAERN Cn1nnc2cc(C(=O)N[C@H]3CCCN(c4cccnn4)C3)cnc21 ZINC000183635006 534346894 /nfs/dbraw/zinc/34/68/94/534346894.db2.gz QHIKDAZOCITIJD-LBPRGKRZSA-N 0 0 338.375 0.552 10 0 ECAERN NC(=O)[C@H]1COCCN1C[C@H](O)c1ccc(F)c(Br)c1 ZINC000187394448 534463633 /nfs/dbraw/zinc/46/36/33/534463633.db2.gz ROCJTNLSYHMZTH-NEPJUHHUSA-N 0 0 347.184 0.808 10 0 ECAERN NC(=O)c1cccc(CCNC(=O)N2CC(NC(=O)C3CC3)C2)c1 ZINC000186808030 534492222 /nfs/dbraw/zinc/49/22/22/534492222.db2.gz LZSFTMSQGGZPSP-UHFFFAOYSA-N 0 0 330.388 0.248 10 0 ECAERN O=C(CN1C[C@@H](O)C[C@@H]1CO)NCCc1ccc(OC(F)F)cc1 ZINC000185178970 534555034 /nfs/dbraw/zinc/55/50/34/534555034.db2.gz UFNVRVHHSKVFCD-OLZOCXBDSA-N 0 0 344.358 0.374 10 0 ECAERN O=S(=O)(N[C@H]1CCCn2ncnc21)c1cnn(CC(F)F)c1 ZINC000187407651 534871295 /nfs/dbraw/zinc/87/12/95/534871295.db2.gz WRQJSNGNQHPTSH-VIFPVBQESA-N 0 0 332.336 0.553 10 0 ECAERN CC(=O)NC1CN(C(=O)NCCNC(=O)c2ccccc2Cl)C1 ZINC000189765901 526707459 /nfs/dbraw/zinc/70/74/59/526707459.db2.gz LMNVPNYNGBLJKX-UHFFFAOYSA-N 0 0 338.795 0.600 10 0 ECAERN CC(=O)NC1CN(C(=O)NCCc2cnn(-c3ccccc3)c2)C1 ZINC000189744664 526707593 /nfs/dbraw/zinc/70/75/93/526707593.db2.gz LCLDODNVUQNMJJ-UHFFFAOYSA-N 0 0 327.388 0.945 10 0 ECAERN CC(C)c1nnc2n1C[C@H](NC(=O)NCC(=O)NCC1CC1)CC2 ZINC000181690936 528479218 /nfs/dbraw/zinc/47/92/18/528479218.db2.gz BANOYOLCFWCRCM-GFCCVEGCSA-N 0 0 334.424 0.542 10 0 ECAERN CC1(C)NC(=O)CC[C@@H]1NC(=O)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000374688599 534967513 /nfs/dbraw/zinc/96/75/13/534967513.db2.gz ZBPJBWOCMBQPCQ-OLZOCXBDSA-N 0 0 346.435 0.802 10 0 ECAERN CC1=C[C@@]23C(=O)[C@@H](C=C(CO)[C@@H](O)[C@]2(O)[C@H]1O)[C@H]1[C@H](C[C@H]3C)C1(C)C ZINC000263590230 535245428 /nfs/dbraw/zinc/24/54/28/535245428.db2.gz VEBVPUXQAPLADL-GAUHSUIFSA-N 0 0 348.439 0.815 10 0 ECAERN CN(C[C@H]1CN(C)CCO1)S(=O)(=O)c1ccc2c(c1)OCO2 ZINC000074774990 545684616 /nfs/dbraw/zinc/68/46/16/545684616.db2.gz WESAGHNYOBIHDJ-LLVKDONJSA-N 0 0 328.390 0.366 10 0 ECAERN CN(C[C@H]1CN(C)CCO1)S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000074774994 545686613 /nfs/dbraw/zinc/68/66/13/545686613.db2.gz FUNNZDUWYMPEID-GFCCVEGCSA-N 0 0 342.417 0.409 10 0 ECAERN CNc1cc(C(=O)N2CCC[C@]3(CCC(=O)N(CCO)C3)C2)ccn1 ZINC000082138293 545706024 /nfs/dbraw/zinc/70/60/24/545706024.db2.gz FSNOCRUXKPMXAV-GOSISDBHSA-N 0 0 346.431 0.960 10 0 ECAERN Cn1ccnc1C1CCN(C(=O)C2CCN(CC(N)=O)CC2)CC1 ZINC000097346789 545729487 /nfs/dbraw/zinc/72/94/87/545729487.db2.gz CDGUIDXZLSXLDW-UHFFFAOYSA-N 0 0 333.436 0.323 10 0 ECAERN CS(=O)(=O)C[C@H](NC[C@@H](O)CN1CCCC1=O)c1ccccc1 ZINC000181783602 545887331 /nfs/dbraw/zinc/88/73/31/545887331.db2.gz BECHXHAVYNWJIN-CABCVRRESA-N 0 0 340.445 0.345 10 0 ECAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1C[C@H](c2ccccc2)OC[C@@H]1C ZINC000188876880 545903142 /nfs/dbraw/zinc/90/31/42/545903142.db2.gz OSRJZOBJDOHZED-WBQNTZJQSA-N 0 0 332.400 0.957 10 0 ECAERN CN1CCN(Cc2ccccc2)[C@H](CNC(=O)[C@H]2CNC(=O)C2)C1 ZINC000620722805 546445824 /nfs/dbraw/zinc/44/58/24/546445824.db2.gz IGDXDDLARZLEJB-HZPDHXFCSA-N 0 0 330.432 0.055 10 0 ECAERN CCn1cc(O[C@@H]2CN(c3nccn4nc(C)cc34)C[C@H]2O)cn1 ZINC000624421152 546923744 /nfs/dbraw/zinc/92/37/44/546923744.db2.gz UHPYDYXJWBHNJY-HUUCEWRRSA-N 0 0 328.376 0.883 10 0 ECAERN O=S(=O)(CCCOCc1ccccc1)N[C@H]1CCOC[C@H]1O ZINC000625591530 547159784 /nfs/dbraw/zinc/15/97/84/547159784.db2.gz GXYWIPLEWISGJS-LSDHHAIUSA-N 0 0 329.418 0.663 10 0 ECAERN CC[C@H](C)c1nnc(N2CC[C@H](n3cc(C(N)=O)nn3)C2)n1CC ZINC000669099009 547827652 /nfs/dbraw/zinc/82/76/52/547827652.db2.gz LFSGFTWCBCJKMD-QWRGUYRKSA-N 0 0 332.412 0.953 10 0 ECAERN O=S(=O)(c1ccc(F)cc1)N1CC[C@](O)(Cn2ccnn2)C1 ZINC000671431498 548147308 /nfs/dbraw/zinc/14/73/08/548147308.db2.gz PJCBDNDTENGHAM-ZDUSSCGKSA-N 0 0 326.353 0.243 10 0 ECAERN CCC1(C(=O)N2CC(N3C[C@H](c4nc(C)no4)CC3=O)C2)COC1 ZINC000685941811 549728086 /nfs/dbraw/zinc/72/80/86/549728086.db2.gz HQSUGCOZTFABMB-LLVKDONJSA-N 0 0 334.376 0.331 10 0 ECAERN CO[C@@H]1CN(S(=O)(=O)CC(F)(F)F)C[C@H]1c1cn(C)nn1 ZINC000888076200 586245505 /nfs/dbraw/zinc/24/55/05/586245505.db2.gz HXWCRDVNGLOAOI-IONNQARKSA-N 0 0 328.316 0.121 10 0 ECAERN Cc1c(C(=O)N[C@H]2COC[C@H]2Oc2cnn(C)c2)nn2c1OCCC2 ZINC000888093573 586348570 /nfs/dbraw/zinc/34/85/70/586348570.db2.gz HWAJPKKQNSXIJV-QWHCGFSZSA-N 0 0 347.375 0.284 10 0 ECAERN Cc1cc(CC(=O)N2CC[C@H](c3cc(=O)[nH]c(N(C)C)n3)C2)n(C)n1 ZINC000888095360 586349390 /nfs/dbraw/zinc/34/93/90/586349390.db2.gz YXOAZGJSIFNSII-LBPRGKRZSA-N 0 0 344.419 0.849 10 0 ECAERN CN(C)c1nc([C@@H]2CCN(C(=O)CCc3ccn(C)n3)C2)cc(=O)[nH]1 ZINC000888095158 586349420 /nfs/dbraw/zinc/34/94/20/586349420.db2.gz SHDGPHDQIPKFSR-GFCCVEGCSA-N 0 0 344.419 0.930 10 0 ECAERN O=C(NCc1cnn2ccccc12)c1coc(CN2CC[C@H](O)C2)n1 ZINC000888095761 586349494 /nfs/dbraw/zinc/34/94/94/586349494.db2.gz XUTNZTSEBHGUBN-ZDUSSCGKSA-N 0 0 341.371 0.819 10 0 ECAERN CCS(=O)(=O)NCCN1C[C@H](OC)C[C@H]1c1nc(C)c(C)[nH]1 ZINC000888102896 586350570 /nfs/dbraw/zinc/35/05/70/586350570.db2.gz TTZKKBOEKDNPQY-OLZOCXBDSA-N 0 0 330.454 0.728 10 0 ECAERN C[C@H](CN1CCOCC1)NC(=O)C1C[C@H]2CSC[C@@H](C1)C2=O ZINC000900208207 586531115 /nfs/dbraw/zinc/53/11/15/586531115.db2.gz DTSSRPTWFSFPMQ-RLAWYHOSSA-N 0 0 326.462 0.782 10 0 ECAERN CN1C(=O)N[C@]2(CCN(C(=O)c3ccnc(NC4CCC4)c3)C2)C1=O ZINC000900477931 586634768 /nfs/dbraw/zinc/63/47/68/586634768.db2.gz HYMBBNVEELUSMO-KRWDZBQOSA-N 0 0 343.387 0.812 10 0 ECAERN CN1CCO[C@H](C(=O)NC2(c3noc(C4CC4)n3)CCCC2)C1=O ZINC000900944918 586678111 /nfs/dbraw/zinc/67/81/11/586678111.db2.gz XVCZUKUMMSNZDB-LLVKDONJSA-N 0 0 334.376 0.690 10 0 ECAERN CCNC(=O)NC(=O)[C@@H](C)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000105820368 589139812 /nfs/dbraw/zinc/13/98/12/589139812.db2.gz PEMULFQTQWGKFR-ZBFHGGJFSA-N 0 0 348.447 0.572 10 0 ECAERN Cn1cc(COC(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2cnn(C)c2)cn1 ZINC000115738050 589719278 /nfs/dbraw/zinc/71/92/78/589719278.db2.gz FJIGUROVWPRSFJ-HIFRSBDPSA-N 0 0 331.376 0.807 10 0 ECAERN CNC(=O)c1nn(CN2C[C@@H](C)O[C@H](C)C2)c(=O)c2ccccc21 ZINC000014182615 589947022 /nfs/dbraw/zinc/94/70/22/589947022.db2.gz OKPKZZQXJHVYOY-VXGBXAGGSA-N 0 0 330.388 0.823 10 0 ECAERN CN(C)c1nc([C@H]2CCN(C(=O)Cc3cnn(C)c3)C2)cc(=O)[nH]1 ZINC000864840670 590110320 /nfs/dbraw/zinc/11/03/20/590110320.db2.gz AOJJTUUGLYCXMM-LBPRGKRZSA-N 0 0 330.392 0.540 10 0 ECAERN CCCC(=O)N[C@H]1CCCN(Cn2nc(CO)n(C)c2=S)C1 ZINC000120441999 590135048 /nfs/dbraw/zinc/13/50/48/590135048.db2.gz PTFJRCSWHCTWHE-NSHDSACASA-N 0 0 327.454 0.782 10 0 ECAERN O=S(=O)(/C=C/c1ccccc1)NC[C@H](O)CN1CCOCC1 ZINC000126338385 590438514 /nfs/dbraw/zinc/43/85/14/590438514.db2.gz JGUPQXLOFATCDX-VQCVXAJWSA-N 0 0 326.418 0.270 10 0 ECAERN CCCCN(CC(F)(F)F)C(=O)C[C@H]1CS(=O)(=O)CCN1 ZINC000126584073 590470412 /nfs/dbraw/zinc/47/04/12/590470412.db2.gz PHTAJAQOKVDVGP-JTQLQIEISA-N 0 0 330.372 0.954 10 0 ECAERN C[C@@H](CNC(=O)C(=O)Nc1cnn(C(C)(C)C)c1)N1CCOCC1 ZINC000134091493 590790675 /nfs/dbraw/zinc/79/06/75/590790675.db2.gz NEUQJSALHVICMK-LBPRGKRZSA-N 0 0 337.424 0.414 10 0 ECAERN CO[C@H]1CCCCN(CC(=O)NCCN2CCOCC2(C)C)C1=O ZINC000886074673 590790845 /nfs/dbraw/zinc/79/08/45/590790845.db2.gz MSIWNODGLIPXHM-AWEZNQCLSA-N 0 0 341.452 0.241 10 0 ECAERN O=C([O-])[C@@]1([NH+]2CCN(C(=O)Cc3ccc(F)cc3)CC2)CCOC1 ZINC000886097204 590795757 /nfs/dbraw/zinc/79/57/57/590795757.db2.gz TUELUYBBLIRDMP-QGZVFWFLSA-N 0 0 336.363 0.756 10 0 ECAERN CN1CCO[C@H](CNC(=O)Nc2cccc(CN3CCOCC3)n2)C1 ZINC000889285681 591048890 /nfs/dbraw/zinc/04/88/90/591048890.db2.gz PHKJSDZCUASWEN-OAHLLOKOSA-N 0 0 349.435 0.366 10 0 ECAERN CO[C@@H]1CC(=O)N(CN2CCN(C[C@H](O)c3ccccc3)CC2)C1 ZINC000189145088 611505222 /nfs/dbraw/zinc/50/52/22/611505222.db2.gz PEKUJMJNSSWJJF-SJORKVTESA-N 0 0 333.432 0.542 10 0 ECAERN Cc1cc(C(=O)NCc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)c(C)o1 ZINC000222469356 609078037 /nfs/dbraw/zinc/07/80/37/609078037.db2.gz IUCBNCRCHXCHMT-UHFFFAOYSA-N 0 0 331.332 0.100 10 0 ECAERN CC(=O)N1Cc2cccnc2[C@@H](C(=O)NCc2cc(C)nn2C)C1 ZINC000222633624 609101898 /nfs/dbraw/zinc/10/18/98/609101898.db2.gz PTGZJBJBMYACIR-HNNXBMFYSA-N 0 0 327.388 0.886 10 0 ECAERN Cc1noc(-c2cncn(CCC(=O)N3C[C@@H](C)O[C@@H](C)C3)c2=O)n1 ZINC000222847947 609125450 /nfs/dbraw/zinc/12/54/50/609125450.db2.gz ZUWZUWFYQLVNBV-PHIMTYICSA-N 0 0 347.375 0.628 10 0 ECAERN C/C=C\[C@H](O)C(=O)N1C[C@@H](COCC(=O)N(C)C)OC(C)(C)C1 ZINC000908089186 609642700 /nfs/dbraw/zinc/64/27/00/609642700.db2.gz GINAUHUTAWMZFJ-JSIVBPPZSA-N 0 0 328.409 0.034 10 0 ECAERN COC(CNC(=O)[C@H]1C[C@H](O)CN1C(C)=O)(OC)c1ccccc1 ZINC000913222866 609658712 /nfs/dbraw/zinc/65/87/12/609658712.db2.gz JERZRJBEQOIWHZ-LSDHHAIUSA-N 0 0 336.388 0.230 10 0 ECAERN O=C(Cc1cc(F)cc2c1OCOC2)N[C@@H]1C[C@H](O)[C@@H]1n1cccn1 ZINC000909158980 609679206 /nfs/dbraw/zinc/67/92/06/609679206.db2.gz AWWXIXGDITZVAX-IJEWVQPXSA-N 0 0 347.346 0.922 10 0 ECAERN CC(C)(C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H]1C[C@@H](O)[C@@H]1n1cccn1 ZINC000909158699 609679237 /nfs/dbraw/zinc/67/92/37/609679237.db2.gz DTGKWOCWOVBSCD-AAVRWANBSA-N 0 0 334.420 0.711 10 0 ECAERN CN(C)c1nc2ccccc2n(CCC(=O)N2CCN(C)CC2)c1=O ZINC000222867542 609705676 /nfs/dbraw/zinc/70/56/76/609705676.db2.gz JHMGVPDKDCVDCC-UHFFFAOYSA-N 0 0 343.431 0.627 10 0 ECAERN CCc1nccn1CCCNC(=O)Cc1nc(C)n(C)c(=O)c1C ZINC000222929079 609706259 /nfs/dbraw/zinc/70/62/59/609706259.db2.gz OJZHAYDHAOSPAA-UHFFFAOYSA-N 0 0 331.420 0.905 10 0 ECAERN COCCS(=O)(=O)N1CCn2c(nnc2C(F)(F)F)[C@H]1C ZINC000223521994 609712128 /nfs/dbraw/zinc/71/21/28/609712128.db2.gz SCYMFZSALPYJRB-SSDOTTSWSA-N 0 0 328.316 0.650 10 0 ECAERN CC[C@@H](C)[C@@H]1Nc2ncnc(NCCN3CCOCC3)c2NC1=O ZINC000224001706 609716486 /nfs/dbraw/zinc/71/64/86/609716486.db2.gz QOVNHOKVGKTSQM-NEPJUHHUSA-N 0 0 334.424 0.999 10 0 ECAERN Cn1cc([C@@H]2[C@H](C(=O)OCCc3cn[nH]c3)CCC(=O)N2C)cn1 ZINC000175688923 609725087 /nfs/dbraw/zinc/72/50/87/609725087.db2.gz YBPORRNBRRFAID-UKRRQHHQSA-N 0 0 331.376 0.839 10 0 ECAERN Nc1nc2nc[nH]c2c(N2CCn3nc(C(=O)NC4CC4)cc3C2)n1 ZINC000067847446 609725765 /nfs/dbraw/zinc/72/57/65/609725765.db2.gz HWKLTLQKRHZSBT-UHFFFAOYSA-N 0 0 339.363 0.044 10 0 ECAERN CC(=O)N1CCC(C(=O)N(C)[C@@H]2CCc3nn(C)c(=O)n3CC2)CC1 ZINC000169783262 609746911 /nfs/dbraw/zinc/74/69/11/609746911.db2.gz IHHJFFCWDXEVPX-CQSZACIVSA-N 0 0 349.435 0.004 10 0 ECAERN Cc1nc2c(c(N(C)[C@@H]3CCS(=O)(=O)C3)n1)NC(=O)[C@H](C)N2 ZINC000230265381 609768913 /nfs/dbraw/zinc/76/89/13/609768913.db2.gz WEQREQYGTGGRLI-IONNQARKSA-N 0 0 325.394 0.161 10 0 ECAERN COCCN1CCN(C(=O)NCC[S@@](=O)C(C)(C)C)C[C@H]1C ZINC000172657023 609774764 /nfs/dbraw/zinc/77/47/64/609774764.db2.gz MHICYKXGNOMWQI-MCMMXHMISA-N 0 0 333.498 0.896 10 0 ECAERN O=C1c2ccccc2N(CN2CCO[C@@H](Cn3cccn3)C2)C1=O ZINC000152835686 609883201 /nfs/dbraw/zinc/88/32/01/609883201.db2.gz UOFMEFMFGSAKNU-CYBMUJFWSA-N 0 0 326.356 0.771 10 0 ECAERN O=C(CO)NCCC(=O)N1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000912982102 610024991 /nfs/dbraw/zinc/02/49/91/610024991.db2.gz HHAMHEYWJOPQBV-CYBMUJFWSA-N 0 0 326.780 0.818 10 0 ECAERN CCOCCONC(=O)N1CCN(Cc2c(C)nn(C)c2C)CC1 ZINC000185755676 610897236 /nfs/dbraw/zinc/89/72/36/610897236.db2.gz OQXDAKGUXSBVBU-UHFFFAOYSA-N 0 0 339.440 0.832 10 0 ECAERN CCCO[C@@H](C)C(=O)NCC1CCN(c2cnn(C)c(=O)c2)CC1 ZINC000077284881 612033824 /nfs/dbraw/zinc/03/38/24/612033824.db2.gz URZZKKADGOUSKA-ZDUSSCGKSA-N 0 0 336.436 0.928 10 0 ECAERN COC(=O)[C@@H]1C[C@@H]1C(=O)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000247248509 612865131 /nfs/dbraw/zinc/86/51/31/612865131.db2.gz SYZKOXJISMVQAR-ARFHVFGLSA-N 0 0 332.400 0.673 10 0 ECAERN Nc1ncc(Br)cc1S(=O)(=O)NCCN1CCCC1 ZINC000054132074 214218083 /nfs/dbraw/zinc/21/80/83/214218083.db2.gz KLEPWSXTWGDAFF-UHFFFAOYSA-N 0 0 349.254 0.800 10 0 ECAERN COCc1cc(C(=O)N[C@@H]2CCCN(c3cc(C)nn3C)C2=O)no1 ZINC000173068523 230872982 /nfs/dbraw/zinc/87/29/82/230872982.db2.gz MCMBQDPBNJJXSC-GFCCVEGCSA-N 0 0 347.375 0.788 10 0 ECAERN CCc1ccc(S(=O)(=O)N2CCOC[C@@H]2C(N)=O)cc1CC ZINC000183351063 529696561 /nfs/dbraw/zinc/69/65/61/529696561.db2.gz XSAVTSCKGSGICH-CQSZACIVSA-N 0 0 326.418 0.686 10 0 ECAERN CN1CCO[C@H](CNC(=O)c2ccc3c(c2)NC(=O)CCN3C)C1 ZINC000174392673 529789946 /nfs/dbraw/zinc/78/99/46/529789946.db2.gz JVXKZCAYHCQGRL-CYBMUJFWSA-N 0 0 332.404 0.525 10 0 ECAERN CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1ccc(-c2cc[nH]n2)cc1 ZINC000181914090 529923038 /nfs/dbraw/zinc/92/30/38/529923038.db2.gz KCLAIMKYOLBVRX-CQSZACIVSA-N 0 0 341.371 0.752 10 0 ECAERN CNS(=O)(=O)c1cc(C(=O)NCCn2cc(C)cn2)c(C)o1 ZINC000176098832 530025200 /nfs/dbraw/zinc/02/52/00/530025200.db2.gz AZPWLIDALNNYRV-UHFFFAOYSA-N 0 0 326.378 0.431 10 0 ECAERN O=C(NC[C@@H]1CC(=O)N(C2CC2)C1)N1CCN(Cc2ccon2)CC1 ZINC000182010288 234416242 /nfs/dbraw/zinc/41/62/42/234416242.db2.gz HTTVHNQSSAFQQW-ZDUSSCGKSA-N 0 0 347.419 0.513 10 0 ECAERN CN(C(=O)NCC(=O)NCC1CC1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000183783360 235225220 /nfs/dbraw/zinc/22/52/20/235225220.db2.gz KYIZJXORODKJDS-CQSZACIVSA-N 0 0 346.435 0.613 10 0 ECAERN COC(=O)CNC(=O)[C@@H]1CC(=O)N(c2ccc(NC(C)=O)cc2)C1 ZINC000020370748 202040382 /nfs/dbraw/zinc/04/03/82/202040382.db2.gz AISZXRBGGOADGO-LLVKDONJSA-N 0 0 333.344 0.287 10 0 ECAERN CN(C(=O)c1nc(S(C)(=O)=O)ncc1Cl)C1CCN(C)CC1 ZINC000027666137 202159599 /nfs/dbraw/zinc/15/95/99/202159599.db2.gz KTCVRAXHXZOCIJ-UHFFFAOYSA-N 0 0 346.840 0.700 10 0 ECAERN O=C(NC1CN(C(=O)[C@@H]2Cc3ccccc3C(=O)O2)C1)C1CCC1 ZINC000188496737 236575237 /nfs/dbraw/zinc/57/52/37/236575237.db2.gz VQIUSWPJEFYZOL-HNNXBMFYSA-N 0 0 328.368 0.895 10 0 ECAERN COc1cc(OC)cc([C@H]2CC(=O)N(CN3CCOCC3)C2=O)c1 ZINC000033854598 202269673 /nfs/dbraw/zinc/26/96/73/202269673.db2.gz UBZQQTRRQCIACG-OAHLLOKOSA-N 0 0 334.372 0.836 10 0 ECAERN COc1ccc([C@H]2C[C@@H](O)[C@@H](O)[C@@H]2NC(=O)c2cc(C)on2)cc1 ZINC000072321703 202364483 /nfs/dbraw/zinc/36/44/83/202364483.db2.gz JZVMDSZDATUFEL-DTZQCDIJSA-N 0 0 332.356 0.999 10 0 ECAERN O=C(N[C@@H]1COc2ccccc21)c1cc(N2CCNC(=O)C2)ccn1 ZINC000190650848 238654009 /nfs/dbraw/zinc/65/40/09/238654009.db2.gz IYWBCWJTPBCTEY-OAHLLOKOSA-N 0 0 338.367 0.881 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)c1ccc(S(C)(=O)=O)cc1)CC2 ZINC000114868987 201072096 /nfs/dbraw/zinc/07/20/96/201072096.db2.gz OAAUCIJLDJTWCZ-GFCCVEGCSA-N 0 0 348.428 0.989 10 0 ECAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1CC(=O)NCC(=O)N1CCCC1 ZINC000105895528 201059888 /nfs/dbraw/zinc/05/98/88/201059888.db2.gz WXBYODGCOOOPAO-HNNXBMFYSA-N 0 0 347.463 0.912 10 0 ECAERN CN1CCO[C@@H](CNC(=O)N2CCN(Cc3ccncc3)CC2)C1 ZINC000105283106 201060213 /nfs/dbraw/zinc/06/02/13/201060213.db2.gz YMFJWZJCFAQHDU-INIZCTEOSA-N 0 0 333.436 0.239 10 0 ECAERN C[C@H](CNC(=O)N1CCC(N2CCCC2=O)CC1)N1CCOCC1 ZINC000105124214 201061695 /nfs/dbraw/zinc/06/16/95/201061695.db2.gz CKQLSCIYJRLQET-CQSZACIVSA-N 0 0 338.452 0.504 10 0 ECAERN CCn1c2ccccc2n(CC(=O)N[C@H]2CCc3ncnn3C2)c1=O ZINC000112660835 201067018 /nfs/dbraw/zinc/06/70/18/201067018.db2.gz GKXXAKQSRJTQQA-LBPRGKRZSA-N 0 0 340.387 0.546 10 0 ECAERN CCCS(=O)(=O)CC(=O)N1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC000116775230 201076541 /nfs/dbraw/zinc/07/65/41/201076541.db2.gz MXXQDPHOXDDDAM-AWEZNQCLSA-N 0 0 342.465 0.958 10 0 ECAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)CS(=O)(=O)N(CC)CC ZINC000124079429 201093644 /nfs/dbraw/zinc/09/36/44/201093644.db2.gz SIKKSMZFEMTXQK-NSHDSACASA-N 0 0 343.453 0.463 10 0 ECAERN CNC(=O)[C@H](C)NS(=O)(=O)c1cc(Br)ccc1N ZINC000042560680 202498524 /nfs/dbraw/zinc/49/85/24/202498524.db2.gz KTRLGPNVMZPJAQ-LURJTMIESA-N 0 0 336.211 0.444 10 0 ECAERN OC[C@@H]1O[C@H](Sc2cc(Cl)ccc2Cl)[C@H](O)[C@@H](O)[C@H]1O ZINC000104994444 201387939 /nfs/dbraw/zinc/38/79/39/201387939.db2.gz KWZTZVROMUGRAB-XENQEKTKSA-N 0 0 341.212 0.885 10 0 ECAERN CCCCOC[C@H](O)Cn1c(=O)c(F)cn([C@H]2CCCO2)c1=O ZINC000193385523 240140659 /nfs/dbraw/zinc/14/06/59/240140659.db2.gz AHZVXSQCDDHTHI-DGCLKSJQSA-N 0 0 330.356 0.636 10 0 ECAERN C[C@H]1CN(C(=O)C(=O)Nc2ccc(F)cn2)C[C@H]1N1CCOCC1 ZINC000193718370 240280925 /nfs/dbraw/zinc/28/09/25/240280925.db2.gz MLWDMYGQHZNULD-WCQYABFASA-N 0 0 336.367 0.338 10 0 ECAERN Cc1csc([C@H]2CN(S(=O)(=O)c3cnn(C)c3)CCO2)n1 ZINC000193952970 240377344 /nfs/dbraw/zinc/37/73/44/240377344.db2.gz FLICZXAPQOETDM-LLVKDONJSA-N 0 0 328.419 0.947 10 0 ECAERN COCCCNC(=O)CNC(=O)Cn1ccc2ccccc2c1=O ZINC000003896390 201583518 /nfs/dbraw/zinc/58/35/18/201583518.db2.gz XVMUFJYTBSKGHQ-UHFFFAOYSA-N 0 0 331.372 0.270 10 0 ECAERN CC1(C)O[C@H]2[C@@H](O1)[C@@H](n1cnc3c1ncnc3Cl)O[C@H]2CO ZINC000006202172 201675463 /nfs/dbraw/zinc/67/54/63/201675463.db2.gz VDYNZOUPLVQLRV-YWZCALJYSA-N 0 0 326.740 0.890 10 0 ECAERN CC[C@H]1CN(C(=O)C(=O)Nc2ccc(C)nc2)CCN1C[C@H](C)O ZINC000245693224 243143252 /nfs/dbraw/zinc/14/32/52/243143252.db2.gz QGJIJHQHXNYTTM-ZFWWWQNUSA-N 0 0 334.420 0.632 10 0 ECAERN O=C(CCc1ccco1)N[C@@H]1CS(=O)(=O)C[C@H]1N1CCCCC1 ZINC000069520534 203012782 /nfs/dbraw/zinc/01/27/82/203012782.db2.gz RAPSMHVDXAUPFH-HUUCEWRRSA-N 0 0 340.445 0.980 10 0 ECAERN C[C@@H]1C[C@@H]1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F ZINC000075527140 203317585 /nfs/dbraw/zinc/31/75/85/203317585.db2.gz ADJNXCMXBCSFHF-YGRLFVJLSA-N 0 0 342.392 0.985 10 0 ECAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)Cc1ccc(-n2cnnn2)cc1 ZINC000081579115 203484934 /nfs/dbraw/zinc/48/49/34/203484934.db2.gz SNZWFUQHMVVXRG-AWEZNQCLSA-N 0 0 338.375 0.756 10 0 ECAERN NC(=O)N1CCC[C@@H](C(=O)NCCc2nc3ccccc3c(=O)[nH]2)C1 ZINC000091943710 203659077 /nfs/dbraw/zinc/65/90/77/203659077.db2.gz GWJSPIRIQNRSCI-LLVKDONJSA-N 0 0 343.387 0.373 10 0 ECAERN CC(C)(C)NC(=O)NC(=O)CN1CCC(Nc2cccnn2)CC1 ZINC000105804519 204160748 /nfs/dbraw/zinc/16/07/48/204160748.db2.gz WOTKZJCBUZHFEC-UHFFFAOYSA-N 0 0 334.424 0.977 10 0 ECAERN Cc1ccc(N2CCCN([C@@H](C)C(=O)NC(=O)NC(C)C)CC2)nn1 ZINC000105801190 204161345 /nfs/dbraw/zinc/16/13/45/204161345.db2.gz ZIDQSNOCTNTYOV-AWEZNQCLSA-N 0 0 348.451 0.920 10 0 ECAERN O=C(CN1C(=O)c2ccccc2C1=O)N1CCC[C@@H](n2cncn2)C1 ZINC000105853262 204171422 /nfs/dbraw/zinc/17/14/22/204171422.db2.gz IBMNNKYNMIWOEP-GFCCVEGCSA-N 0 0 339.355 0.738 10 0 ECAERN CN(Cc1nc(N)nc(N)n1)C[C@H](c1cccs1)N1CCOCC1 ZINC000105874502 204174447 /nfs/dbraw/zinc/17/44/47/204174447.db2.gz XXQFCDACHOZOER-LLVKDONJSA-N 0 0 349.464 0.603 10 0 ECAERN Cc1nc(CN2CCC(CNC(=O)[C@@H]3CNC(=O)C3)CC2)oc1C ZINC000111154824 204339134 /nfs/dbraw/zinc/33/91/34/204339134.db2.gz FPZDKEJCIKQJLE-AWEZNQCLSA-N 0 0 334.420 0.756 10 0 ECAERN CN(Cc1ccccc1)C(=O)CNC(=O)N[C@H]1CCc2ncnn2C1 ZINC000112745001 204416834 /nfs/dbraw/zinc/41/68/34/204416834.db2.gz AJTMFTMHIGHSLH-AWEZNQCLSA-N 0 0 342.403 0.551 10 0 ECAERN COc1cccc(C(=O)NCCNC(=O)NCCn2cc(C)cn2)c1 ZINC000118057602 204584012 /nfs/dbraw/zinc/58/40/12/204584012.db2.gz LBPMOVIUWRSVAB-UHFFFAOYSA-N 0 0 345.403 0.929 10 0 ECAERN Cc1cnn(C[C@H]2CN(C(=O)C(=O)Nc3ccc(C)nc3)CCO2)c1 ZINC000119186916 204636239 /nfs/dbraw/zinc/63/62/39/204636239.db2.gz IUZUFRNIPYUSKM-OAHLLOKOSA-N 0 0 343.387 0.761 10 0 ECAERN O=C(CCOc1ccccc1Cl)NC[C@@H](O)CN1CCOCC1 ZINC000121360086 204795295 /nfs/dbraw/zinc/79/52/95/204795295.db2.gz LYXFKXLFSXZAHN-CYBMUJFWSA-N 0 0 342.823 0.918 10 0 ECAERN C[C@H]1CN(C(=O)NCCc2nc3ccccc3[nH]2)CCS1(=O)=O ZINC000122093044 204847795 /nfs/dbraw/zinc/84/77/95/204847795.db2.gz SVNIKQFXEWOPMH-NSHDSACASA-N 0 0 336.417 0.934 10 0 ECAERN O=C(CNC(=O)c1ccccc1)N1CCC[C@@H](Cn2cncn2)C1 ZINC000127055043 205082644 /nfs/dbraw/zinc/08/26/44/205082644.db2.gz ANILZRSHVYVQIW-CQSZACIVSA-N 0 0 327.388 0.947 10 0 ECAERN O=C(NC[C@H](O)CN1CCOCC1)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000132510176 205328489 /nfs/dbraw/zinc/32/84/89/205328489.db2.gz FPNMGGIOCMBXTG-IHRRRGAJSA-N 0 0 340.370 0.878 10 0 ECAERN CCOCCS(=O)(=O)N1CCO[C@H](Cn2nc(C)cc2C)C1 ZINC000111344898 220142435 /nfs/dbraw/zinc/14/24/35/220142435.db2.gz YNLGMGOOBHNLOY-AWEZNQCLSA-N 0 0 331.438 0.567 10 0 ECAERN COCc1nc2n(n1)C[C@@H](NC(=O)[C@@H](C)NC(=O)c1ccco1)CC2 ZINC000135144594 205444082 /nfs/dbraw/zinc/44/40/82/205444082.db2.gz BFSVKONNXJLFQM-MNOVXSKESA-N 0 0 347.375 0.267 10 0 ECAERN Cc1ccc(N2CC[C@H](NC(=O)N[C@H](C(N)=O)C(C)C)C2=O)cc1 ZINC000135317980 205453365 /nfs/dbraw/zinc/45/33/65/205453365.db2.gz RDRUYKJGXHDTBK-KBPBESRZSA-N 0 0 332.404 0.909 10 0 ECAERN C[C@@H]1COC[C@@H](C)N1C(=O)C1=NN(c2ccccc2)C(=O)[C@H](C)N1 ZINC000155134597 205987800 /nfs/dbraw/zinc/98/78/00/205987800.db2.gz OQHNBRYWZRQFRV-UPJWGTAASA-N 0 0 330.388 0.961 10 0 ECAERN CCc1n[nH]c(=O)c(CNC(=O)NC[C@@H]2CN(C)CCO2)c1CC ZINC000158167863 206176909 /nfs/dbraw/zinc/17/69/09/206176909.db2.gz PNFARPDRLYDDFM-LLVKDONJSA-N 0 0 337.424 0.025 10 0 ECAERN CSc1cc(C(=O)NC[C@@H](O)CN2CCOCC2)ccc1F ZINC000161609784 206359664 /nfs/dbraw/zinc/35/96/64/206359664.db2.gz RZAIDQAIAZOSTL-GFCCVEGCSA-N 0 0 328.409 0.971 10 0 ECAERN NC(=O)[C@@H]1COCCN1C(=O)c1cc(F)cc(Br)c1 ZINC000091779087 295119694 /nfs/dbraw/zinc/11/96/94/295119694.db2.gz KUNYYPPKXHAISC-JTQLQIEISA-N 0 0 331.141 0.915 10 0 ECAERN CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1ccccc1-n1cccn1 ZINC000166899257 206536051 /nfs/dbraw/zinc/53/60/51/206536051.db2.gz VCUNUMSMKJHYJP-CQSZACIVSA-N 0 0 341.371 0.548 10 0 ECAERN O=C([O-])c1cc(F)cc(S(=O)(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000185011325 304225207 /nfs/dbraw/zinc/22/52/07/304225207.db2.gz PFFGPUBZXHYPSL-GFCCVEGCSA-N 0 0 328.365 0.993 10 0 ECAERN CNS(=O)(=O)c1cc(C(=O)N[C@@H]2CCCn3ncnc32)c(C)o1 ZINC000175709776 207152680 /nfs/dbraw/zinc/15/26/80/207152680.db2.gz OZZFTKHDIKGVLK-SNVBAGLBSA-N 0 0 339.377 0.353 10 0 ECAERN COc1cccc(C(=O)NCC(=O)N[C@H]2CCCn3ncnc32)c1 ZINC000175823705 207163434 /nfs/dbraw/zinc/16/34/34/207163434.db2.gz XCDVCXGPHAYJCY-ZDUSSCGKSA-N 0 0 329.360 0.668 10 0 ECAERN COC[C@H](C)CNC(=O)N[C@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000176405214 207223936 /nfs/dbraw/zinc/22/39/36/207223936.db2.gz ZTIAPZBMJSBULH-YPMHNXCESA-N 0 0 337.424 0.806 10 0 ECAERN CNC(=O)[C@H]1CCCN1C(=O)Nc1cc(-n2cnnn2)ccc1F ZINC000176435063 207226813 /nfs/dbraw/zinc/22/68/13/207226813.db2.gz REWYJZDCDZYQNO-GFCCVEGCSA-N 0 0 333.327 0.544 10 0 ECAERN O=C(NC[C@@H](O)COc1ccc(F)cc1)N[C@@H]1CCCn2ncnc21 ZINC000176595011 207242218 /nfs/dbraw/zinc/24/22/18/207242218.db2.gz WTQCTNBSOWBNLE-TZMCWYRMSA-N 0 0 349.366 0.991 10 0 ECAERN O=C(NCCNC(=O)c1ccc(F)cc1)N[C@@H]1CCCn2ncnc21 ZINC000177320298 207320424 /nfs/dbraw/zinc/32/04/24/207320424.db2.gz TUZKGZTVACCULW-CYBMUJFWSA-N 0 0 346.366 0.981 10 0 ECAERN NC(=O)Cc1ccc(NC(=O)C(=O)N2CCN3CCCC[C@@H]3C2)cc1 ZINC000177403129 207330926 /nfs/dbraw/zinc/33/09/26/207330926.db2.gz MAWMEYMTRUHAQX-OAHLLOKOSA-N 0 0 344.415 0.350 10 0 ECAERN CCn1cc(NC(=O)C(=O)N2CCN3CCCC[C@@H]3C2)ccc1=O ZINC000177396664 207331099 /nfs/dbraw/zinc/33/10/99/207331099.db2.gz MYSFNJCINOSSFE-CQSZACIVSA-N 0 0 332.404 0.503 10 0 ECAERN O=C(CSC[C@H](O)CO)NCCc1cnn(-c2ccccc2)c1 ZINC000177434479 207335898 /nfs/dbraw/zinc/33/58/98/207335898.db2.gz AVABXDBUXIJKBM-OAHLLOKOSA-N 0 0 335.429 0.617 10 0 ECAERN O=C(c1cc[nH]c(=O)c1)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000177543726 207353011 /nfs/dbraw/zinc/35/30/11/207353011.db2.gz BWBZYPIUGADSQV-INIZCTEOSA-N 0 0 327.384 0.866 10 0 ECAERN CC(C)n1nccc1NC(=O)C(=O)N1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000177610447 207363793 /nfs/dbraw/zinc/36/37/93/207363793.db2.gz SVNRWWDZPJIUFB-CHWSQXEVSA-N 0 0 337.424 0.316 10 0 ECAERN O=C(Nc1ccccc1F)C(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000177650805 207368971 /nfs/dbraw/zinc/36/89/71/207368971.db2.gz NFHHCXQKWDFBPM-LBPRGKRZSA-N 0 0 332.335 0.888 10 0 ECAERN Cc1csc(NC(=O)C(=O)N2CCO[C@H](Cn3cccn3)C2)n1 ZINC000177652876 207369641 /nfs/dbraw/zinc/36/96/41/207369641.db2.gz JZNGLKYETPPEBN-NSHDSACASA-N 0 0 335.389 0.514 10 0 ECAERN C[C@H](c1nc(Cc2ccccc2)no1)S(=O)(=O)C[C@H](O)CO ZINC000177672069 207374170 /nfs/dbraw/zinc/37/41/70/207374170.db2.gz ICHWYQPXADUURZ-ZYHUDNBSSA-N 0 0 326.374 0.489 10 0 ECAERN CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1ccc2scnc2c1 ZINC000178396985 207480431 /nfs/dbraw/zinc/48/04/31/207480431.db2.gz BFHYUIQIAJXDKI-LLVKDONJSA-N 0 0 332.385 0.972 10 0 ECAERN NC(=O)[C@H]1COCCN1C[C@@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000179723917 207681543 /nfs/dbraw/zinc/68/15/43/207681543.db2.gz GWJLPOFVTBXFPJ-QWHCGFSZSA-N 0 0 332.322 0.795 10 0 ECAERN COC(=O)[C@H]1C[C@H]1C(=O)Nc1cn(C)cc(Br)c1=O ZINC000180285661 207759189 /nfs/dbraw/zinc/75/91/89/207759189.db2.gz NXRZVSDYKCHEQL-RQJHMYQMSA-N 0 0 329.150 0.895 10 0 ECAERN Cc1ccc2c(c1)[C@@H](NC(=O)Cn1ccc(=O)n(C)c1=O)[C@@H](C)C2 ZINC000181228556 207904360 /nfs/dbraw/zinc/90/43/60/207904360.db2.gz YOVYTHIKSAFKJW-SJCJKPOMSA-N 0 0 327.384 0.905 10 0 ECAERN O=C(NCCN1C(=O)CNC1=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000113372941 220528350 /nfs/dbraw/zinc/52/83/50/220528350.db2.gz RMVJOPFDGYYMFV-BDAKNGLRSA-N 0 0 336.314 0.959 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)N[C@@H](C)CS(=O)(=O)CC)CC2 ZINC000114968762 220795156 /nfs/dbraw/zinc/79/51/56/220795156.db2.gz YLAFXPXUHVKILJ-WDEREUQCSA-N 0 0 343.453 0.278 10 0 ECAERN CCOCCN1CCN(C(=O)CCNC(=O)c2ccco2)C[C@@H]1C ZINC000117275216 221041441 /nfs/dbraw/zinc/04/14/41/221041441.db2.gz XFHHKMWYLJSARW-AWEZNQCLSA-N 0 0 337.420 0.969 10 0 ECAERN COCCN1CCN(C(=O)C(=O)NCCCc2ccccc2)C[C@@H]1C ZINC000117296757 221046771 /nfs/dbraw/zinc/04/67/71/221046771.db2.gz BULFSUAZMFXCCA-INIZCTEOSA-N 0 0 347.459 0.915 10 0 ECAERN COC[C@@H](C)S(=O)(=O)N1CCN([C@H](C)c2nc(C)no2)CC1 ZINC000117921255 221099588 /nfs/dbraw/zinc/09/95/88/221099588.db2.gz LMDDIERTMIVHMT-GHMZBOCLSA-N 0 0 332.426 0.421 10 0 ECAERN CCc1noc([C@H](C)N2CCN(S(=O)(=O)[C@H](C)COC)CC2)n1 ZINC000117921979 221100015 /nfs/dbraw/zinc/10/00/15/221100015.db2.gz ZJMBBDLRRZLIGE-NEPJUHHUSA-N 0 0 346.453 0.675 10 0 ECAERN CN(C)S(=O)(=O)N1CC2(C1)C[C@H](Oc1ncccc1F)CCO2 ZINC000247940303 257672671 /nfs/dbraw/zinc/67/26/71/257672671.db2.gz IGLDQKZBODJRKB-LLVKDONJSA-N 0 0 345.396 0.639 10 0 ECAERN CS(=O)(=O)N1CC[C@@H]2[C@@H](CO[C@@H]2CNC(=O)c2ccncc2)C1 ZINC000247513372 257681498 /nfs/dbraw/zinc/68/14/98/257681498.db2.gz JAUXKFAVHBAMTJ-MGPQQGTHSA-N 0 0 339.417 0.108 10 0 ECAERN CCc1nnc(CN2CCC[C@@H]2c2nc(C(=O)NC3CC3)no2)[nH]1 ZINC000328637512 258025045 /nfs/dbraw/zinc/02/50/45/258025045.db2.gz ORADKQPZOJQTRI-SNVBAGLBSA-N 0 0 331.380 0.979 10 0 ECAERN C[C@H](NC(=O)c1[nH]c(=O)[nH]c(=O)c1N)c1ccc(F)c(Cl)c1 ZINC000073050350 296613942 /nfs/dbraw/zinc/61/39/42/296613942.db2.gz ORAIAJDWGQHKSD-YFKPBYRVSA-N 0 0 326.715 0.929 10 0 ECAERN CC(=O)N[C@H]1CCCN(C(=O)c2csc(S(C)(=O)=O)c2)C1 ZINC000159300654 296711520 /nfs/dbraw/zinc/71/15/20/296711520.db2.gz FZKRDRWXXWEZTC-NSHDSACASA-N 0 0 330.431 0.892 10 0 ECAERN C[C@@H](CNC(=O)CNC(=O)c1cc(F)cc(F)c1)N1CCOCC1 ZINC000098093308 164654205 /nfs/dbraw/zinc/65/42/05/164654205.db2.gz ONZVTPLOAYTQEK-NSHDSACASA-N 0 0 341.358 0.532 10 0 ECAERN O=C(CCS(=O)(=O)C1CCCC1)N[C@H]1CCCn2ncnc21 ZINC000177539515 164907096 /nfs/dbraw/zinc/90/70/96/164907096.db2.gz GTRRJNIFRGTGFI-LBPRGKRZSA-N 0 0 326.422 0.977 10 0 ECAERN COCCCN(CCO)C(=O)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000187195791 164989059 /nfs/dbraw/zinc/98/90/59/164989059.db2.gz LRUJANRQRFZNMV-ZDUSSCGKSA-N 0 0 339.440 0.757 10 0 ECAERN CC[N@@H+]1CCC[C@@H](NC(=O)N2CCCN(CCOC)C(=O)C2)C1 ZINC000188892926 165003486 /nfs/dbraw/zinc/00/34/86/165003486.db2.gz GYEBCXOTLQLGEC-CQSZACIVSA-N 0 0 326.441 0.361 10 0 ECAERN C[C@@H]1C(=O)NCCCN1C(=O)CCn1cnc2ccccc2c1=O ZINC000188924826 165003978 /nfs/dbraw/zinc/00/39/78/165003978.db2.gz HTCOENGEHQDILK-GFCCVEGCSA-N 0 0 328.372 0.524 10 0 ECAERN CCCC[C@@H](NC(=O)NCC)C(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000189224630 165006614 /nfs/dbraw/zinc/00/66/14/165006614.db2.gz JRODCCBXPOPYGH-CQSZACIVSA-N 0 0 338.452 0.991 10 0 ECAERN C[C@@H]1C(=O)NCCCN1CC(=O)Nc1ccc(Br)cn1 ZINC000189273516 165008677 /nfs/dbraw/zinc/00/86/77/165008677.db2.gz UGYOIGCOMIUSFX-SECBINFHSA-N 0 0 341.209 0.993 10 0 ECAERN C[C@@H]1C(=O)NCCCN1C[C@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000189278872 165008889 /nfs/dbraw/zinc/00/88/89/165008889.db2.gz SCDYQBRQXQCNIP-RISCZKNCSA-N 0 0 326.418 0.334 10 0 ECAERN O=C(Cn1ccc(=O)c2ccccc21)N1CC(NC(=O)C2CC2)C1 ZINC000189464893 165011594 /nfs/dbraw/zinc/01/15/94/165011594.db2.gz QKNFVOFMKMGUHS-UHFFFAOYSA-N 0 0 325.368 0.739 10 0 ECAERN C[C@@H]1C(=O)NCCCN1S(=O)(=O)c1ccc2oc(=O)ccc2c1 ZINC000190991117 165026602 /nfs/dbraw/zinc/02/66/02/165026602.db2.gz NDIGDQAULRWZLI-SNVBAGLBSA-N 0 0 336.369 0.692 10 0 ECAERN C[C@@H]1C(=O)NCCCN1C(=O)NCCn1c2ccccc2oc1=O ZINC000191371031 165030386 /nfs/dbraw/zinc/03/03/86/165030386.db2.gz VCLQXOOCTMCHSN-LLVKDONJSA-N 0 0 332.360 0.515 10 0 ECAERN C[C@H]1C(=O)NCCCN1C(=O)N[C@@H]1CCN(c2ncccc2F)C1 ZINC000191465180 165033384 /nfs/dbraw/zinc/03/33/84/165033384.db2.gz LEOKTGAJEOOUPB-NWDGAFQWSA-N 0 0 335.383 0.719 10 0 ECAERN O=C(Cc1cnn(-c2ccccc2)c1)NC[C@@H](O)CN1CCOCC1 ZINC000192707825 165045229 /nfs/dbraw/zinc/04/52/29/165045229.db2.gz KTBGKOXZHNEYQR-QGZVFWFLSA-N 0 0 344.415 0.224 10 0 ECAERN COc1ccc(C[C@H](C)CNC(=O)[C@H]2C[C@@H](O)CN2C(C)=O)cc1 ZINC000193696330 165057096 /nfs/dbraw/zinc/05/70/96/165057096.db2.gz QXZGSRDMOWVPRW-XGWLTEMNSA-N 0 0 334.416 0.972 10 0 ECAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NC[C@@](C)(O)c1cccc(Cl)c1 ZINC000193826590 165061846 /nfs/dbraw/zinc/06/18/46/165061846.db2.gz YKIVGYCZCNWNMY-IIAWOOMASA-N 0 0 340.807 0.645 10 0 ECAERN Cc1ccc(N2C[C@@H](C(=O)NC[C@@H]3CN(C)CCO3)CC2=O)cc1 ZINC000194638376 165069428 /nfs/dbraw/zinc/06/94/28/165069428.db2.gz HEZSRDBUOYUVCF-GOEBONIOSA-N 0 0 331.416 0.795 10 0 ECAERN CCCNC(=O)CN(C)C(=O)CN1CCO[C@@H](c2nccs2)C1 ZINC000195521541 165084782 /nfs/dbraw/zinc/08/47/82/165084782.db2.gz QJEVGIMWFYPBHF-GFCCVEGCSA-N 0 0 340.449 0.501 10 0 ECAERN O=C(N[C@@H]1CCN(c2ccccn2)C1)N[C@H]1CCc2ncnn2C1 ZINC000245521243 165107997 /nfs/dbraw/zinc/10/79/97/165107997.db2.gz CBTHSEXHPZKJQU-QWHCGFSZSA-N 0 0 327.392 0.566 10 0 ECAERN CN1CCO[C@@H](CN[C@@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000245680031 165114697 /nfs/dbraw/zinc/11/46/97/165114697.db2.gz MHPQPIHCKZBMOF-QWHCGFSZSA-N 0 0 342.237 0.896 10 0 ECAERN C[C@H](O)C[N@@H+]1CCN(Cc2cnc(N3CCN(C)CC3)nc2)C[C@H]1C ZINC000245785024 165115722 /nfs/dbraw/zinc/11/57/22/165115722.db2.gz VBEUVCAISAETPY-CVEARBPZSA-N 0 0 348.495 0.115 10 0 ECAERN CCOCCN1CCN(S(=O)(=O)C[C@@H]2CCCCO2)C[C@H]1C ZINC000246944356 165148294 /nfs/dbraw/zinc/14/82/94/165148294.db2.gz CKBXQVCQRRULEY-CABCVRRESA-N 0 0 334.482 0.928 10 0 ECAERN C[C@@H]1CN([C@H](CNC(=O)NCCC(N)=O)c2cccs2)CCO1 ZINC000247055288 165153124 /nfs/dbraw/zinc/15/31/24/165153124.db2.gz UEDJWYRNWADOCN-VXGBXAGGSA-N 0 0 340.449 0.685 10 0 ECAERN CCOCCN1CCN(S(=O)(=O)c2cn(C)c(C)n2)C[C@H]1C ZINC000247120302 165153306 /nfs/dbraw/zinc/15/33/06/165153306.db2.gz NVNNIGDYZNNTSL-GFCCVEGCSA-N 0 0 330.454 0.460 10 0 ECAERN CCOCCCNC(=O)[C@@H](C)N1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000247132941 165153419 /nfs/dbraw/zinc/15/34/19/165153419.db2.gz KLFWIYJOUUJRCD-HZPDHXFCSA-N 0 0 338.452 0.824 10 0 ECAERN COCCN1CCN(C(=O)N[C@H]2CCN(C(C)C)C2=O)C[C@@H]1C ZINC000247245899 165157457 /nfs/dbraw/zinc/15/74/57/165157457.db2.gz XHITZKGFFIEORC-KBPBESRZSA-N 0 0 326.441 0.358 10 0 ECAERN Cc1ccc(N2CCCN([C@H](C)C(=O)NC(=O)NC(C)C)CC2)nn1 ZINC000247437052 165162794 /nfs/dbraw/zinc/16/27/94/165162794.db2.gz ZIDQSNOCTNTYOV-CQSZACIVSA-N 0 0 348.451 0.920 10 0 ECAERN C[C@H]1CN(Cc2cn(Cc3cccnc3)nn2)C[C@H]1N1CCOCC1 ZINC000248504277 165178226 /nfs/dbraw/zinc/17/82/26/165178226.db2.gz VLBCPYUSPHRPSD-MAUKXSAKSA-N 0 0 342.447 0.874 10 0 ECAERN CCn1cc([C@@H]2CN([C@H](C)C(=O)NC[C@@H]3CCCO3)CCO2)cn1 ZINC000248815911 165185976 /nfs/dbraw/zinc/18/59/76/165185976.db2.gz UHUARVCOEAYFKH-KBMXLJTQSA-N 0 0 336.436 0.960 10 0 ECAERN CCO[C@@H]1C[C@@](CO)(NC(=O)N[C@H]2CCc3ncnn3C2)C1(C)C ZINC000249116393 165194262 /nfs/dbraw/zinc/19/42/62/165194262.db2.gz OHDQILPQPBBFSE-OZVIIMIRSA-N 0 0 337.424 0.458 10 0 ECAERN C[C@H](NC(=O)CN1C[C@@H](c2ccsc2)[C@H](CO)C1)C(=O)N(C)C ZINC000249556885 165199001 /nfs/dbraw/zinc/19/90/01/165199001.db2.gz KCBKJESENDOBEC-UBHSHLNASA-N 0 0 339.461 0.349 10 0 ECAERN Cn1cc(S(=O)(=O)NCCN2CCCc3c(N)cccc32)cn1 ZINC000261880778 165258346 /nfs/dbraw/zinc/25/83/46/165258346.db2.gz QVZKVQAZFNSSQT-UHFFFAOYSA-N 0 0 335.433 0.733 10 0 ECAERN C[C@H]1OCCN[C@@H]1C(=O)Nc1ccc(F)c(-n2nnnc2C2CC2)c1 ZINC000262060745 165283778 /nfs/dbraw/zinc/28/37/78/165283778.db2.gz AWIMVASXQNDYMI-OTYXRUKQSA-N 0 0 346.366 0.994 10 0 ECAERN CC(C)CNC(=O)NC(=O)[C@H](C)N1CCC([N@H+](C)CC(=O)[O-])CC1 ZINC000262442404 165350573 /nfs/dbraw/zinc/35/05/73/165350573.db2.gz BIGWUBHATUKHIR-LBPRGKRZSA-N 0 0 342.440 0.338 10 0 ECAERN CCCNS(=O)(=O)c1ccc(NC(=O)[C@@H]2COCCN2)cc1 ZINC000262600681 165366247 /nfs/dbraw/zinc/36/62/47/165366247.db2.gz CETVTKFUIOIFIN-ZDUSSCGKSA-N 0 0 327.406 0.302 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)[C@H]2COc3ccccc3O2)C1 ZINC000262797017 165388081 /nfs/dbraw/zinc/38/80/81/165388081.db2.gz LXGKYKHQYQHSCE-KOHJWAIASA-N 0 0 334.372 0.880 10 0 ECAERN C[N@@H+](CC(=O)[O-])C[C@H]1CN(C(=O)C2(c3ccccc3)CC2)CCO1 ZINC000262846174 165393114 /nfs/dbraw/zinc/39/31/14/165393114.db2.gz JLLVEPVMDJSGCJ-HNNXBMFYSA-N 0 0 332.400 0.962 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)N(C)C[C@H]2CCC[C@@H]2O)C1 ZINC000263439918 165444608 /nfs/dbraw/zinc/44/46/08/165444608.db2.gz DGWUQQZQADNIDY-RYSNWHEDSA-N 0 0 327.425 0.726 10 0 ECAERN Cn1cc([C@@]2(C)CN(c3ncccc3S(N)(=O)=O)CCO2)cn1 ZINC000301663301 296889843 /nfs/dbraw/zinc/88/98/43/296889843.db2.gz NJCFIIIOILCHTI-CQSZACIVSA-N 0 0 337.405 0.215 10 0 ECAERN Cc1c(C(=O)N2C[C@@H]3OCCN(C)[C@H]3C2)cccc1N1CCNC1=O ZINC000124000351 222362780 /nfs/dbraw/zinc/36/27/80/222362780.db2.gz VOMLZIKXSUCMMF-HOTGVXAUSA-N 0 0 344.415 0.680 10 0 ECAERN CC[C@@H]1CN(S(=O)(=O)CC[C@@H]2CCCO2)CCN1C[C@H](C)O ZINC000246218166 545938744 /nfs/dbraw/zinc/93/87/44/545938744.db2.gz UHEACNBSAGLNQI-ZNMIVQPWSA-N 0 0 334.482 0.662 10 0 ECAERN CCOCCN1CCN(C(=O)[C@@H](CC)N2CCCC2=O)C[C@H]1C ZINC000173663349 263148793 /nfs/dbraw/zinc/14/87/93/263148793.db2.gz OYUINQZMSAJVEM-HUUCEWRRSA-N 0 0 325.453 0.957 10 0 ECAERN CC[C@@H](CCO)NC(=O)NC[C@H]1CCCN1c1cc(NC)ncn1 ZINC000175238653 263151676 /nfs/dbraw/zinc/15/16/76/263151676.db2.gz FRBUCDYYMBDPDN-QWHCGFSZSA-N 0 0 336.440 0.947 10 0 ECAERN CC[C@@H](CCO)NC(=O)NC[C@@H]1CCCN1c1cc(NC)ncn1 ZINC000175238617 263151801 /nfs/dbraw/zinc/15/18/01/263151801.db2.gz FRBUCDYYMBDPDN-STQMWFEESA-N 0 0 336.440 0.947 10 0 ECAERN C[C@@H]1COCC[C@H]1C(=O)N1CCN(c2ccc3nncn3n2)CC1 ZINC000192593480 263165707 /nfs/dbraw/zinc/16/57/07/263165707.db2.gz FYYHBDNUFLWHAD-CHWSQXEVSA-N 0 0 330.392 0.446 10 0 ECAERN CC(=O)N[C@H]1CCCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000193890843 263167708 /nfs/dbraw/zinc/16/77/08/263167708.db2.gz HDZWCJYBTQXZAE-JTQLQIEISA-N 0 0 338.389 0.145 10 0 ECAERN C[C@H]1NC(=O)CC[C@H]1NS(=O)(=O)c1cnn(Cc2ccccc2)c1 ZINC000282601042 264052551 /nfs/dbraw/zinc/05/25/51/264052551.db2.gz QSGOOHDJFNGBFF-IUODEOHRSA-N 0 0 348.428 0.877 10 0 ECAERN CO[C@H]1C[C@@H](C(N)=O)N(C(=O)Cc2ccc(-n3cccn3)cc2)C1 ZINC000284484622 264218910 /nfs/dbraw/zinc/21/89/10/264218910.db2.gz CDAAVOOPZFGULA-GJZGRUSLSA-N 0 0 328.372 0.516 10 0 ECAERN COc1cccc2[nH]cc(CC(=O)N3C[C@@H](OC)C[C@H]3C(N)=O)c21 ZINC000284548223 264225764 /nfs/dbraw/zinc/22/57/64/264225764.db2.gz IGWWVAIMGLICIQ-AAEUAGOBSA-N 0 0 331.372 0.820 10 0 ECAERN CC(=O)NC1CN(C(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2ccccc2)C1 ZINC000191493804 278091119 /nfs/dbraw/zinc/09/11/19/278091119.db2.gz TWTGSNYOORQGBI-NVXWUHKLSA-N 0 0 329.400 0.943 10 0 ECAERN CC(=O)OC[C@H]1O[C@H](OC(C)=O)[C@](C)(OC(C)=O)[C@@H]1OC(C)=O ZINC000079016755 278219949 /nfs/dbraw/zinc/21/99/49/278219949.db2.gz RVXADQSOQHONLK-YIYPIFLZSA-N 0 0 332.305 0.091 10 0 ECAERN CC(C)N(C)Cc1nnc2n1CCCN(S(=O)(=O)C1CC1)C2 ZINC000096084751 279384898 /nfs/dbraw/zinc/38/48/98/279384898.db2.gz GTPPWKPDHYFJRU-UHFFFAOYSA-N 0 0 327.454 0.816 10 0 ECAERN O=C(NC[C@@H](O)CN1CCOCC1)c1ccc(Br)nc1 ZINC000132940484 279847704 /nfs/dbraw/zinc/84/77/04/279847704.db2.gz UHLNZHFRVPZCEO-LLVKDONJSA-N 0 0 344.209 0.267 10 0 ECAERN O=C(Nc1nc2c(s1)CCCC2)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000193104661 280057139 /nfs/dbraw/zinc/05/71/39/280057139.db2.gz CONAFBRUQGSHIA-VIFPVBQESA-N 0 0 346.416 0.683 10 0 ECAERN Cc1cc(C(=O)N2C[C@H](C)O[C@@H](C)C2)nc2c1c(=O)n(C)c(=O)n2C ZINC000154607423 280343105 /nfs/dbraw/zinc/34/31/05/280343105.db2.gz DJGLUUVGKXAVLA-QWRGUYRKSA-N 0 0 346.387 0.190 10 0 ECAERN NC(=O)[C@H]1COCCN1C(=O)c1cccc(Br)c1F ZINC000192200090 295159429 /nfs/dbraw/zinc/15/94/29/295159429.db2.gz MBJBQWCDEUBELT-SECBINFHSA-N 0 0 331.141 0.915 10 0 ECAERN NCC(F)(F)CNC(=O)CC[S@@](=O)c1ccc2c(c1)OCCO2 ZINC000190263461 295218845 /nfs/dbraw/zinc/21/88/45/295218845.db2.gz VHTQDCVEQRGVPW-HSZRJFAPSA-N 0 0 348.371 0.666 10 0 ECAERN CO[C@H]1C[C@@H](C(N)=O)N(C(=O)CCc2cnn(-c3ccccc3)c2)C1 ZINC000345071327 298114551 /nfs/dbraw/zinc/11/45/51/298114551.db2.gz KXBRVKNKLADKKO-HOTGVXAUSA-N 0 0 342.399 0.906 10 0 ECAERN COc1cccc(CC(=O)N[C@@H]2CC(=O)N(C)[C@H]2c2ccnn2C)n1 ZINC000347747550 298499904 /nfs/dbraw/zinc/49/99/04/298499904.db2.gz PQRKVYYHWDZAPU-SJKOYZFVSA-N 0 0 343.387 0.454 10 0 ECAERN NC(=O)[C@@H]1CC[C@H](CNC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)O1 ZINC000362801652 300222549 /nfs/dbraw/zinc/22/25/49/300222549.db2.gz HCAARZORXAUPNP-NFFDBFGFSA-N 0 0 325.409 0.356 10 0 ECAERN C[C@@H]1CN(C(=O)[C@@H]2OCC(=O)N(C)[C@@H]2c2ccccc2)CC[C@H]1O ZINC000365457168 300455853 /nfs/dbraw/zinc/45/58/53/300455853.db2.gz GXNZCHNAIZEUJF-ODVANORSSA-N 0 0 332.400 0.814 10 0 ECAERN C[C@@H]1CN(C(=O)[C@@H](NC(N)=O)C(C)(C)C)C[C@@H]1N1CCOCC1 ZINC000367398531 300613710 /nfs/dbraw/zinc/61/37/10/300613710.db2.gz IJTBEYMGDSXELS-FRRDWIJNSA-N 0 0 326.441 0.249 10 0 ECAERN Cn1ccnc1[C@@H]1CN(C(=O)N[C@H]2CCc3n[nH]cc3C2)CCN1C ZINC000369668167 300758870 /nfs/dbraw/zinc/75/88/70/300758870.db2.gz XSXUQDUGOXXLTB-ZFWWWQNUSA-N 0 0 343.435 0.699 10 0 ECAERN Cc1nnc2n1CCN(C(=O)CCN1C(=O)c3ccccc3C1=O)C2 ZINC000074815842 436141959 /nfs/dbraw/zinc/14/19/59/436141959.db2.gz OASNTRYEUZEIPF-UHFFFAOYSA-N 0 0 339.355 0.615 10 0 ECAERN CNC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccs1 ZINC000025598325 436153849 /nfs/dbraw/zinc/15/38/49/436153849.db2.gz OQNVKQBTOFUKBO-ZDUSSCGKSA-N 0 0 345.424 0.951 10 0 ECAERN C[C@H]1C(=O)NCCCN1C(=O)c1ccc([C@]2(C)NC(=O)NC2=O)cc1 ZINC000373763420 301080602 /nfs/dbraw/zinc/08/06/02/301080602.db2.gz PJHUELOEJUICHH-BTDLBPIBSA-N 0 0 344.371 0.092 10 0 ECAERN Cc1cc(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000174849797 301120454 /nfs/dbraw/zinc/12/04/54/301120454.db2.gz NDTNAIMDSICOPB-QWRGUYRKSA-N 0 0 343.387 0.641 10 0 ECAERN Cn1cc(S(=O)(=O)NCCN2CCO[C@@H]3CCCC[C@@H]32)cn1 ZINC000075640262 436170161 /nfs/dbraw/zinc/17/01/61/436170161.db2.gz QNJKXZBYPYUOGW-UONOGXRCSA-N 0 0 328.438 0.342 10 0 ECAERN CNc1ccc(C(=O)N2CC[C@@H](Nc3ccc4nccn4n3)C2)cn1 ZINC000376024286 301228739 /nfs/dbraw/zinc/22/87/39/301228739.db2.gz OZDBRGUYPJMHQC-CYBMUJFWSA-N 0 0 337.387 0.336 10 0 ECAERN Cc1ccc(-c2nnn(CC(=O)NC[C@@H](C)N3CCOCC3)n2)cc1 ZINC000076149011 436191974 /nfs/dbraw/zinc/19/19/74/436191974.db2.gz TTZQETFWEYESDA-CQSZACIVSA-N 0 0 344.419 0.485 10 0 ECAERN CC(C)(C)OC(=O)N1CCN(C(=O)CSc2nc[nH]n2)CC1 ZINC000042026574 436293844 /nfs/dbraw/zinc/29/38/44/436293844.db2.gz DFNHLEBVQJWYHG-UHFFFAOYSA-N 0 0 327.410 0.976 10 0 ECAERN O=C(NC[C@@H]1CCCC[C@H]1O)C(=O)Nc1cccnc1-n1cccn1 ZINC000077937441 436256431 /nfs/dbraw/zinc/25/64/31/436256431.db2.gz DLOGJRIUCUTDOC-GXTWGEPZSA-N 0 0 343.387 0.873 10 0 ECAERN O=C(COc1ccccc1)N1CCN(c2ccc3nncn3n2)CC1 ZINC000038510371 436262154 /nfs/dbraw/zinc/26/21/54/436262154.db2.gz KGTIEBIXGALYOF-UHFFFAOYSA-N 0 0 338.371 0.852 10 0 ECAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000081580605 436350736 /nfs/dbraw/zinc/35/07/36/436350736.db2.gz OWHKPNLDZOZPFH-ZJUUUORDSA-N 0 0 345.325 0.948 10 0 ECAERN C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCCn1ccnc1 ZINC000080303275 436315973 /nfs/dbraw/zinc/31/59/73/436315973.db2.gz DHGBUGJXMOMENO-NSHDSACASA-N 0 0 347.400 0.127 10 0 ECAERN Cc1c(C(=O)N2CCOC[C@H]2C(N)=O)cnn1-c1ccccc1C ZINC000091781066 436460298 /nfs/dbraw/zinc/46/02/98/436460298.db2.gz CQRPGWQVZXHAPE-HNNXBMFYSA-N 0 0 328.372 0.815 10 0 ECAERN Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1CCOC[C@@H]1C(N)=O ZINC000091783361 436460429 /nfs/dbraw/zinc/46/04/29/436460429.db2.gz WRMGAKUQRNVVNL-MRXNPFEDSA-N 0 0 342.399 0.744 10 0 ECAERN C[C@@H](Oc1ccc(F)cc1Cl)C(=O)N1CCOC[C@H]1C(N)=O ZINC000091780638 436460535 /nfs/dbraw/zinc/46/05/35/436460535.db2.gz FJZIVYLZWKVKEA-KCJUWKMLSA-N 0 0 330.743 0.959 10 0 ECAERN CC(=O)NCCN1CCN(c2ncnc3cc(C(N)=O)sc32)CC1 ZINC000095590148 436499120 /nfs/dbraw/zinc/49/91/20/436499120.db2.gz CYKFBJNULRRZFT-UHFFFAOYSA-N 0 0 348.432 0.048 10 0 ECAERN Cc1cc(C)n(C[C@@H](C)NC(=O)CN(C)c2ncnc3nc[nH]c32)n1 ZINC000095954292 436501823 /nfs/dbraw/zinc/50/18/23/436501823.db2.gz HBNWQDUXINWJBH-LLVKDONJSA-N 0 0 342.407 0.807 10 0 ECAERN CC(=O)N[C@H]1CCCN(S(=O)(=O)c2cccc3nsnc32)C1 ZINC000096998442 436536400 /nfs/dbraw/zinc/53/64/00/436536400.db2.gz KGJSIYMUFOYYFM-JTQLQIEISA-N 0 0 340.430 0.981 10 0 ECAERN COCCc1noc(CO[C@@H]2CCCN(C(=O)c3ccnn3C)C2)n1 ZINC000097942617 436544607 /nfs/dbraw/zinc/54/46/07/436544607.db2.gz LIKNLXRDCWTVTG-GFCCVEGCSA-N 0 0 349.391 0.813 10 0 ECAERN C[C@@H](NC(=O)c1ccco1)C(=O)N[C@H]1CCCN(c2ncccn2)C1 ZINC000054016231 436544576 /nfs/dbraw/zinc/54/45/76/436544576.db2.gz VOWZPALSZGUYDI-OLZOCXBDSA-N 0 0 343.387 0.973 10 0 ECAERN C[C@H](NC(=O)N1CCN([C@@H](C)C(=O)NC2CC2)CC1)[C@@H]1CCCO1 ZINC000103509013 436555379 /nfs/dbraw/zinc/55/53/79/436555379.db2.gz JRXPALSSBCRTSJ-YDHLFZDLSA-N 0 0 338.452 0.548 10 0 ECAERN COC(=O)C1(NC(=O)CN2CCC[C@H](n3cncn3)C2)CCCCC1 ZINC000105898938 436587144 /nfs/dbraw/zinc/58/71/44/436587144.db2.gz AEFPKYSLGAZHKR-AWEZNQCLSA-N 0 0 349.435 0.907 10 0 ECAERN CN(C)C(=O)Cn1cc(C(=O)N[C@H]2CCOc3ccccc32)nn1 ZINC000056970858 436599172 /nfs/dbraw/zinc/59/91/72/436599172.db2.gz XXRWQAOZZMPAGM-LBPRGKRZSA-N 0 0 329.360 0.620 10 0 ECAERN COc1ccc([C@H]2[C@@H](S(=O)(=O)N3CCOCC3)CON2C)cc1 ZINC000106680636 436600485 /nfs/dbraw/zinc/60/04/85/436600485.db2.gz VKIZWRWZLPHQSY-GJZGRUSLSA-N 0 0 342.417 0.644 10 0 ECAERN COCCCOc1ccc(C(=O)N[C@H]2CCc3ncnn3C2)cn1 ZINC000112662057 436634015 /nfs/dbraw/zinc/63/40/15/436634015.db2.gz OAHDEKZBHXDFBJ-ZDUSSCGKSA-N 0 0 331.376 0.833 10 0 ECAERN O=C(NCCN1C(=O)CNC1=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000113372939 436637128 /nfs/dbraw/zinc/63/71/28/436637128.db2.gz RMVJOPFDGYYMFV-IUCAKERBSA-N 0 0 336.314 0.959 10 0 ECAERN Cc1ccc(C(=O)N2CCO[C@H](CN(C)C)C2)cc1S(C)(=O)=O ZINC000116785539 436651461 /nfs/dbraw/zinc/65/14/61/436651461.db2.gz VTDHWDLUYRHWLL-CQSZACIVSA-N 0 0 340.445 0.801 10 0 ECAERN Cc1ccc(-c2cc(C(=O)NC[C@@H](O)CN3CCOCC3)[nH]n2)o1 ZINC000193712953 436653241 /nfs/dbraw/zinc/65/32/41/436653241.db2.gz KSEOWLGNYXKDJR-GFCCVEGCSA-N 0 0 334.376 0.401 10 0 ECAERN O=C(NC[C@H](O)CN1CCOCC1)c1cc(-c2ccncc2)on1 ZINC000193914633 436654333 /nfs/dbraw/zinc/65/43/33/436654333.db2.gz DHXRFHWWMFEYMR-ZDUSSCGKSA-N 0 0 332.360 0.160 10 0 ECAERN CCc1nccn1[C@H]1CCCN(C(=O)CCS(=O)(=O)N(C)C)C1 ZINC000136958684 436654664 /nfs/dbraw/zinc/65/46/64/436654664.db2.gz NLQJOLVVMTZRBX-ZDUSSCGKSA-N 0 0 342.465 0.891 10 0 ECAERN NC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)NCC(F)(F)F ZINC000193864111 436654931 /nfs/dbraw/zinc/65/49/31/436654931.db2.gz DXVHPKVQBBTOOA-JTQLQIEISA-N 0 0 346.309 0.061 10 0 ECAERN C[C@H](COCc1ccccc1)NS(=O)(=O)[C@H](C)C(=O)N(C)C ZINC000193966670 436655886 /nfs/dbraw/zinc/65/58/86/436655886.db2.gz UWIHRQRLXPHQHC-CHWSQXEVSA-N 0 0 328.434 0.988 10 0 ECAERN NS(=O)(=O)CCNC(=O)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000136998130 436656249 /nfs/dbraw/zinc/65/62/49/436656249.db2.gz KYBQFDIXMVIPDZ-JTQLQIEISA-N 0 0 339.339 0.748 10 0 ECAERN O=C(NCCn1ccnc1)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000117021809 436656290 /nfs/dbraw/zinc/65/62/90/436656290.db2.gz ZPUWMTSYIRHNQB-QGZVFWFLSA-N 0 0 343.431 0.944 10 0 ECAERN Cc1cnn(CCNC(=O)CCNS(=O)(=O)c2ccccc2)c1 ZINC000117817026 436658555 /nfs/dbraw/zinc/65/85/55/436658555.db2.gz CPFJMJYYAOSJNV-UHFFFAOYSA-N 0 0 336.417 0.676 10 0 ECAERN O=C(Nc1ccnn1Cc1ccccn1)C(=O)N1CCC[C@@H]1CO ZINC000121124041 436708337 /nfs/dbraw/zinc/70/83/37/436708337.db2.gz NVKVNBXZRRKITB-CYBMUJFWSA-N 0 0 329.360 0.248 10 0 ECAERN CN1CCO[C@@H](CNC(=O)C(=O)Nc2cc(F)ccc2Cl)C1 ZINC000118115230 436660829 /nfs/dbraw/zinc/66/08/29/436660829.db2.gz HQWLNZKEKSWEPT-JTQLQIEISA-N 0 0 329.759 0.864 10 0 ECAERN O=C(NCC[S@@](=O)Cc1ccccc1)N[C@@H]1CCc2ncnn2C1 ZINC000120359475 436684551 /nfs/dbraw/zinc/68/45/51/436684551.db2.gz VVDYQQCXKNMGSX-SHACYNPGSA-N 0 0 347.444 0.841 10 0 ECAERN CN(C(=O)CN1CCCCC1=O)[C@H]1CCCN(c2cccnn2)C1 ZINC000122344298 436734022 /nfs/dbraw/zinc/73/40/22/436734022.db2.gz JZSRATREXNQOQU-AWEZNQCLSA-N 0 0 331.420 0.916 10 0 ECAERN CCn1cc(NC(=O)[C@H](C)NC2=NS(=O)(=O)c3ccccc32)cn1 ZINC000124324158 436748340 /nfs/dbraw/zinc/74/83/40/436748340.db2.gz SFFNNTHCLALXQB-JTQLQIEISA-N 0 0 347.400 0.969 10 0 ECAERN C[C@H](CNC(=O)NC[C@](C)(O)c1cccs1)N1CCOCC1 ZINC000153621448 436759785 /nfs/dbraw/zinc/75/97/85/436759785.db2.gz LECPSUPMORZLPI-DOMZBBRYSA-N 0 0 327.450 0.976 10 0 ECAERN C[C@@H](CNC(=O)NC[C@@](C)(O)c1cccs1)N1CCOCC1 ZINC000153621563 436760168 /nfs/dbraw/zinc/76/01/68/436760168.db2.gz LECPSUPMORZLPI-SWLSCSKDSA-N 0 0 327.450 0.976 10 0 ECAERN COc1c(CNC(=O)N2CC(=O)N[C@H]3CCCC[C@H]32)c(C)nn1C ZINC000153763797 436761961 /nfs/dbraw/zinc/76/19/61/436761961.db2.gz LMQXXAIAHAMLRL-QWHCGFSZSA-N 0 0 335.408 0.690 10 0 ECAERN C[C@@H](CNC(=O)N1CC[C@@H](Oc2ccncc2)C1)N1CCOCC1 ZINC000153839904 436763452 /nfs/dbraw/zinc/76/34/52/436763452.db2.gz UFZSRMMYMFSDRZ-GOEBONIOSA-N 0 0 334.420 0.965 10 0 ECAERN CNc1c(Cl)ncnc1N1CCN(CCS(C)(=O)=O)CC1 ZINC000125113953 436763810 /nfs/dbraw/zinc/76/38/10/436763810.db2.gz APGHJLGFNJQZPZ-UHFFFAOYSA-N 0 0 333.845 0.338 10 0 ECAERN C[C@@H](CO)[C@@H](C)NC(=O)[C@H]1CCC[C@H]1C(=O)N[C@@H](C)[C@H](C)CO ZINC000245903385 436769668 /nfs/dbraw/zinc/76/96/68/436769668.db2.gz UMCBRTCWTJMQLR-VWLPUNTISA-N 0 0 328.453 0.669 10 0 ECAERN O=C(CCc1ccccc1)N1CC[C@@H](NC(=O)[C@H]2CNC(=O)C2)C1 ZINC000154899692 436786593 /nfs/dbraw/zinc/78/65/93/436786593.db2.gz HUQPNNIFOMSMFY-HUUCEWRRSA-N 0 0 329.400 0.472 10 0 ECAERN C[C@@H]1CN(C(=O)Nc2cnc(N(C)C)nc2)C[C@H]1N1CCOCC1 ZINC000154898140 436786596 /nfs/dbraw/zinc/78/65/96/436786596.db2.gz YZIZAGZURLZEHU-TZMCWYRMSA-N 0 0 334.424 0.727 10 0 ECAERN NC(=O)COc1cccc(C(=O)N2CCC[C@@H](Cn3cncn3)C2)c1 ZINC000126671707 436790862 /nfs/dbraw/zinc/79/08/62/436790862.db2.gz ZCMBLVJIMPVHGU-CYBMUJFWSA-N 0 0 343.387 0.695 10 0 ECAERN CCOCCN1CCN(C(=O)c2cc(C(N)=O)cn2C)C[C@@H]1CC ZINC000155235696 436790991 /nfs/dbraw/zinc/79/09/91/436790991.db2.gz ZSQZMNPKAOVKNP-AWEZNQCLSA-N 0 0 336.436 0.697 10 0 ECAERN CC(C)[C@H](O)CC(=O)NCCCN1CCN(c2ncccn2)CC1 ZINC000155238423 436791858 /nfs/dbraw/zinc/79/18/58/436791858.db2.gz ZEOLQXWUJXNJJO-OAHLLOKOSA-N 0 0 335.452 0.512 10 0 ECAERN CCS(=O)(=O)N[C@@H](CCSC)C(=O)N1CC[C@H](CCO)C1 ZINC000126850847 436792827 /nfs/dbraw/zinc/79/28/27/436792827.db2.gz DROQYRNLFDYQJX-NEPJUHHUSA-N 0 0 338.495 0.278 10 0 ECAERN COCCN1CCN(C(=O)NC[C@H]2CC(=O)N(C3CC3)C2)C[C@H]1C ZINC000248421561 436802818 /nfs/dbraw/zinc/80/28/18/436802818.db2.gz YAEWNWAEVIWFFG-ZIAGYGMSSA-N 0 0 338.452 0.359 10 0 ECAERN C[C@@H](NC(=O)c1ccco1)C(=O)N[C@@H](C(N)=O)c1ccc(F)cc1 ZINC000131662403 436855653 /nfs/dbraw/zinc/85/56/53/436855653.db2.gz BSMQZXVGPPBCRZ-NOZJJQNGSA-N 0 0 333.319 0.880 10 0 ECAERN O=C(NC[C@H](O)CN1CCOCC1)c1ccc(-n2ccnc2)cc1 ZINC000129107643 436823922 /nfs/dbraw/zinc/82/39/22/436823922.db2.gz YDPKFRMFZMSMTM-INIZCTEOSA-N 0 0 330.388 0.295 10 0 ECAERN CCS(=O)(=O)NCC(=O)N1CCC[C@H](Cc2noc(C)n2)C1 ZINC000129230445 436825881 /nfs/dbraw/zinc/82/58/81/436825881.db2.gz CHAUSTBQKCMYSP-LLVKDONJSA-N 0 0 330.410 0.098 10 0 ECAERN CN(C)C[C@H]1CN(C(=O)c2csc(S(C)(=O)=O)c2)CCO1 ZINC000163045062 436917284 /nfs/dbraw/zinc/91/72/84/436917284.db2.gz LGKWFMDGQJUOSN-NSHDSACASA-N 0 0 332.447 0.554 10 0 ECAERN COCCN1CCN(C(=O)NC[C@@H](C)CN2CCOCC2)C[C@H]1C ZINC000163457996 436924362 /nfs/dbraw/zinc/92/43/62/436924362.db2.gz AWNGFXVFCCNXFT-HZPDHXFCSA-N 0 0 342.484 0.317 10 0 ECAERN Cc1noc(C2CC2)c1NC(=O)C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000134489375 436898745 /nfs/dbraw/zinc/89/87/45/436898745.db2.gz RJZAWQLDUUNGJL-CYBMUJFWSA-N 0 0 348.403 0.732 10 0 ECAERN COc1cccc(OCCN2CCO[C@@H](C[N@H+](C)CC(=O)[O-])C2)c1 ZINC000263580825 436971205 /nfs/dbraw/zinc/97/12/05/436971205.db2.gz WJQOXQJPGILYBF-INIZCTEOSA-N 0 0 338.404 0.791 10 0 ECAERN Cn1ccnc(N2CCC[C@H](NC(=O)CCc3ccccn3)C2)c1=O ZINC000275474754 436973662 /nfs/dbraw/zinc/97/36/62/436973662.db2.gz AQHMNZBYEKHTOU-HNNXBMFYSA-N 0 0 341.415 0.893 10 0 ECAERN Cn1cc(CC(=O)N2CCN(C[C@H](O)c3ccccc3)CC2)cn1 ZINC000171558883 436980723 /nfs/dbraw/zinc/98/07/23/436980723.db2.gz QZSAFPAYXBLQRT-KRWDZBQOSA-N 0 0 328.416 0.840 10 0 ECAERN O=C(CCc1ccncc1)N1CCN(c2ccc3nncn3n2)CC1 ZINC000136387016 436931068 /nfs/dbraw/zinc/93/10/68/436931068.db2.gz QCBOWTUHRYGBHR-UHFFFAOYSA-N 0 0 337.387 0.801 10 0 ECAERN Cc1nnc([C@@H]2CN(C(=O)NCc3cccc(N(C)C)n3)CCO2)[nH]1 ZINC000164151608 436931303 /nfs/dbraw/zinc/93/13/03/436931303.db2.gz HGDSYANRWHDOCM-ZDUSSCGKSA-N 0 0 345.407 0.857 10 0 ECAERN COC(=O)CN1C(=O)[C@@]2(CCCN2C(=O)OC(C)(C)C)C[C@@H]1O ZINC000136373364 436931783 /nfs/dbraw/zinc/93/17/83/436931783.db2.gz MRHMNHAWMWGNBF-ZUZCIYMTSA-N 0 0 328.365 0.480 10 0 ECAERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(-n2cccn2)cc1 ZINC000166834180 436938985 /nfs/dbraw/zinc/93/89/85/436938985.db2.gz XWYDLWLXSVHXNF-AWEZNQCLSA-N 0 0 341.371 0.548 10 0 ECAERN COc1ccc(CC(=O)N2CCO[C@@H](C[N@H+](C)CC(=O)[O-])C2)cc1 ZINC000262969698 436945942 /nfs/dbraw/zinc/94/59/42/436945942.db2.gz RQNPWOWOEKLKQQ-HNNXBMFYSA-N 0 0 336.388 0.482 10 0 ECAERN CN1CCN(C[C@@H](O)COc2cccc(Br)c2)CC1=O ZINC000172659505 437023682 /nfs/dbraw/zinc/02/36/82/437023682.db2.gz CEGAPOYNGPMMCY-GFCCVEGCSA-N 0 0 343.221 0.963 10 0 ECAERN O=C(NC[C@H]1CCCC[C@H]1O)C(=O)Nc1ccc(-n2nccn2)cc1 ZINC000172664880 437025451 /nfs/dbraw/zinc/02/54/51/437025451.db2.gz ODMBPCNJTDYFLQ-IUODEOHRSA-N 0 0 343.387 0.873 10 0 ECAERN Cc1cc(C)n(CC(=O)N2CCCN(Cc3noc(C)n3)CC2)n1 ZINC000171787657 436989622 /nfs/dbraw/zinc/98/96/22/436989622.db2.gz GBIUEJGTUSQFEP-UHFFFAOYSA-N 0 0 332.408 0.926 10 0 ECAERN COc1ccc(OCCNC(=O)N[C@@H]2CCc3ncnn3C2)cc1 ZINC000171866405 436989723 /nfs/dbraw/zinc/98/97/23/436989723.db2.gz QNKCKKQANQBOQL-GFCCVEGCSA-N 0 0 331.376 0.980 10 0 ECAERN COCCN1CCN(C(=O)NCC(=O)N2CCCCC2)C[C@H]1C ZINC000172325441 437011008 /nfs/dbraw/zinc/01/10/08/437011008.db2.gz WXOBTFKBTYZLKE-CQSZACIVSA-N 0 0 326.441 0.361 10 0 ECAERN Cc1nnc([C@H]2CN(C(=O)c3cnn(C)c3-n3cccc3)CCO2)[nH]1 ZINC000173526347 437055418 /nfs/dbraw/zinc/05/54/18/437055418.db2.gz JDZMFAQDBJBGNF-CYBMUJFWSA-N 0 0 341.375 0.851 10 0 ECAERN O=C(Nc1ccc2n[nH]cc2c1)C(=O)N1CCC[C@H](n2cncn2)C1 ZINC000173693336 437060175 /nfs/dbraw/zinc/06/01/75/437060175.db2.gz PFLDRPQPMGEUFH-ZDUSSCGKSA-N 0 0 339.359 0.957 10 0 ECAERN CCOC(=O)CCS(=O)(=O)N1CCC[C@H]1Cn1ccnc1C ZINC000173745011 437061271 /nfs/dbraw/zinc/06/12/71/437061271.db2.gz QAIFSQOVDHRDDL-ZDUSSCGKSA-N 0 0 329.422 0.939 10 0 ECAERN CC(=O)NCCCCCC(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000173802953 437064379 /nfs/dbraw/zinc/06/43/79/437064379.db2.gz ZUTWHFNTEZOFCR-ZBFHGGJFSA-N 0 0 325.453 0.862 10 0 ECAERN C[C@@H]1CN(C(=O)CCNC(=O)c2ccco2)C[C@H]1N1CCOCC1 ZINC000173826055 437065778 /nfs/dbraw/zinc/06/57/78/437065778.db2.gz KPXUZHOUJNPIQD-ZIAGYGMSSA-N 0 0 335.404 0.579 10 0 ECAERN NC(=O)c1ccc(CNC(=O)N2CCC[C@@H](n3cncn3)C2)cc1 ZINC000173936467 437067968 /nfs/dbraw/zinc/06/79/68/437067968.db2.gz DTIKBEMGBYNPMG-CQSZACIVSA-N 0 0 328.376 0.924 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)N1CCC(CC(=O)NC)CC1)CC2 ZINC000174264276 437076450 /nfs/dbraw/zinc/07/64/50/437076450.db2.gz KGIFOBFLIGXWIU-ZDUSSCGKSA-N 0 0 348.451 0.713 10 0 ECAERN CCN(CC)S(=O)(=O)CC(=O)N1CCC[C@@H]1c1cnn(C)c1 ZINC000174612328 437082990 /nfs/dbraw/zinc/08/29/90/437082990.db2.gz MJDUYULNABDADC-CYBMUJFWSA-N 0 0 328.438 0.755 10 0 ECAERN CCCCCS(=O)(=O)CC(=O)N1CCN(C[C@@H](C)O)[C@@H](CC)C1 ZINC000174631553 437082184 /nfs/dbraw/zinc/08/21/84/437082184.db2.gz KOZYXEKCIQFFLB-CABCVRRESA-N 0 0 348.509 0.895 10 0 ECAERN NC(=O)[C@@H]1COCCN1C(=O)[C@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000248657550 303306984 /nfs/dbraw/zinc/30/69/84/303306984.db2.gz XJTFFRHSXBIHCT-AUTRQRHGSA-N 0 0 328.290 0.920 10 0 ECAERN Cc1nnc([C@@H]2CN(C(=O)NCC[S@](=O)C(C)(C)C)CCO2)[nH]1 ZINC000175546647 437111067 /nfs/dbraw/zinc/11/10/67/437111067.db2.gz IGWOBRLYPMSFHM-RULNZOCKSA-N 0 0 343.453 0.743 10 0 ECAERN CN(C[C@H](O)COCc1ccccc1)C(=O)[C@@H]1CCN(C)C(=O)C1 ZINC000176567012 437148180 /nfs/dbraw/zinc/14/81/80/437148180.db2.gz ATGWMNLGCDIILE-CVEARBPZSA-N 0 0 334.416 0.891 10 0 ECAERN Cn1cc(C(N)=O)cc1C(=O)N[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000176311769 437139600 /nfs/dbraw/zinc/13/96/00/437139600.db2.gz MHBWUDSHLWGTIO-GFCCVEGCSA-N 0 0 347.396 0.773 10 0 ECAERN CNC(=O)Cc1nc(CN2C[C@H](N3CCOCC3)[C@@H](C)C2)cs1 ZINC000177275499 437175176 /nfs/dbraw/zinc/17/51/76/437175176.db2.gz WBZCWCCUXPIGSN-JSGCOSHPSA-N 0 0 338.477 0.584 10 0 ECAERN CNC(=O)Cc1nc(CN2C[C@@H](C)[C@@H](N3CCOCC3)C2)cs1 ZINC000177275476 437175712 /nfs/dbraw/zinc/17/57/12/437175712.db2.gz WBZCWCCUXPIGSN-OCCSQVGLSA-N 0 0 338.477 0.584 10 0 ECAERN CN(C)c1ccccc1NC(=O)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000177625935 437192577 /nfs/dbraw/zinc/19/25/77/437192577.db2.gz BHTHSHJDHQOXMA-NSHDSACASA-N 0 0 328.376 0.414 10 0 ECAERN CNC(=O)[C@H](NC(=O)N[C@H](C)C(=O)NCc1ccccc1)C(C)C ZINC000178399016 437213522 /nfs/dbraw/zinc/21/35/22/437213522.db2.gz HKGUKXIEVOIVKF-TZMCWYRMSA-N 0 0 334.420 0.761 10 0 ECAERN CNC(=O)[C@H](NC(=O)NCCNC(=O)c1ccccc1F)C(C)C ZINC000178423508 437213845 /nfs/dbraw/zinc/21/38/45/437213845.db2.gz PQSSVDWMJYGEFZ-CYBMUJFWSA-N 0 0 338.383 0.625 10 0 ECAERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1cccc2cccnc21 ZINC000178396409 437213995 /nfs/dbraw/zinc/21/39/95/437213995.db2.gz SVVOQWZCWPMNKB-ZDUSSCGKSA-N 0 0 326.356 0.910 10 0 ECAERN CNC(=O)[C@H](NC(=O)NCCCN1CCCCCC1=O)C(C)C ZINC000178405624 437214416 /nfs/dbraw/zinc/21/44/16/437214416.db2.gz NAOLQSCUKYOSRC-CQSZACIVSA-N 0 0 326.441 0.849 10 0 ECAERN CNC(=O)CNC(=O)NC[C@H](c1ccc(C)s1)N1CCOCC1 ZINC000178455144 437215601 /nfs/dbraw/zinc/21/56/01/437215601.db2.gz HIMYGUSQDIDAJD-GFCCVEGCSA-N 0 0 340.449 0.475 10 0 ECAERN C=CC(=O)NCCC(=O)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000178524954 437217623 /nfs/dbraw/zinc/21/76/23/437217623.db2.gz LSEIHFCRUIPBBY-MRXNPFEDSA-N 0 0 331.416 0.557 10 0 ECAERN CCn1cc([C@@H]2CS(=O)(=O)CCN2C(=O)[C@H]2CC[C@@H](C)O2)cn1 ZINC000328638466 437243289 /nfs/dbraw/zinc/24/32/89/437243289.db2.gz WLCIRXKBZCIGRE-KWCYVHTRSA-N 0 0 341.433 0.769 10 0 ECAERN Cc1cccc(OC[C@H](O)CN2CCO[C@@H](c3nncn3C)C2)c1 ZINC000328639467 437245133 /nfs/dbraw/zinc/24/51/33/437245133.db2.gz PNYMDZBFXNLYIS-GDBMZVCRSA-N 0 0 332.404 0.937 10 0 ECAERN O=C(CN1C[C@H](O)C[C@@H]1CO)Nc1ccc(Br)cn1 ZINC000179169580 437254030 /nfs/dbraw/zinc/25/40/30/437254030.db2.gz HBIHXRPEDNEYSJ-NXEZZACHSA-N 0 0 330.182 0.210 10 0 ECAERN CCNC(=O)c1cccc(CNC(=O)N2CCC[C@H]2C(=O)NC)c1 ZINC000179245071 437255406 /nfs/dbraw/zinc/25/54/06/437255406.db2.gz LSTOGSGTKOAYIT-AWEZNQCLSA-N 0 0 332.404 0.856 10 0 ECAERN O=C(CN1C[C@@H](O)C[C@@H]1CO)Nc1nc2ccc(F)cc2s1 ZINC000179179190 437255740 /nfs/dbraw/zinc/25/57/40/437255740.db2.gz DDRGIKUMCCGFRZ-ZJUUUORDSA-N 0 0 325.365 0.801 10 0 ECAERN COc1cc(NC(=O)N2CCCN(Cc3cnn(C)c3)CC2)ncn1 ZINC000182207015 437342099 /nfs/dbraw/zinc/34/20/99/437342099.db2.gz ITBCSPXNHVUOIA-UHFFFAOYSA-N 0 0 345.407 0.959 10 0 ECAERN COCCCCS(=O)(=O)N1CCCN(Cc2noc(C)n2)CC1 ZINC000184963434 437419935 /nfs/dbraw/zinc/41/99/35/437419935.db2.gz RZEBWWXUSRDFFO-UHFFFAOYSA-N 0 0 346.453 0.642 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)NCc2ccc(CO)c(F)c2)CC1 ZINC000185005653 437422021 /nfs/dbraw/zinc/42/20/21/437422021.db2.gz UBVRFLNIJLFIQV-HNNXBMFYSA-N 0 0 339.411 0.916 10 0 ECAERN CCc1nnc([C@@H]2CN(C(=O)c3ccc4nnn(C)c4c3)CCO2)[nH]1 ZINC000185361300 437436975 /nfs/dbraw/zinc/43/69/75/437436975.db2.gz YKNBMMYOECJYQE-ZDUSSCGKSA-N 0 0 341.375 0.863 10 0 ECAERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1cnn([C@H](C)C2CC2)c1 ZINC000187355222 437501810 /nfs/dbraw/zinc/50/18/10/437501810.db2.gz FFYQHPOXXXCSIA-MFKMUULPSA-N 0 0 333.392 0.530 10 0 ECAERN CC(C)c1nnc2n1C[C@@H](NC(=O)N1CCN(C)C(=O)[C@@H]1C)CC2 ZINC000187782873 437516637 /nfs/dbraw/zinc/51/66/37/437516637.db2.gz QQHSMTTYSQZFPR-RYUDHWBXSA-N 0 0 334.424 0.588 10 0 ECAERN C[C@@H](C1CC1)n1cc(NC(=O)C(=O)N2CC(NC(=O)C3CC3)C2)cn1 ZINC000187990109 437522318 /nfs/dbraw/zinc/52/23/18/437522318.db2.gz RVQKUTQHUJJUFZ-JTQLQIEISA-N 0 0 345.403 0.530 10 0 ECAERN COCC(=O)NC1CN(C(=O)NCCCN(C)c2ccccc2)C1 ZINC000188199785 437534248 /nfs/dbraw/zinc/53/42/48/437534248.db2.gz ZSAQKLROOCZCJB-UHFFFAOYSA-N 0 0 334.420 0.669 10 0 ECAERN CCN(CCNC(=O)N1CC(NC(=O)COC)C1)c1cccc(C)c1 ZINC000188200715 437534549 /nfs/dbraw/zinc/53/45/49/437534549.db2.gz CHWKJPIHVSENEJ-UHFFFAOYSA-N 0 0 348.447 0.978 10 0 ECAERN Cc1c(CN2C[C@H](COCC(=O)N(C)C)OC(C)(C)C2)cnn1C ZINC000343342666 437564488 /nfs/dbraw/zinc/56/44/88/437564488.db2.gz NVWKDAXIGJOWCZ-OAHLLOKOSA-N 0 0 338.452 0.813 10 0 ECAERN CO[C@H](C)[C@H](C)NC(=O)N[C@@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000188808803 437572407 /nfs/dbraw/zinc/57/24/07/437572407.db2.gz AMAKOAZHNJTREL-YNEHKIRRSA-N 0 0 337.424 0.947 10 0 ECAERN C[C@H](c1nnnn1C)N1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000189213296 437587849 /nfs/dbraw/zinc/58/78/49/437587849.db2.gz AYOZQIUZPWUOPS-HUUCEWRRSA-N 0 0 346.435 0.329 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)[C@H](C)NC(=O)CC(C)(C)C)CC1 ZINC000189302001 437591234 /nfs/dbraw/zinc/59/12/34/437591234.db2.gz BAEKDDZTOXMPHJ-KBPBESRZSA-N 0 0 327.469 0.842 10 0 ECAERN O=C(c1c[nH]nc1C1CC1)N1CCN(c2ccc3nncn3n2)CC1 ZINC000190458631 437626619 /nfs/dbraw/zinc/62/66/19/437626619.db2.gz GQYDFHQDFROSLU-UHFFFAOYSA-N 0 0 338.375 0.687 10 0 ECAERN CCN1C(=O)CC[C@H](C(=O)N2CCO[C@@H](C)C2)[C@H]1c1cnn(C)c1 ZINC000357850002 438081729 /nfs/dbraw/zinc/08/17/29/438081729.db2.gz CCMQPGZQHNEPCK-DUVNUKRYSA-N 0 0 334.420 0.967 10 0 ECAERN COC[C@@H]1CN(C(=O)N[C@@H]2CCCC[C@H]2S(C)(=O)=O)C[C@@H](C)O1 ZINC000366523315 438088568 /nfs/dbraw/zinc/08/85/68/438088568.db2.gz TUKUEDWOYWNVIK-XJFOESAGSA-N 0 0 348.465 0.788 10 0 ECAERN CCC(=O)N1CSC[C@H]1C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000374156529 438192098 /nfs/dbraw/zinc/19/20/98/438192098.db2.gz HCSHISMRFJKYDP-STQMWFEESA-N 0 0 327.450 0.231 10 0 ECAERN COC[C@H]1CN(C(=O)N[C@@H]2CCCC[C@H]2S(C)(=O)=O)CCO1 ZINC000368365883 438321112 /nfs/dbraw/zinc/32/11/12/438321112.db2.gz WJXAUXIRPPMXMF-JHJVBQTASA-N 0 0 334.438 0.399 10 0 ECAERN CN(C)S(=O)(=O)c1ccc(CN2C[C@@H]3[C@H](C2)OCCN3C)cc1 ZINC000352067983 438377878 /nfs/dbraw/zinc/37/78/78/438377878.db2.gz MNHQPNFENAAKOH-CVEARBPZSA-N 0 0 339.461 0.452 10 0 ECAERN O=C(N[C@H]1CCC(=O)N[C@@H]1[C@H]1CCCO1)c1cccc2ncnn21 ZINC000576511566 438785448 /nfs/dbraw/zinc/78/54/48/438785448.db2.gz QKHIOYYZYYCQEG-NVBFEUDRSA-N 0 0 329.360 0.285 10 0 ECAERN Cc1cc(C(=O)NC[C@@H]2CC(=O)N(C)[C@H]2c2nccn2C)nc(C)n1 ZINC000579983682 439053709 /nfs/dbraw/zinc/05/37/09/439053709.db2.gz WNDUKHMXWDKMHV-SWLSCSKDSA-N 0 0 342.403 0.776 10 0 ECAERN Cc1cccn(CC(=O)N2CC[C@](O)(c3cn(C(C)C)nn3)C2)c1=O ZINC000583618768 439488225 /nfs/dbraw/zinc/48/82/25/439488225.db2.gz FMAUJEKYTUSTDM-QGZVFWFLSA-N 0 0 345.403 0.449 10 0 ECAERN C[NH+]1CCN([C@H]2C[C@@H](C(=O)[O-])CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000536960504 439539880 /nfs/dbraw/zinc/53/98/80/439539880.db2.gz VVWDHXQYWKHHHR-OLZOCXBDSA-N 0 0 327.425 0.944 10 0 ECAERN CN(C)C(=O)c1cccc(C(=O)N[C@@H]2C[C@H](O)[C@H]2n2cccn2)c1 ZINC000616771547 439822075 /nfs/dbraw/zinc/82/20/75/439822075.db2.gz XWWHQXCBGMZUBK-ILXRZTDVSA-N 0 0 328.372 0.689 10 0 ECAERN CC1(C)NC(=O)CC[C@@H]1NC(=O)c1cncc(N2CCCC2=O)c1 ZINC000626967860 439974243 /nfs/dbraw/zinc/97/42/43/439974243.db2.gz KTMZYMNQYOVJLQ-ZDUSSCGKSA-N 0 0 330.388 0.995 10 0 ECAERN CCN1CCO[C@@H](CNC(=O)c2cnc(C)[nH]2)[C@@H]1c1cnn(C)c1 ZINC000618143874 440056406 /nfs/dbraw/zinc/05/64/06/440056406.db2.gz GRLFUTHOCMMJNQ-GJZGRUSLSA-N 0 0 332.408 0.643 10 0 ECAERN CNC(=O)C[C@H]1CS(=O)(=O)CCN1C(=O)c1ccoc1C1CC1 ZINC000644172273 440462129 /nfs/dbraw/zinc/46/21/29/440462129.db2.gz ZUHOSONOUBRPJI-NSHDSACASA-N 0 0 340.401 0.532 10 0 ECAERN Cc1cc(C2(C(=O)N(C)C[C@H]3CN(C)CCO3)CCOCC2)on1 ZINC000633917386 440574640 /nfs/dbraw/zinc/57/46/40/440574640.db2.gz WRAFIJGOKLWYDD-CQSZACIVSA-N 0 0 337.420 0.820 10 0 ECAERN Cc1cc(S(=O)(=O)N[C@@H]2CCNC2=O)sc1Br ZINC000657029829 440927637 /nfs/dbraw/zinc/92/76/37/440927637.db2.gz INTJGSXRHZLCCC-ZCFIWIBFSA-N 0 0 339.236 0.986 10 0 ECAERN CC(=O)NCCCNC(=O)[C@@H]1CC[C@H](C(=O)[O-])N1Cc1ccccc1 ZINC000630660817 440935173 /nfs/dbraw/zinc/93/51/73/440935173.db2.gz ZABLCLNSBTUTNH-JKSUJKDBSA-N 0 0 347.415 0.747 10 0 ECAERN COCc1noc(CN2CCN([C@H]3CCN(C4CC4)C3=O)CC2)n1 ZINC000328600859 320723636 /nfs/dbraw/zinc/72/36/36/320723636.db2.gz DKBFWBVFKRBFOQ-ZDUSSCGKSA-N 0 0 335.408 0.097 10 0 ECAERN Cn1ccnc1[C@@H]1OCC[C@H]1C(=O)N1CCN(Cc2ccon2)CC1 ZINC000329000508 320747423 /nfs/dbraw/zinc/74/74/23/320747423.db2.gz GTABJVSYZJLODW-HUUCEWRRSA-N 0 0 345.403 0.830 10 0 ECAERN Cn1cc([C@@H]2NC(=O)CC[C@H]2NS(=O)(=O)C[C@H]2CCCO2)cn1 ZINC000330043012 320801598 /nfs/dbraw/zinc/80/15/98/320801598.db2.gz HAMCIIVNJCFGEK-BZPMIXESSA-N 0 0 342.421 0.679 10 0 ECAERN Cn1c(=O)cc(C(=O)N2CCN3C(=O)NC[C@@H]3C2)c2ccccc21 ZINC000330307724 320816220 /nfs/dbraw/zinc/81/62/20/320816220.db2.gz SJGKCZJALJOWGU-LLVKDONJSA-N 0 0 326.356 0.593 10 0 ECAERN NC(=O)[C@H]1COCCN1S(=O)(=O)Cc1ccc(F)c(Cl)c1 ZINC000183351452 534463962 /nfs/dbraw/zinc/46/39/62/534463962.db2.gz MNVBSTDCFWYMHU-LLVKDONJSA-N 0 0 336.772 0.495 10 0 ECAERN CC(=O)NC1CN(C(=O)C(=O)Nc2ccc3nc(C4CC4)oc3c2)C1 ZINC000191349020 526704771 /nfs/dbraw/zinc/70/47/71/526704771.db2.gz NNHOHZNYKAZJAP-UHFFFAOYSA-N 0 0 342.355 0.991 10 0 ECAERN CC(=O)NC1CN(C(=O)NCCCC(=O)N2CCc3ccccc32)C1 ZINC000190075639 526707079 /nfs/dbraw/zinc/70/70/79/526707079.db2.gz PDQSGNZDJWQDHO-UHFFFAOYSA-N 0 0 344.415 0.886 10 0 ECAERN CC(=O)NC1CN(C(=O)NCc2ccc(Cn3cncn3)cc2)C1 ZINC000189738473 526708565 /nfs/dbraw/zinc/70/85/65/526708565.db2.gz NFJVJKUWGNFKCT-UHFFFAOYSA-N 0 0 328.376 0.356 10 0 ECAERN CCCN1Cc2cccc(NC(=O)C(=O)N3CC(NC(C)=O)C3)c2C1 ZINC000191350429 528327207 /nfs/dbraw/zinc/32/72/07/528327207.db2.gz QLYMJLIRWKVMPA-UHFFFAOYSA-N 0 0 344.415 0.698 10 0 ECAERN CCCNC(=O)c1cccc(CNC(=O)N2CC(NC(C)=O)C2)c1 ZINC000189825773 528460678 /nfs/dbraw/zinc/46/06/78/528460678.db2.gz UAEJMAQUJUMATF-UHFFFAOYSA-N 0 0 332.404 0.856 10 0 ECAERN CC(C)c1nnc2n1C[C@@H](NC(=O)NCC(=O)NCC1CC1)CC2 ZINC000181690954 528474946 /nfs/dbraw/zinc/47/49/46/528474946.db2.gz BANOYOLCFWCRCM-LBPRGKRZSA-N 0 0 334.424 0.542 10 0 ECAERN CN[C@@H](C(=O)N[C@H]1CCN(c2ccc(C)cc2)C1=O)c1cnn(C)c1 ZINC000262534171 536337087 /nfs/dbraw/zinc/33/70/87/536337087.db2.gz MKYZABSHCKCNLC-JKSUJKDBSA-N 0 0 341.415 0.911 10 0 ECAERN CN(C[C@@H]1CN(C)CCO1)S(=O)(=O)c1ccc2[nH]c(=O)oc2c1 ZINC000074775062 545686556 /nfs/dbraw/zinc/68/65/56/545686556.db2.gz GOIWMWIIZBNGCI-JTQLQIEISA-N 0 0 341.389 0.072 10 0 ECAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)c1ccc(C)c(S(N)(=O)=O)c1 ZINC000082976512 545706488 /nfs/dbraw/zinc/70/64/88/545706488.db2.gz JSRALGRSVYJQBF-LBPRGKRZSA-N 0 0 349.416 0.807 10 0 ECAERN CN1CCO[C@H](CNC(=O)Nc2cnn(Cc3ccccn3)c2)C1 ZINC000175945112 545870525 /nfs/dbraw/zinc/87/05/25/545870525.db2.gz SYHLRMDFWKWDIK-OAHLLOKOSA-N 0 0 330.392 0.779 10 0 ECAERN Cc1ccc(C(=O)N[C@@H]2CCCn3ncnc32)cc1S(N)(=O)=O ZINC000175822076 545870715 /nfs/dbraw/zinc/87/07/15/545870715.db2.gz BOWXSKUQIORBOD-LLVKDONJSA-N 0 0 335.389 0.499 10 0 ECAERN O=C(Nc1cnn(CC2CC2)c1)C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000177957916 545876731 /nfs/dbraw/zinc/87/67/31/545876731.db2.gz HQGISGICVQFDTJ-HNNXBMFYSA-N 0 0 347.419 0.165 10 0 ECAERN Cc1nnc([C@H]2CN(C(=O)[C@H]3[NH2+]CCc4ccccc43)CCO2)[nH]1 ZINC000178847331 545879553 /nfs/dbraw/zinc/87/95/53/545879553.db2.gz IUDNOAJJIKVLNU-CABCVRRESA-N 0 0 327.388 0.900 10 0 ECAERN Cc1ccc(C(=O)N[C@H]2CCCC[C@@H]2CO)cc1S(N)(=O)=O ZINC000179236555 545881926 /nfs/dbraw/zinc/88/19/26/545881926.db2.gz OOSHNZBKCSYFSV-OLZOCXBDSA-N 0 0 326.418 0.923 10 0 ECAERN CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1ccc2c(c1)N(C)CC2 ZINC000180728918 545883931 /nfs/dbraw/zinc/88/39/31/545883931.db2.gz VZLKXUFFXNLSTM-CYBMUJFWSA-N 0 0 330.388 0.354 10 0 ECAERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1cccc(N(C)C)c1C ZINC000180728959 545884474 /nfs/dbraw/zinc/88/44/74/545884474.db2.gz LMBNCTHTGOVAOL-AWEZNQCLSA-N 0 0 332.404 0.737 10 0 ECAERN CNc1cc(N2CCC[C@H]2CNC(=O)NCC2(CO)CCC2)ncn1 ZINC000181867363 545887627 /nfs/dbraw/zinc/88/76/27/545887627.db2.gz LQEAHKCTTGTQGN-ZDUSSCGKSA-N 0 0 348.451 0.949 10 0 ECAERN Cc1cnn(-c2ccc(C(N)=O)cc2NC(=O)C(=O)N[C@H]2C[C@H]2C)c1 ZINC000185773122 545895524 /nfs/dbraw/zinc/89/55/24/545895524.db2.gz VUXPASYZHYYHEV-PWSUYJOCSA-N 0 0 341.371 0.743 10 0 ECAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CCO[C@@](C)(c2ccccc2)C1 ZINC000189279540 545904312 /nfs/dbraw/zinc/90/43/12/545904312.db2.gz GGNCZBSTIZGGLB-JFIYKMOQSA-N 0 0 332.400 0.742 10 0 ECAERN Cc1c(C(=O)N2CCN(c3ccc4nncn4n3)CC2)ccn1C ZINC000195270565 545913471 /nfs/dbraw/zinc/91/34/71/545913471.db2.gz LIKVIHZBIRXPOH-UHFFFAOYSA-N 0 0 325.376 0.734 10 0 ECAERN O=S(=O)(CC[C@H]1CCCO1)N1CCO[C@H](Cn2cccn2)C1 ZINC000246033964 545937783 /nfs/dbraw/zinc/93/77/83/545937783.db2.gz QGRGFBPTEVIEOL-ZIAGYGMSSA-N 0 0 329.422 0.483 10 0 ECAERN CCn1cc(O[C@@H]2CN(S(=O)(=O)c3ccc(C)o3)C[C@H]2O)cn1 ZINC000625316339 547069245 /nfs/dbraw/zinc/06/92/45/547069245.db2.gz AGLFJSPHGFKNTQ-CHWSQXEVSA-N 0 0 341.389 0.617 10 0 ECAERN Cc1noc([C@H]2CN(CCC(=O)N3CCN(C)CC3)C[C@@H](C)O2)n1 ZINC000625912294 547253257 /nfs/dbraw/zinc/25/32/57/547253257.db2.gz SLKBIJUPJSMOCE-TZMCWYRMSA-N 0 0 337.424 0.304 10 0 ECAERN Cc1cc(C)n(-c2cncc(N3CC[C@](O)(Cn4ccnn4)C3)n2)n1 ZINC000671467300 548154633 /nfs/dbraw/zinc/15/46/33/548154633.db2.gz WVAPZAJJPAYIMQ-MRXNPFEDSA-N 0 0 340.391 0.512 10 0 ECAERN O=C([O-])[C@H]1C[NH2+]C[C@H]1c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000757192785 579459927 /nfs/dbraw/zinc/45/99/27/579459927.db2.gz NGJKLLYCHLEERN-KBPBESRZSA-N 0 0 340.401 0.095 10 0 ECAERN COc1cc(OC)cc(C(=O)N[C@@H](C(=O)OCC(N)=O)C(C)C)c1 ZINC000003304221 588943405 /nfs/dbraw/zinc/94/34/05/588943405.db2.gz JTPOBKWAWDKBCA-CQSZACIVSA-N 0 0 338.360 0.487 10 0 ECAERN CO[C@@H]1CCCCN(CC(=O)N2CCOC3(CCOCC3)C2)C1=O ZINC000888076187 586245387 /nfs/dbraw/zinc/24/53/87/586245387.db2.gz GSISOSWPGCRFKM-CQSZACIVSA-N 0 0 340.420 0.422 10 0 ECAERN CO[C@@H]1CCCCN(CC(=O)N2CCC(Cn3cncn3)CC2)C1=O ZINC000888075988 586245552 /nfs/dbraw/zinc/24/55/52/586245552.db2.gz MBBJUFWNHMBNGO-OAHLLOKOSA-N 0 0 349.435 0.544 10 0 ECAERN CC(C)Cn1ncnc1CN1CCC[C@@](O)(Cc2nncn2C)C1 ZINC000888077726 586245612 /nfs/dbraw/zinc/24/56/12/586245612.db2.gz RBNBGNZBIMDIQX-MRXNPFEDSA-N 0 0 333.440 0.632 10 0 ECAERN COc1c(CN2CCC[C@](O)(Cc3nc(C)no3)C2)c(C)nn1C ZINC000888076998 586245792 /nfs/dbraw/zinc/24/57/92/586245792.db2.gz BYTQRJJCBBMQGT-INIZCTEOSA-N 0 0 335.408 0.998 10 0 ECAERN CCC1(CO)CCN(C(=O)[C@@]2(N3CCN(C)CC3)CCOC2)CC1 ZINC000888076571 586245993 /nfs/dbraw/zinc/24/59/93/586245993.db2.gz TZUJSNXMKZWRDY-GOSISDBHSA-N 0 0 339.480 0.404 10 0 ECAERN Cn1ncc(C(=O)N[C@H]2C[C@@H](O)[C@@H]2n2cccn2)c1Br ZINC000888079436 586246864 /nfs/dbraw/zinc/24/68/64/586246864.db2.gz AFTLKBCIVDSYHI-IVZWLZJFSA-N 0 0 340.181 0.483 10 0 ECAERN COC(=O)c1cc(NC(=O)N2CC[C@@H](c3cnn(C)c3)C2)nn1C ZINC000889068489 586253001 /nfs/dbraw/zinc/25/30/01/586253001.db2.gz BDFBPHHELPURHO-SNVBAGLBSA-N 0 0 332.364 0.962 10 0 ECAERN O=C(c1cn([C@@H]2COC[C@H]2O)nn1)N1CCc2cc(F)ccc2C1 ZINC000888093807 586348576 /nfs/dbraw/zinc/34/85/76/586348576.db2.gz UNVNKWNMXAFYFV-HUUCEWRRSA-N 0 0 332.335 0.548 10 0 ECAERN Cc1ccn2ncc(C(=O)N[C@H]3COC[C@H]3Oc3cnn(C)c3)c2c1 ZINC000888093705 586348638 /nfs/dbraw/zinc/34/86/38/586348638.db2.gz ORYCKAPSCOYFGO-GOEBONIOSA-N 0 0 341.371 0.952 10 0 ECAERN CN(C)c1ccnc(C(=O)N[C@H]2COC[C@H]2Oc2cnn(C)c2)c1 ZINC000888094524 586349058 /nfs/dbraw/zinc/34/90/58/586349058.db2.gz ZNYMKXVZPMGPNA-LSDHHAIUSA-N 0 0 331.376 0.457 10 0 ECAERN CN(CC1(C)COC1)C(=O)[C@H]1CC[C@@H](C(N)=O)N1Cc1ccccc1 ZINC000888095547 586349290 /nfs/dbraw/zinc/34/92/90/586349290.db2.gz QBBUYDVRKFHHGW-JKSUJKDBSA-N 0 0 345.443 1.000 10 0 ECAERN CNC(=O)[C@@H]1CC(=O)N(C2CN(C(=O)c3cc(F)cc(F)c3)C2)C1 ZINC000888098142 586349793 /nfs/dbraw/zinc/34/97/93/586349793.db2.gz FKTBQJCBYXFLRX-SNVBAGLBSA-N 0 0 337.326 0.384 10 0 ECAERN CC[C@@H]1CN(C(=O)C(C)C)CC[C@H]1NC(=O)N1CCOCCN1 ZINC000893811804 586360905 /nfs/dbraw/zinc/36/09/05/586360905.db2.gz ZTQLITFGOMJPDV-ZIAGYGMSSA-N 0 0 326.441 0.816 10 0 ECAERN CCS(=O)(=O)NCCCNC(=O)C1C[C@H]2CSC[C@@H](C1)C2=O ZINC000900454059 586632595 /nfs/dbraw/zinc/63/25/95/586632595.db2.gz XUWIHYGOBARRKW-YOGCLGLASA-N 0 0 348.490 0.390 10 0 ECAERN CC(=O)N(C[C@@H]1CCCN1C(=O)CNC(=O)N1CCCC1)C1CC1 ZINC000907570208 586737358 /nfs/dbraw/zinc/73/73/58/586737358.db2.gz INGPQUPXRDVFME-HNNXBMFYSA-N 0 0 336.436 0.794 10 0 ECAERN COc1cccc(CNC(=O)[C@H]2Cn3c(C)nnc3CN2)c1OC ZINC000818059730 587399580 /nfs/dbraw/zinc/39/95/80/587399580.db2.gz OTEZTHYFAMZQSD-GFCCVEGCSA-N 0 0 331.376 0.392 10 0 ECAERN Cn1cc(CC(=O)N2CCC[C@@](O)(Cc3nc(C4CC4)no3)C2)cn1 ZINC000818494288 587435233 /nfs/dbraw/zinc/43/52/33/587435233.db2.gz OIVAFRSRZKGUBQ-QGZVFWFLSA-N 0 0 345.403 0.819 10 0 ECAERN CCn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2ccc(N(C)C)nc2)cn1 ZINC000818601335 587440314 /nfs/dbraw/zinc/44/03/14/587440314.db2.gz WFVWPXLSEOKYIN-LSDHHAIUSA-N 0 0 345.403 0.940 10 0 ECAERN Cn1cc(S(=O)(=O)NC[C@@H]2CCCO[C@H]2c2nccn2C)cn1 ZINC000858008763 589722358 /nfs/dbraw/zinc/72/23/58/589722358.db2.gz YKBOJGZGIFQSOG-WCQYABFASA-N 0 0 339.421 0.600 10 0 ECAERN Cn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2cccc3c[nH]nc32)cn1 ZINC000862925222 589974586 /nfs/dbraw/zinc/97/45/86/589974586.db2.gz DJBPOHDIXGBFSI-UONOGXRCSA-N 0 0 327.344 0.873 10 0 ECAERN Cn1cc(O[C@@H]2COC[C@@H]2NC(=O)Cc2ccc3c(c2)CCO3)cn1 ZINC000862926616 589975169 /nfs/dbraw/zinc/97/51/69/589975169.db2.gz RMNGHSVWXAOMSJ-DOTOQJQBSA-N 0 0 343.383 0.860 10 0 ECAERN CN1CCO[C@H](CNS(=O)(=O)c2ccc3c(c2)N(C)CCC3)C1 ZINC000124795691 590217877 /nfs/dbraw/zinc/21/78/77/590217877.db2.gz DXIVMNGTNZSQEI-CQSZACIVSA-N 0 0 339.461 0.678 10 0 ECAERN O=C(NC[C@H](O)CN1CCOCC1)c1ccnc(Br)c1 ZINC000133057039 590676673 /nfs/dbraw/zinc/67/66/73/590676673.db2.gz AALOPGVPDNGXIA-NSHDSACASA-N 0 0 344.209 0.267 10 0 ECAERN CO[C@@H]1CN(C(=O)c2cn(C)nc2C(C)C)C[C@H]1c1cn(C)nn1 ZINC000886075526 590790781 /nfs/dbraw/zinc/79/07/81/590790781.db2.gz NLWUREBFSLZUIT-SMDDNHRTSA-N 0 0 332.408 0.927 10 0 ECAERN CCn1[nH]c(C)nc1=NC(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1nccn1C ZINC000886077612 590790823 /nfs/dbraw/zinc/79/08/23/590790823.db2.gz CSAJLJVGKOPOEX-AAEUAGOBSA-N 0 0 345.407 0.310 10 0 ECAERN COc1ncccc1CCNC(=O)CN1CCCC[C@@H](OC)C1=O ZINC000886078271 590791651 /nfs/dbraw/zinc/79/16/51/590791651.db2.gz UIZAKRZBVGASDD-CQSZACIVSA-N 0 0 335.404 0.776 10 0 ECAERN NC(=O)[C@@]1(N2CCN(C(=O)c3[nH]ccc3C3CC3)CC2)CCOC1 ZINC000886078264 590792089 /nfs/dbraw/zinc/79/20/89/590792089.db2.gz UFALKACPKGIDGU-QGZVFWFLSA-N 0 0 332.404 0.294 10 0 ECAERN COc1ccc(F)cc1CN1CCN([C@]2(C(N)=O)CCOC2)CC1 ZINC000886080496 590792658 /nfs/dbraw/zinc/79/26/58/590792658.db2.gz ZUSQOBCWJPDTHK-QGZVFWFLSA-N 0 0 337.395 0.596 10 0 ECAERN Cn1cnnc1C[C@@]1(O)CCCN(C(=O)c2cccc3nc[nH]c32)C1 ZINC000886085064 590793247 /nfs/dbraw/zinc/79/32/47/590793247.db2.gz YVJBITHCZBVLDH-KRWDZBQOSA-N 0 0 340.387 0.901 10 0 ECAERN COc1ccc(CN2CCN([C@]3(C(N)=O)CCOC3)CC2)cc1F ZINC000886093368 590794228 /nfs/dbraw/zinc/79/42/28/590794228.db2.gz FDKFNNYKCWBBEI-QGZVFWFLSA-N 0 0 337.395 0.596 10 0 ECAERN CCN1CCOC[C@@H]1C(=O)N1CC(OCc2nc(C3CC3)no2)C1 ZINC000886097247 590795749 /nfs/dbraw/zinc/79/57/49/590795749.db2.gz WKUMZUFYOSGSCS-CYBMUJFWSA-N 0 0 336.392 0.395 10 0 ECAERN O=C(N[C@@H]1C[C@@H](O)C12CCOCC2)c1cnn(-c2ccccc2)n1 ZINC000887026408 590927501 /nfs/dbraw/zinc/92/75/01/590927501.db2.gz DOWHUXIBOSBPOQ-HUUCEWRRSA-N 0 0 328.372 0.927 10 0 ECAERN C[C@@H]1CN(CN2C[C@@](C)(c3ccccc3)CC2=O)C[C@@H](C(N)=O)O1 ZINC000186743712 611402172 /nfs/dbraw/zinc/40/21/72/611402172.db2.gz SXPSLBJASPMYFC-XUWXXGDYSA-N 0 0 331.416 0.709 10 0 ECAERN C[C@H](NC(=O)C(=O)Nc1ccc(-n2nccn2)cc1)[C@H]1CCCO1 ZINC000041916020 611432221 /nfs/dbraw/zinc/43/22/21/611432221.db2.gz UEKXYRXYODRLAA-SMDDNHRTSA-N 0 0 329.360 0.890 10 0 ECAERN CCCn1cc(NC(=O)C(=O)N2CCN(CCOC)[C@@H](C)C2)cn1 ZINC000157169834 611445887 /nfs/dbraw/zinc/44/58/87/611445887.db2.gz JNHMSWYCQHMAGP-ZDUSSCGKSA-N 0 0 337.424 0.411 10 0 ECAERN CCCn1cc(NC(=O)C(=O)N2CC(NC(=O)C3CCC3)C2)cn1 ZINC000188020024 611561836 /nfs/dbraw/zinc/56/18/36/611561836.db2.gz MXHWSZLYFHRADW-UHFFFAOYSA-N 0 0 333.392 0.359 10 0 ECAERN O=C(c1nc(Cl)ccc1Cl)N1CC[C@]2(C1)NC(=O)NC2=O ZINC000084795935 608665479 /nfs/dbraw/zinc/66/54/79/608665479.db2.gz FOZDOVWAXLZIFR-GFCCVEGCSA-N 0 0 329.143 0.813 10 0 ECAERN O=C(Cc1[nH]nc2c1CCCC2)N1CCO[C@@H](Cn2cccn2)C1 ZINC000188377781 611671858 /nfs/dbraw/zinc/67/18/58/611671858.db2.gz QCFCNAYYQWPIOL-CYBMUJFWSA-N 0 0 329.404 0.955 10 0 ECAERN CC[C@H](C)[C@@H]1Nc2ncnc(NCCN3CCOCC3)c2NC1=O ZINC000224001767 609716508 /nfs/dbraw/zinc/71/65/08/609716508.db2.gz QOVNHOKVGKTSQM-RYUDHWBXSA-N 0 0 334.424 0.999 10 0 ECAERN COCCn1ncc(N2CCC[C@@H](CC(=O)NC3CC3)C2)cc1=O ZINC000169748925 609744610 /nfs/dbraw/zinc/74/46/10/609744610.db2.gz ISFNLBHSRIJCPU-ZDUSSCGKSA-N 0 0 334.420 0.775 10 0 ECAERN COC[C@@H](C)C(=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000171946921 609766809 /nfs/dbraw/zinc/76/68/09/609766809.db2.gz MUKWYFBPTLOVBW-SECBINFHSA-N 0 0 346.371 0.947 10 0 ECAERN COC(=O)c1ncn(CN2CCO[C@H](Cn3nc(C)cc3C)C2)n1 ZINC000152885503 609885671 /nfs/dbraw/zinc/88/56/71/609885671.db2.gz XOQRAKKYFZNPQU-ZDUSSCGKSA-N 0 0 334.380 0.237 10 0 ECAERN COC(OC)C(=O)N1CCN(C(=O)[C@@H]2OCC[C@@H]2C(C)C)CC1 ZINC000912354007 609948418 /nfs/dbraw/zinc/94/84/18/609948418.db2.gz WGHODLUANDIDER-CHWSQXEVSA-N 0 0 328.409 0.337 10 0 ECAERN CCOc1ccccc1N1C[C@H](C(=O)N2CCOC[C@@H]2CO)CC1=O ZINC000912427425 609958337 /nfs/dbraw/zinc/95/83/37/609958337.db2.gz KQOYLZQSQIRBFE-KGLIPLIRSA-N 0 0 348.399 0.658 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)NCC[S@@](=O)C(C)(C)C)CC1 ZINC000181780360 610167411 /nfs/dbraw/zinc/16/74/11/610167411.db2.gz ZWPYSCHRYIDKMP-MCMMXHMISA-N 0 0 333.498 0.632 10 0 ECAERN O=C1[C@@H]2CC=CC[C@H]2C(=O)N1CN1CCO[C@@H](Cn2cccn2)C1 ZINC000247059671 612752952 /nfs/dbraw/zinc/75/29/52/612752952.db2.gz LVJODLHNLLRREI-RBSFLKMASA-N 0 0 330.388 0.493 10 0 ECAERN CC(=O)N1CCc2ccc(S(=O)(=O)N[C@H]3CCCNC3=O)cc21 ZINC000329491399 754882168 /nfs/dbraw/zinc/88/21/68/754882168.db2.gz ZGTDBBVFJPDREA-ZDUSSCGKSA-N 0 0 337.401 0.993 10 0 ECAERN CN1CCN(C(=O)[C@H]2CCC(=O)N(C)[C@H]2c2ccccc2)CC1=O ZINC000172609851 282915242 /nfs/dbraw/zinc/91/52/42/282915242.db2.gz SJHAXWKXLFRXRQ-YOEHRIQHSA-N 0 0 329.400 0.897 10 0 ECAERN CN(C(=O)Nc1nccn(C)c1=O)[C@@H]1CCCN(c2cccnn2)C1 ZINC000183852684 235244093 /nfs/dbraw/zinc/24/40/93/235244093.db2.gz UEIKRPXXXQLHLA-GFCCVEGCSA-N 0 0 343.391 0.703 10 0 ECAERN Nc1cccc2c1CCN(S(=O)(=O)[C@@H]1CCS(=O)(=O)C1)C2 ZINC000038032768 202089308 /nfs/dbraw/zinc/08/93/08/202089308.db2.gz IMJHPWOPISTSSR-LLVKDONJSA-N 0 0 330.431 0.144 10 0 ECAERN CCS(=O)(=O)c1ncc(Cl)c(C(=O)N2CCN(C)CC2)n1 ZINC000027666312 202159502 /nfs/dbraw/zinc/15/95/02/202159502.db2.gz VUVSDMACFABTMT-UHFFFAOYSA-N 0 0 332.813 0.311 10 0 ECAERN NC(=O)[C@@H]1COCCN1C(=O)[C@H](O)Cc1cccc(C(F)(F)F)c1 ZINC000187490468 236225241 /nfs/dbraw/zinc/22/52/41/236225241.db2.gz OXNMSYXAILDXFO-NWDGAFQWSA-N 0 0 346.305 0.322 10 0 ECAERN O=C(NC1CN(C(=O)C(=O)N2CCCc3ccc(F)cc32)C1)C1CC1 ZINC000187982707 236370179 /nfs/dbraw/zinc/37/01/79/236370179.db2.gz GIEUDOHPFXWYLA-UHFFFAOYSA-N 0 0 345.374 0.842 10 0 ECAERN COc1ccc(/C=C(/NC(C)=O)C(=O)N2CCN(C)CC2)cc1OC ZINC000033564788 202266834 /nfs/dbraw/zinc/26/68/34/202266834.db2.gz FMLCAJXWCWGGIK-RVDMUPIBSA-N 0 0 347.415 0.955 10 0 ECAERN C[C@@H](C(=O)NC[C@@H]1CCCO1)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000105917598 201060704 /nfs/dbraw/zinc/06/07/04/201060704.db2.gz LFPRUQIPDQQGRU-RDJZCZTQSA-N 0 0 349.479 0.612 10 0 ECAERN C[C@@H](CNC(=O)CCNC(=O)c1cccs1)N1CCOCC1 ZINC000029959002 201065334 /nfs/dbraw/zinc/06/53/34/201065334.db2.gz LZXNRFZRJVZJKR-LBPRGKRZSA-N 0 0 325.434 0.705 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)NC(C)C)CC2 ZINC000123935655 201092711 /nfs/dbraw/zinc/09/27/11/201092711.db2.gz HZMCHORLNCMQLX-OLZOCXBDSA-N 0 0 348.451 0.854 10 0 ECAERN CN(C)c1ncccc1O[C@H]1CCN(C(=O)C2=NN(C)C(=O)CC2)C1 ZINC000275742815 201286179 /nfs/dbraw/zinc/28/61/79/201286179.db2.gz VOTPMYYSVFVQHO-LBPRGKRZSA-N 0 0 345.403 0.736 10 0 ECAERN O=C1OC(c2ccccc2)=NC1=C(N1CCOCC1)N1CCOCC1 ZINC000003109747 201360958 /nfs/dbraw/zinc/36/09/58/201360958.db2.gz HDQCUOFBAVNZNG-UHFFFAOYSA-N 0 0 343.383 0.824 10 0 ECAERN [NH3+][C@@H]1[C@H]2CN(c3nc4c(cc3F)c(=O)c(C(=O)[O-])cn4C3CC3)C[C@H]21 ZINC000100848701 201387440 /nfs/dbraw/zinc/38/74/40/201387440.db2.gz HPQJHUNCWWNOJL-IWIIMEHWSA-N 0 0 344.346 0.962 10 0 ECAERN CC1=C(C(=O)OCOC(=O)C(C)(C)C)N2C(=O)[C@H](N)[C@H]2SC1 ZINC000031391332 201387762 /nfs/dbraw/zinc/38/77/62/201387762.db2.gz WYCUHWBZAWSQBN-GZMMTYOYSA-N 0 0 328.390 0.593 10 0 ECAERN O=C(c1cccnc1)N1CCN2C(=O)N(C3CCOCC3)C[C@H]2C1 ZINC000085436102 202617900 /nfs/dbraw/zinc/61/79/00/202617900.db2.gz AFWOJCVASIMWGY-OAHLLOKOSA-N 0 0 330.388 0.823 10 0 ECAERN C[C@](O)(CN1CCN(C(=O)CN2CCOCC2)CC1)c1ccccc1 ZINC000057924845 202732298 /nfs/dbraw/zinc/73/22/98/202732298.db2.gz XXDHCDJQDKEHNJ-IBGZPJMESA-N 0 0 347.459 0.371 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)C(=O)Nc2nc(C)c(C)s2)CC1 ZINC000193400266 240145631 /nfs/dbraw/zinc/14/56/31/240145631.db2.gz LJVMWVOWVCSFGO-GFCCVEGCSA-N 0 0 340.449 0.614 10 0 ECAERN C[C@@H]1CN(C(=O)C(=O)Nc2ccc(F)cn2)C[C@H]1N1CCOCC1 ZINC000193718356 240279178 /nfs/dbraw/zinc/27/91/78/240279178.db2.gz MLWDMYGQHZNULD-DGCLKSJQSA-N 0 0 336.367 0.338 10 0 ECAERN NC(=O)[C@H]1COCCN1S(=O)(=O)c1c(F)c(F)cc(F)c1F ZINC000193816480 240321124 /nfs/dbraw/zinc/32/11/24/240321124.db2.gz CEXJMXGJERIBHE-SSDOTTSWSA-N 0 0 342.270 0.118 10 0 ECAERN O=S(=O)(NCc1ccnc(N2CCOCC2)n1)c1ccccc1 ZINC000224220948 241740123 /nfs/dbraw/zinc/74/01/23/241740123.db2.gz IUAAGPIEHBRGCU-UHFFFAOYSA-N 0 0 334.401 0.792 10 0 ECAERN COC(=O)CNC(=O)CN1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000246946537 243339033 /nfs/dbraw/zinc/33/90/33/243339033.db2.gz ZNVPIXCJPPVNEL-GWCFXTLKSA-N 0 0 328.315 0.362 10 0 ECAERN O=C(Nc1ccccc1OCc1ccccn1)[C@@H]1CNCC(=O)N1 ZINC000071757150 203108934 /nfs/dbraw/zinc/10/89/34/203108934.db2.gz DUFMOYGKTGBCET-AWEZNQCLSA-N 0 0 326.356 0.687 10 0 ECAERN Cc1cc(C)nc(-n2[n-]c3cc(=O)n(CC[NH+](C)C)c(C)c3c2=O)n1 ZINC000072446099 203225313 /nfs/dbraw/zinc/22/53/13/203225313.db2.gz INECLJXLESCPQT-UHFFFAOYSA-N 0 0 342.403 0.757 10 0 ECAERN Cc1nnc(-n2ccc3c(cnc4nc(-c5cccnc5)nn43)c2=O)[nH]1 ZINC000072452328 203227098 /nfs/dbraw/zinc/22/70/98/203227098.db2.gz AETAMHMDYRYPPL-UHFFFAOYSA-N 0 0 345.326 0.917 10 0 ECAERN C[C@H]1C[C@@H]1NC(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 ZINC000076056643 203333972 /nfs/dbraw/zinc/33/39/72/203333972.db2.gz ALNRTOXVUQRYTC-FZMZJTMJSA-N 0 0 330.388 0.466 10 0 ECAERN C[C@H](CNC(=O)C(=O)Nc1cccc2[nH]ccc21)N1CCOCC1 ZINC000077697221 203397598 /nfs/dbraw/zinc/39/75/98/203397598.db2.gz ZATIVJOZCLQTJM-GFCCVEGCSA-N 0 0 330.388 0.943 10 0 ECAERN NC(=O)[C@H]1COCCN1C(=O)Cc1ccc(F)c(Br)c1 ZINC000091781937 203651569 /nfs/dbraw/zinc/65/15/69/203651569.db2.gz ZEILNNLUBMRWED-LLVKDONJSA-N 0 0 345.168 0.843 10 0 ECAERN NC(=O)[C@@H]1COCCN1C(=O)COc1ccc(C(F)(F)F)cc1 ZINC000091783232 203651978 /nfs/dbraw/zinc/65/19/78/203651978.db2.gz LSZUNZWMERQDHK-NSHDSACASA-N 0 0 332.278 0.797 10 0 ECAERN C[C@H](CNS(=O)(=O)Cc1ccc(Cl)nc1)N1CCOCC1 ZINC000101571203 204012154 /nfs/dbraw/zinc/01/21/54/204012154.db2.gz FYEALBPIOIYVTB-LLVKDONJSA-N 0 0 333.841 0.875 10 0 ECAERN Cn1cc(CCCNC(=O)[C@@H](Cc2ccccc2)NC(N)=O)cn1 ZINC000102650498 204044370 /nfs/dbraw/zinc/04/43/70/204044370.db2.gz DBLPQWWABVQALB-OAHLLOKOSA-N 0 0 329.404 0.749 10 0 ECAERN CN1CCO[C@H](CNC(=O)NCc2cccnc2-n2ccnc2)C1 ZINC000104781256 204119167 /nfs/dbraw/zinc/11/91/67/204119167.db2.gz DEZHMPIWAIJVPL-CQSZACIVSA-N 0 0 330.392 0.397 10 0 ECAERN CO[C@H]1C[C@H](C(=O)N[C@H]2CC(C)(C)OC2(C)C)N(S(C)(=O)=O)C1 ZINC000363768780 204100876 /nfs/dbraw/zinc/10/08/76/204100876.db2.gz WNLILVMTQSNUAP-TUAOUCFPSA-N 0 0 348.465 0.498 10 0 ECAERN CCN1CCN(CC(=O)N2CCCc3c(N)cccc32)C(=O)C1=O ZINC000236938516 204130366 /nfs/dbraw/zinc/13/03/66/204130366.db2.gz WQLZCOPKCZJURZ-UHFFFAOYSA-N 0 0 330.388 0.239 10 0 ECAERN C[C@@H](C(=O)NC(N)=O)N1CCN(Cc2cnn(C(C)(C)C)c2)CC1 ZINC000105866033 204172807 /nfs/dbraw/zinc/17/28/07/204172807.db2.gz RTYLIGIVXLCEGX-LBPRGKRZSA-N 0 0 336.440 0.339 10 0 ECAERN NC(=O)c1ccccc1NC(=O)CN1CCC[C@H](Cn2cncn2)C1 ZINC000105883787 204176416 /nfs/dbraw/zinc/17/64/16/204176416.db2.gz UUYRJLKOYPAHBC-ZDUSSCGKSA-N 0 0 342.403 0.728 10 0 ECAERN C[C@@H](C(=O)N(C)C)N1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000105921965 204179799 /nfs/dbraw/zinc/17/97/99/204179799.db2.gz PERYKYVAEFXVLQ-HOTGVXAUSA-N 0 0 335.448 0.521 10 0 ECAERN CCn1cc(CN2CCCN(C(=O)C3(C(=O)NC)CC3)CC2)cn1 ZINC000106024787 204183492 /nfs/dbraw/zinc/18/34/92/204183492.db2.gz BZYPKZIHWPJXLJ-UHFFFAOYSA-N 0 0 333.436 0.464 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)c2cn(Cc3ccccc3)nn2)CC1 ZINC000106395915 204192766 /nfs/dbraw/zinc/19/27/66/204192766.db2.gz LRYRDEWVXCTYNU-INIZCTEOSA-N 0 0 343.431 0.855 10 0 ECAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)NCCc3nc(C)no3)CCO2)n1 ZINC000111849162 204375359 /nfs/dbraw/zinc/37/53/59/204375359.db2.gz MOGHKFGHTFNJBJ-AWEZNQCLSA-N 0 0 348.407 0.844 10 0 ECAERN COc1ccc(Cl)c(S(=O)(=O)NC[C@H]2CN(C)CCO2)c1 ZINC000112361946 204396506 /nfs/dbraw/zinc/39/65/06/204396506.db2.gz AJHIBUINQFQOMU-NSHDSACASA-N 0 0 334.825 0.958 10 0 ECAERN CCN1C[C@@H](C(=O)N(C)[C@@H]2CCCN(c3cccnn3)C2)CC1=O ZINC000122534747 204873033 /nfs/dbraw/zinc/87/30/33/204873033.db2.gz NLFIBRLSYRBFAV-UONOGXRCSA-N 0 0 331.420 0.772 10 0 ECAERN CCS(=O)(=O)c1cccc(CC(=O)N[C@@H]2CCc3ncnn3C2)c1 ZINC000123552797 204923397 /nfs/dbraw/zinc/92/33/97/204923397.db2.gz XEECEJCVFWUAQN-CYBMUJFWSA-N 0 0 348.428 0.745 10 0 ECAERN CCCNC(=O)CNC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 ZINC000124363350 204960081 /nfs/dbraw/zinc/96/00/81/204960081.db2.gz XHYOEBFTWSYSEV-CZUORRHYSA-N 0 0 335.379 0.988 10 0 ECAERN O=C(Nc1ccc2ncsc2c1)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000177633074 284344857 /nfs/dbraw/zinc/34/48/57/284344857.db2.gz DEKQRNWPYJWGDA-JTQLQIEISA-N 0 0 342.384 0.958 10 0 ECAERN O=C(NC[C@@]1(O)CCc2ccccc21)N[C@@H]1CCc2ncnn2C1 ZINC000127684957 205112702 /nfs/dbraw/zinc/11/27/02/205112702.db2.gz WEADQAZYADQTRO-DYVFJYSZSA-N 0 0 327.388 0.726 10 0 ECAERN COC(=O)C1(C(=O)N2CCN(C[C@@H](O)c3ccccc3)CC2)CC1 ZINC000132072702 205312567 /nfs/dbraw/zinc/31/25/67/205312567.db2.gz USPNOWQHWUUMQU-OAHLLOKOSA-N 0 0 332.400 0.817 10 0 ECAERN Cc1cc(O)cc(=O)n1CC(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000132863628 205345446 /nfs/dbraw/zinc/34/54/46/205345446.db2.gz QXLZWNCWXGBTPT-SWLSCSKDSA-N 0 0 335.404 0.041 10 0 ECAERN C[C@@H]1CN(C(=O)c2cn(Cc3cccs3)nn2)C[C@@H](C(N)=O)O1 ZINC000157517052 206140972 /nfs/dbraw/zinc/14/09/72/206140972.db2.gz IRIFLTKYIKLZPD-SKDRFNHKSA-N 0 0 335.389 0.103 10 0 ECAERN Cn1cc(CNC(=O)N[C@H]2CCc3ncnn3C2)c(C(F)(F)F)n1 ZINC000159057832 206224026 /nfs/dbraw/zinc/22/40/26/206224026.db2.gz FDSNNJJDDVXQEC-VIFPVBQESA-N 0 0 343.313 0.845 10 0 ECAERN O=C(NC[C@H](O)CN1CCOCC1)[C@H](O)c1ccccc1Cl ZINC000158935895 206216957 /nfs/dbraw/zinc/21/69/57/206216957.db2.gz UGEQEAJGMANPMV-SMDDNHRTSA-N 0 0 328.796 0.183 10 0 ECAERN CCC(=O)N1CC[C@@H](C(=O)N2CCO[C@@H](Cn3cc(C)cn3)C2)C1 ZINC000161921086 206377321 /nfs/dbraw/zinc/37/73/21/206377321.db2.gz MGMPKFZVGAMVSX-HUUCEWRRSA-N 0 0 334.420 0.677 10 0 ECAERN Cc1cc(N2CCC[C@H](NC(=O)CCn3cccn3)C2=O)n(C)n1 ZINC000175009332 207083110 /nfs/dbraw/zinc/08/31/10/207083110.db2.gz GLXDXAXGWFVSFP-ZDUSSCGKSA-N 0 0 330.392 0.627 10 0 ECAERN CNc1cc(N2CCC[C@@H]2CNC(=O)NCc2noc(C)n2)ncn1 ZINC000175695140 207151397 /nfs/dbraw/zinc/15/13/97/207151397.db2.gz FUGAQYZKLNKNMM-LLVKDONJSA-N 0 0 346.395 0.678 10 0 ECAERN CNS(=O)(=O)c1cc(C(=O)N2CCN3CCCC[C@@H]3C2)c(C)o1 ZINC000175894258 207170789 /nfs/dbraw/zinc/17/07/89/207170789.db2.gz OGMMTNPMUILNTC-GFCCVEGCSA-N 0 0 341.433 0.806 10 0 ECAERN Cc1cc(N2CCC[C@H](NC(=O)N(C)CC(C)(C)O)C2=O)n(C)n1 ZINC000176680646 207250288 /nfs/dbraw/zinc/25/02/88/207250288.db2.gz GPZPCJRUWNJHGX-LBPRGKRZSA-N 0 0 337.424 0.636 10 0 ECAERN C[C@H]1CN(C(=O)Nc2ccc(C(N)=O)cc2)C[C@@H]1N1CCOCC1 ZINC000177233444 207309689 /nfs/dbraw/zinc/30/96/89/207309689.db2.gz YGCMODYVGISLPN-WFASDCNBSA-N 0 0 332.404 0.970 10 0 ECAERN C[C@@H]1CN(Cc2nnnn2-c2ccccc2)C[C@@H]1N1CCOCC1 ZINC000177263012 207313056 /nfs/dbraw/zinc/31/30/56/207313056.db2.gz AZFZVSBYYRORKQ-ZBFHGGJFSA-N 0 0 328.420 0.815 10 0 ECAERN CC(C)NS(=O)(=O)CCNC(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000177464500 207340335 /nfs/dbraw/zinc/34/03/35/207340335.db2.gz YOVPMXRLZGOTSU-CYBMUJFWSA-N 0 0 343.453 0.385 10 0 ECAERN O=C(CCn1nnc2ccccc2c1=O)N[C@H]1CCCn2ncnc21 ZINC000177575554 207357502 /nfs/dbraw/zinc/35/75/02/207357502.db2.gz FPCUHVFZHNXNCU-ZDUSSCGKSA-N 0 0 339.359 0.424 10 0 ECAERN NC(=O)[C@H]1COCCN1Cc1nc(-c2cc(F)c(F)c(F)c2)no1 ZINC000092421364 207592207 /nfs/dbraw/zinc/59/22/07/207592207.db2.gz SIYPYGMAFZZKOM-SNVBAGLBSA-N 0 0 342.277 0.840 10 0 ECAERN Cc1ccncc1NC(=O)C(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000180256649 207754382 /nfs/dbraw/zinc/75/43/82/207754382.db2.gz WBQSAOMCNOERMA-ZFWWWQNUSA-N 0 0 332.404 0.508 10 0 ECAERN CC(C)CC(=O)N[C@H](C(=O)NCCNC(=O)c1ccn[nH]1)C(C)C ZINC000180959426 207861952 /nfs/dbraw/zinc/86/19/52/207861952.db2.gz KRSWZROYRMXSHS-AWEZNQCLSA-N 0 0 337.424 0.443 10 0 ECAERN CCOCCN1CCN(C(=O)[C@@H](C)NC(=O)c2ccco2)C[C@H]1C ZINC000117275296 221041093 /nfs/dbraw/zinc/04/10/93/221041093.db2.gz YPSQQSCPFUMWRA-ZIAGYGMSSA-N 0 0 337.420 0.967 10 0 ECAERN CCOCCN1CCN(C(=O)[C@@H]2CCCN(C(C)=O)C2)C[C@@H]1C ZINC000117281665 221041191 /nfs/dbraw/zinc/04/11/91/221041191.db2.gz XWTHRCIAQUHPMA-GOEBONIOSA-N 0 0 325.453 0.814 10 0 ECAERN CCOCCN1CCN(C(=O)[C@@H]2CCCN(C(C)=O)C2)C[C@H]1C ZINC000117281669 221041946 /nfs/dbraw/zinc/04/19/46/221041946.db2.gz XWTHRCIAQUHPMA-GDBMZVCRSA-N 0 0 325.453 0.814 10 0 ECAERN COCCN1CCN(C(=O)C(=O)NCCCc2ccccc2)C[C@H]1C ZINC000117296754 221047406 /nfs/dbraw/zinc/04/74/06/221047406.db2.gz BULFSUAZMFXCCA-MRXNPFEDSA-N 0 0 347.459 0.915 10 0 ECAERN COCCN1CCN(C(=O)NCC2CCN(C(C)=O)CC2)C[C@H]1C ZINC000117493234 221072045 /nfs/dbraw/zinc/07/20/45/221072045.db2.gz PQTQQJVKPZZPCV-CQSZACIVSA-N 0 0 340.468 0.607 10 0 ECAERN COCCN1CCN(C(=O)N[C@@H]2CCN(C(C)C)C2=O)C[C@@H]1C ZINC000117497680 221072521 /nfs/dbraw/zinc/07/25/21/221072521.db2.gz XHITZKGFFIEORC-UONOGXRCSA-N 0 0 326.441 0.358 10 0 ECAERN CCS(=O)(=O)CCN1Cc2ccnn2[C@H](C(=O)NC2CCC2)C1 ZINC000253488631 257659161 /nfs/dbraw/zinc/65/91/61/257659161.db2.gz BGNQDHMLWONOHH-AWEZNQCLSA-N 0 0 340.449 0.343 10 0 ECAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@H]1CC[C@H](CO)CC1 ZINC000152189728 545815468 /nfs/dbraw/zinc/81/54/68/545815468.db2.gz VWUHOCCLGOWGIK-HZSPNIEDSA-N 0 0 332.466 0.858 10 0 ECAERN O=C(Nc1ccn(CCc2ccncc2)n1)C(=O)N1CCC[C@H]1CO ZINC000121001208 296646604 /nfs/dbraw/zinc/64/66/04/296646604.db2.gz XBGTYNCCCRDXHX-AWEZNQCLSA-N 0 0 343.387 0.443 10 0 ECAERN CNC(=O)Cc1nc(CN2CCO[C@@H](Cn3cc(C)cn3)C2)cs1 ZINC000177599823 164906901 /nfs/dbraw/zinc/90/69/01/164906901.db2.gz HATHFOZVBGBFER-CQSZACIVSA-N 0 0 349.460 0.838 10 0 ECAERN O=C(CCCS(=O)(=O)N1CCCC1)N[C@H]1CCCn2ncnc21 ZINC000177566946 164907301 /nfs/dbraw/zinc/90/73/01/164907301.db2.gz TWJFLHJFLROWRQ-LBPRGKRZSA-N 0 0 341.437 0.435 10 0 ECAERN C[C@@H]1C(=O)NCCCN1CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000189294257 165008897 /nfs/dbraw/zinc/00/88/97/165008897.db2.gz GUODCEWHCXEACY-CQSZACIVSA-N 0 0 346.431 0.672 10 0 ECAERN O=C(NC1CN(C(=O)[C@H]2CC[C@@H](C(F)(F)F)NC2=O)C1)C1CC1 ZINC000189431032 165010239 /nfs/dbraw/zinc/01/02/39/165010239.db2.gz DXBPYWZCCABOHF-UWVGGRQHSA-N 0 0 333.310 0.181 10 0 ECAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N[C@@H](C)COc1ccc(F)cc1F ZINC000189886499 165017163 /nfs/dbraw/zinc/01/71/63/165017163.db2.gz URBBOLFHLQABME-MRCXROJRSA-N 0 0 342.342 0.830 10 0 ECAERN CCCN1CCCN(C(=O)N[C@H]2CCc3nc(CC)nn3C2)CC1=O ZINC000190176027 165019726 /nfs/dbraw/zinc/01/97/26/165019726.db2.gz FOZHODMJINHLBW-ZDUSSCGKSA-N 0 0 348.451 0.809 10 0 ECAERN CC(C)n1nnnc1CS(=O)(=O)CCCNC(=O)C1CCCC1 ZINC000190920249 165027421 /nfs/dbraw/zinc/02/74/21/165027421.db2.gz UYTSIQIDOLQSHB-UHFFFAOYSA-N 0 0 343.453 0.865 10 0 ECAERN C[C@@H]1C(=O)NCCCN1C(=O)N[C@@H]1CCN(c2ncccc2F)C1 ZINC000191465167 165033407 /nfs/dbraw/zinc/03/34/07/165033407.db2.gz LEOKTGAJEOOUPB-VXGBXAGGSA-N 0 0 335.383 0.719 10 0 ECAERN O=C(NC[C@@H](O)CN1CCOCC1)c1cncn1-c1ccc(F)cc1 ZINC000192709549 165047178 /nfs/dbraw/zinc/04/71/78/165047178.db2.gz XEIUSEGWWRYYRY-OAHLLOKOSA-N 0 0 348.378 0.434 10 0 ECAERN Cc1ccc(S(=O)(=O)N2CC(NC(=O)C3CC3)C2)c(Cl)n1 ZINC000193985730 165064425 /nfs/dbraw/zinc/06/44/25/165064425.db2.gz SVKXGPBOWALUGH-UHFFFAOYSA-N 0 0 329.809 0.943 10 0 ECAERN CN1CCO[C@@H](CNC(=O)C2=NN(c3ccccc3)C(=O)CC2)C1 ZINC000194614956 165067918 /nfs/dbraw/zinc/06/79/18/165067918.db2.gz FKDLWJJKFAFUTI-AWEZNQCLSA-N 0 0 330.388 0.616 10 0 ECAERN CCCCn1c(N)c(N(CC)Cc2nnc(CC)n2C)c(=O)[nH]c1=O ZINC000195046427 165074087 /nfs/dbraw/zinc/07/40/87/165074087.db2.gz YHMGXRODJSVCPJ-UHFFFAOYSA-N 0 0 349.439 0.636 10 0 ECAERN Cn1c(CN2CCC[C@@H](C(=O)N3CCOCC3)C2)nnc1C1CC1 ZINC000195049490 165075311 /nfs/dbraw/zinc/07/53/11/165075311.db2.gz WUWLKEPJKCILSP-CQSZACIVSA-N 0 0 333.436 0.763 10 0 ECAERN CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)N2CCC[C@@H]2c2cnn(C)c2)O1 ZINC000246116053 165123724 /nfs/dbraw/zinc/12/37/24/165123724.db2.gz QFTAHAOBGFBRIT-KFWWJZLASA-N 0 0 349.435 0.902 10 0 ECAERN Cc1noc(C)c1S(=O)(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000246552764 165137366 /nfs/dbraw/zinc/13/73/66/165137366.db2.gz RACXGNKUUOJSAH-GWCFXTLKSA-N 0 0 329.422 0.633 10 0 ECAERN CN(CC(=O)N1CCC[C@H]1C[C@@H](O)c1ccccc1)S(C)(=O)=O ZINC000246844284 165144602 /nfs/dbraw/zinc/14/46/02/165144602.db2.gz FBWUCSWQMVPQLP-LSDHHAIUSA-N 0 0 340.445 0.993 10 0 ECAERN COCCN1CCN([C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)C[C@H]1C ZINC000247069674 165153546 /nfs/dbraw/zinc/15/35/46/165153546.db2.gz GLHNFGARFSBSSG-ZIAGYGMSSA-N 0 0 348.447 0.765 10 0 ECAERN CCOCCN1CCN([C@H](C)C(=O)NC[C@H]2CCCO2)C[C@H]1C ZINC000247215904 165155604 /nfs/dbraw/zinc/15/56/04/165155604.db2.gz QEGASQIIASLAMK-BZUAXINKSA-N 0 0 327.469 0.713 10 0 ECAERN CCOCCN1CCN([C@@H]2CCCN(c3ccn(C)n3)C2=O)C[C@H]1C ZINC000247705756 165168220 /nfs/dbraw/zinc/16/82/20/165168220.db2.gz YUXJSXDSMPLEPH-HZPDHXFCSA-N 0 0 349.479 0.958 10 0 ECAERN O=C(c1cc(N2CCNC(=O)C2)ccn1)N1CCO[C@H]2CCCC[C@H]21 ZINC000248710244 165184298 /nfs/dbraw/zinc/18/42/98/165184298.db2.gz PVAJPKXEEUNPMB-CVEARBPZSA-N 0 0 344.415 0.801 10 0 ECAERN C[C@@H]1CN(Cc2nnnn2CC(F)(F)F)C[C@H]1N1CCOCC1 ZINC000248869300 165188271 /nfs/dbraw/zinc/18/82/71/165188271.db2.gz ZMEIKMICNWEKLF-GHMZBOCLSA-N 0 0 334.346 0.388 10 0 ECAERN CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1c(C)ccn(C)c1=O ZINC000249190746 165196073 /nfs/dbraw/zinc/19/60/73/165196073.db2.gz PEQTUFCECHPZFP-KGLIPLIRSA-N 0 0 346.431 0.717 10 0 ECAERN CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1cncnc1N(C)C ZINC000249210092 165196289 /nfs/dbraw/zinc/19/62/89/165196289.db2.gz SJFFXHNQIXIZIT-STQMWFEESA-N 0 0 346.435 0.566 10 0 ECAERN C[C@H](CS(C)(=O)=O)NC(=O)N1C[C@@H](CO)[C@@H](c2ccsc2)C1 ZINC000251856092 165205618 /nfs/dbraw/zinc/20/56/18/165205618.db2.gz RCRYEGBDLXCNQH-KGYLQXTDSA-N 0 0 346.474 0.899 10 0 ECAERN NC(=O)[C@@H]1CCCN(C(=O)CN2CC[NH2+]C[C@@H]2c2cccc(F)c2)C1 ZINC000261614697 165215550 /nfs/dbraw/zinc/21/55/50/165215550.db2.gz CIQKMGWVWQSBBS-GDBMZVCRSA-N 0 0 348.422 0.496 10 0 ECAERN C[NH2+][C@@H](C)Cc1noc([C@H](C)[N-]S(=O)(=O)c2c(C)noc2C)n1 ZINC000261650937 165221282 /nfs/dbraw/zinc/22/12/82/165221282.db2.gz DXEXWIMKTDAICU-CBAPKCEASA-N 0 0 343.409 0.864 10 0 ECAERN COc1ccccc1N1CC[C@H](NC(=O)C2([NH3+])CCOCC2)C1=O ZINC000261698493 165230006 /nfs/dbraw/zinc/23/00/06/165230006.db2.gz DQRGYLDOIKBXAC-LBPRGKRZSA-N 0 0 333.388 0.425 10 0 ECAERN C[C@@H]1CCCN(C(=O)C2CCN(C(=O)[C@H]3NCCO[C@@H]3C)CC2)C1 ZINC000261978346 165272774 /nfs/dbraw/zinc/27/27/74/165272774.db2.gz RJGMWJWQBNGMNZ-FMKPAKJESA-N 0 0 337.464 0.860 10 0 ECAERN C[C@H]1OCCN[C@@H]1C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)nc1 ZINC000262059325 165284579 /nfs/dbraw/zinc/28/45/79/165284579.db2.gz AQXXXFIGJDRYGO-ZJOBFFGXSA-N 0 0 348.447 0.688 10 0 ECAERN CCC[C@@H]([NH2+]CC(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O)C(=O)[O-] ZINC000262237420 165314352 /nfs/dbraw/zinc/31/43/52/165314352.db2.gz ATDPRINFNVSDQN-GFCCVEGCSA-N 0 0 333.344 0.694 10 0 ECAERN CCC[C@H]([NH2+][C@@H](C)C(=O)N(CCC)[C@@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000262294184 165323835 /nfs/dbraw/zinc/32/38/35/165323835.db2.gz OJEZWNAMHGXZJA-XQQFMLRXSA-N 0 0 348.465 0.644 10 0 ECAERN CCc1nc(C)c(C(=O)N2CCO[C@@H](C[N@H+](C)CC(=O)[O-])C2)s1 ZINC000262870297 165396535 /nfs/dbraw/zinc/39/65/35/165396535.db2.gz CSPAXNAUXMDXJW-NSHDSACASA-N 0 0 341.433 0.871 10 0 ECAERN C[C@@H]1CN(S(=O)(=O)CC[C@H]2CCCO2)C[C@H]1N1CCOCC1 ZINC000246030993 545938051 /nfs/dbraw/zinc/93/80/51/545938051.db2.gz PSNLURUSLPQKBV-RBSFLKMASA-N 0 0 332.466 0.538 10 0 ECAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)CCSc1nnnn1C ZINC000088196980 263144110 /nfs/dbraw/zinc/14/41/10/263144110.db2.gz OTEJRTRBHCGEEV-VIFPVBQESA-N 0 0 336.425 0.498 10 0 ECAERN COC(=O)c1cc(S(=O)(=O)NCCn2cc(C)cn2)cn1C ZINC000173794897 263149706 /nfs/dbraw/zinc/14/97/06/263149706.db2.gz AQXCRXRJJARYNE-UHFFFAOYSA-N 0 0 326.378 0.295 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)Cn2c(=O)[nH]c3ccccc32)C1 ZINC000262697529 263177566 /nfs/dbraw/zinc/17/75/66/263177566.db2.gz GSFKRJHOLFPCNW-UHFFFAOYSA-N 0 0 346.387 0.383 10 0 ECAERN COc1cccc(CN(C)C(=O)CN2CC[C@](O)(c3cn[nH]n3)C2)c1 ZINC000284925268 264257574 /nfs/dbraw/zinc/25/75/74/264257574.db2.gz VSNOMKPCUNDGMF-QGZVFWFLSA-N 0 0 345.403 0.365 10 0 ECAERN O=C(CN1CC[C@@](O)(c2cn[nH]n2)C1)N1CCc2ccccc2C1 ZINC000284977905 264265210 /nfs/dbraw/zinc/26/52/10/264265210.db2.gz YNXLEDSYFOFUKD-KRWDZBQOSA-N 0 0 327.388 0.283 10 0 ECAERN COc1ccc2c(c1)CN(C(=O)[C@@]1(O)CCCN(C(C)=O)C1)CC2 ZINC000286208756 264380786 /nfs/dbraw/zinc/38/07/86/264380786.db2.gz OJFWGVUIHSYKNS-GOSISDBHSA-N 0 0 332.400 0.953 10 0 ECAERN Cc1ccc2cc(C(=O)NC[C@@H](O)CN3CCOCC3)ccc2n1 ZINC000132560117 274781473 /nfs/dbraw/zinc/78/14/73/274781473.db2.gz QLJXZVVBFUUQME-MRXNPFEDSA-N 0 0 329.400 0.966 10 0 ECAERN CCO[C@@H]1C[C@@](CO)(NC(=O)N[C@H]2CCCn3ncnc32)C1(C)C ZINC000249113882 276476188 /nfs/dbraw/zinc/47/61/88/276476188.db2.gz NPIRKRGEJINMNJ-OZVIIMIRSA-N 0 0 337.424 0.978 10 0 ECAERN CS(=O)(=O)c1csc(C(=O)N2CC(NC(=O)C3CC3)C2)c1 ZINC000189404715 437596824 /nfs/dbraw/zinc/59/68/24/437596824.db2.gz CMWFEYLCDPXQKX-UHFFFAOYSA-N 0 0 328.415 0.502 10 0 ECAERN COC(=O)/C=c1\sc2n(c1=O)CN([C@H]1CCC[C@@H](C)[C@H]1C)CN=2 ZINC000035889452 277047900 /nfs/dbraw/zinc/04/79/00/277047900.db2.gz TZHMHVSKEWAKLN-MOBVEDTQSA-N 0 0 337.445 0.538 10 0 ECAERN CC(C)(CNC(=O)CN1CCO[C@H]2CCCC[C@H]21)N1CCOCC1 ZINC000250371986 277300163 /nfs/dbraw/zinc/30/01/63/277300163.db2.gz WEZDEJZQPDVBQP-CVEARBPZSA-N 0 0 339.480 0.857 10 0 ECAERN C[C@@H]1CC[C@H](C(=O)N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)O1 ZINC000246057876 278592494 /nfs/dbraw/zinc/59/24/94/278592494.db2.gz QXQHCHMDDMTKCE-FVQBIDKESA-N 0 0 331.416 0.925 10 0 ECAERN CC(C)(C)C(=O)Cn1cc(C(=O)N2CC(NC(=O)C3CC3)C2)nn1 ZINC000189506441 437605031 /nfs/dbraw/zinc/60/50/31/437605031.db2.gz YJDDATDGINXKCU-UHFFFAOYSA-N 0 0 333.392 0.244 10 0 ECAERN C[C@@H]1COC[C@H](C)N1C(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1 ZINC000130876860 288376606 /nfs/dbraw/zinc/37/66/06/288376606.db2.gz VOMCCYVLUBGPSD-RWSFTLGLSA-N 0 0 348.378 0.882 10 0 ECAERN O=C(N[C@@H]1CCCn2ncnc21)N1CCN(Cc2ccon2)CC1 ZINC000333014199 297100760 /nfs/dbraw/zinc/10/07/60/297100760.db2.gz BRXXLDXPGDHFOJ-CYBMUJFWSA-N 0 0 331.380 0.628 10 0 ECAERN Cc1nc2cncc(N3CCN([C@@H]4CCN(C5CC5)C4=O)CC3)n2n1 ZINC000333034484 297103132 /nfs/dbraw/zinc/10/31/32/297103132.db2.gz NDFQQEPXVJYIHV-CQSZACIVSA-N 0 0 341.419 0.318 10 0 ECAERN Cc1nc2n(n1)CCN(C(=O)NCc1ccc(-n3cncn3)cc1)C2 ZINC000333504804 297138581 /nfs/dbraw/zinc/13/85/81/297138581.db2.gz WPLDELPLULKYSJ-UHFFFAOYSA-N 0 0 338.375 0.893 10 0 ECAERN Cc1cc(C(=O)N2CCS(=O)(=O)C[C@H](C)C2)c2cnn(C)c2n1 ZINC000333533496 297140689 /nfs/dbraw/zinc/14/06/89/297140689.db2.gz YKNNANSDDTZZHT-SNVBAGLBSA-N 0 0 336.417 0.783 10 0 ECAERN Cc1noc(C)c1S(=O)(=O)N[C@H]1CCO[C@@H]1c1ccnn1C ZINC000337956900 297228609 /nfs/dbraw/zinc/22/86/09/297228609.db2.gz BORPHKFKSGMPHJ-JQWIXIFHSA-N 0 0 326.378 0.833 10 0 ECAERN NC(=O)COc1cccc(CNC(=O)N2C[C@@H](F)C[C@@H]2CO)c1 ZINC000347452471 298454910 /nfs/dbraw/zinc/45/49/10/298454910.db2.gz BYLFAIIMBJURDL-NWDGAFQWSA-N 0 0 325.340 0.165 10 0 ECAERN CCCCN1CCOC[C@@H]1C(=O)N1CCO[C@]2(CCO[C@H]2C)C1 ZINC000364788364 300389545 /nfs/dbraw/zinc/38/95/45/300389545.db2.gz MZTLYHAMTZBAJS-ZMSDIMECSA-N 0 0 326.437 0.894 10 0 ECAERN CO[C@H]1C[C@H](C(=O)NC2[C@H](C)CCC[C@H]2C)N(S(C)(=O)=O)C1 ZINC000364827757 300392673 /nfs/dbraw/zinc/39/26/73/300392673.db2.gz BRAIFNCOSJYAOG-FVCCEPFGSA-N 0 0 332.466 0.976 10 0 ECAERN CCCC(=O)N1CSC[C@@H]1C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000369688393 300761301 /nfs/dbraw/zinc/76/13/01/300761301.db2.gz NOZSTTIPWFVCRJ-UONOGXRCSA-N 0 0 341.477 0.621 10 0 ECAERN O=C(C[C@H]1C(=O)NCCN1Cc1ccccc1)NCc1ccncn1 ZINC000014978939 436077216 /nfs/dbraw/zinc/07/72/16/436077216.db2.gz MWUXMXXHWFAIQK-INIZCTEOSA-N 0 0 339.399 0.484 10 0 ECAERN COc1cc(C)c(S(=O)(=O)NC[C@@H]2CN(C)CCO2)cc1C ZINC000074773637 436138833 /nfs/dbraw/zinc/13/88/33/436138833.db2.gz JVJUYDNREDHCKD-CYBMUJFWSA-N 0 0 328.434 0.921 10 0 ECAERN CC1(C)NC(=O)CC[C@@H]1NS(=O)(=O)c1cn2c(n1)CCCC2 ZINC000374716137 301120992 /nfs/dbraw/zinc/12/09/92/301120992.db2.gz GJMDPMZSLFWUSN-JTQLQIEISA-N 0 0 326.422 0.555 10 0 ECAERN C[C@@H]1CN(C(=O)CN2CCN(C)[C@H](c3nccn3C)C2)C[C@H](C)O1 ZINC000375902623 301219323 /nfs/dbraw/zinc/21/93/23/301219323.db2.gz CFUIEBWXGNCLRK-ZNMIVQPWSA-N 0 0 335.452 0.344 10 0 ECAERN O=C(c1cn(Cc2cccc(F)c2)nn1)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000377210417 301331085 /nfs/dbraw/zinc/33/10/85/301331085.db2.gz UPWLVTHZSXBBBJ-UKRRQHHQSA-N 0 0 343.362 0.816 10 0 ECAERN O=C(c1ccc(Sc2ccc(C(=O)C(O)O)cc2)cc1)C(O)O ZINC000033816288 436252898 /nfs/dbraw/zinc/25/28/98/436252898.db2.gz MLRZLIYBNBMAIG-UHFFFAOYSA-N 0 0 334.349 0.825 10 0 ECAERN CC(C)C[C@@H]([NH2+]CC(=O)[O-])C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000034646545 436256757 /nfs/dbraw/zinc/25/67/57/436256757.db2.gz XWFKAYOFZLZYMZ-UONOGXRCSA-N 0 0 335.404 0.288 10 0 ECAERN C[C@H](C(=O)OC(C)(C)C)N(C)C(=O)Cn1nc2ccccn2c1=O ZINC000081450163 436346600 /nfs/dbraw/zinc/34/66/00/436346600.db2.gz WCNKXABYZSJVBH-LLVKDONJSA-N 0 0 334.376 0.685 10 0 ECAERN Cc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1ncn(C)c1Cl ZINC000081073610 436336752 /nfs/dbraw/zinc/33/67/52/436336752.db2.gz GKQXOWAIMVVXGM-MRVPVSSYSA-N 0 0 330.801 0.787 10 0 ECAERN CNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCCn3nc(C)nc32)o1 ZINC000081813352 436356090 /nfs/dbraw/zinc/35/60/90/436356090.db2.gz BTUUUCVTYJTJPL-VIFPVBQESA-N 0 0 339.377 0.353 10 0 ECAERN Cc1ccc(-c2nc(CC(=O)N3CCOC[C@@H]3C(N)=O)cs2)o1 ZINC000091783122 436461281 /nfs/dbraw/zinc/46/12/81/436461281.db2.gz PFKWTGUYMQCTGL-LLVKDONJSA-N 0 0 335.385 0.967 10 0 ECAERN Cn1cnc(CNC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(F)cc2)n1 ZINC000091887496 436462424 /nfs/dbraw/zinc/46/24/24/436462424.db2.gz UBVGDNHPKARPPQ-IUODEOHRSA-N 0 0 331.351 0.790 10 0 ECAERN NC(=O)[C@H]1COCCN1CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000092230109 436468638 /nfs/dbraw/zinc/46/86/38/436468638.db2.gz JEGSEZLMJATBBG-LLVKDONJSA-N 0 0 331.294 0.830 10 0 ECAERN CS(=O)(=O)CCN1CCN(c2c(F)c(F)nc(F)c2F)CC1 ZINC000092687583 436474454 /nfs/dbraw/zinc/47/44/54/436474454.db2.gz NOCNTJWUWQBISF-UHFFFAOYSA-N 0 0 341.330 0.805 10 0 ECAERN Cc1nc2cc(NC(=O)NC[C@@H](O)CN3CCOCC3)ccc2o1 ZINC000092929915 436477902 /nfs/dbraw/zinc/47/79/02/436477902.db2.gz LGBCGLXTZCQQGW-CYBMUJFWSA-N 0 0 334.376 0.951 10 0 ECAERN CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N2CCN(CCO)CC2)C1 ZINC000096755273 436534966 /nfs/dbraw/zinc/53/49/66/436534966.db2.gz AQSQRYKSFPMLOI-AWEZNQCLSA-N 0 0 341.452 0.770 10 0 ECAERN COCCCNC(=O)[C@@H](C)N1CCN(C(=O)N[C@@H](C)C(C)C)CC1 ZINC000103507593 436556326 /nfs/dbraw/zinc/55/63/26/436556326.db2.gz KQTGOBHIWKJYJH-LSDHHAIUSA-N 0 0 342.484 0.899 10 0 ECAERN CC(=O)N[C@@H]1CCCN(C(=O)Cc2c(C)nc3cc(=O)[nH]n3c2C)C1 ZINC000104853982 436566079 /nfs/dbraw/zinc/56/60/79/436566079.db2.gz QANJLPUXGSCARO-CYBMUJFWSA-N 0 0 345.403 0.309 10 0 ECAERN CCCCNC(=O)NC(=O)CN1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000105892044 436585390 /nfs/dbraw/zinc/58/53/90/436585390.db2.gz QJLIONWKBHLFOX-AWEZNQCLSA-N 0 0 337.424 0.518 10 0 ECAERN Cc1cnn(C[C@@H]2CN(S(=O)(=O)N3CCC[C@H](C)C3)CCO2)c1 ZINC000112094302 436632553 /nfs/dbraw/zinc/63/25/53/436632553.db2.gz VSFBXBQVAACVAF-DZGCQCFKSA-N 0 0 342.465 0.869 10 0 ECAERN Cn1c2ccccc2n(CCC(=O)N[C@@H]2CCc3ncnn3C2)c1=O ZINC000112649274 436632942 /nfs/dbraw/zinc/63/29/42/436632942.db2.gz LMYCRWUHWRWAPU-GFCCVEGCSA-N 0 0 340.387 0.453 10 0 ECAERN CCCCC(=O)N1CSC[C@@H]1C(=O)N[C@H]1CCc2ncnn2C1 ZINC000112646655 436632973 /nfs/dbraw/zinc/63/29/73/436632973.db2.gz GKNHEPWTGWISRJ-NWDGAFQWSA-N 0 0 337.449 0.801 10 0 ECAERN O=C(COc1ccc2ccc(=O)oc2c1)N[C@@H]1CCc2ncnn2C1 ZINC000112649918 436633237 /nfs/dbraw/zinc/63/32/37/436633237.db2.gz DNSTUYLQSBISQC-GFCCVEGCSA-N 0 0 340.339 0.895 10 0 ECAERN CCOc1ccccc1C(=O)NCC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000112725401 436633731 /nfs/dbraw/zinc/63/37/31/436633731.db2.gz FYZUDBYJSMEUDT-GFCCVEGCSA-N 0 0 343.387 0.538 10 0 ECAERN O=C(CCNS(=O)(=O)c1ccccc1)N[C@@H]1CCc2ncnn2C1 ZINC000112663559 436634011 /nfs/dbraw/zinc/63/40/11/436634011.db2.gz FQWWDQKQOKAEDU-GFCCVEGCSA-N 0 0 349.416 0.078 10 0 ECAERN O=c1ccc2cc(S(=O)(=O)N[C@@H]3CCc4ncnn4C3)ccc2o1 ZINC000113298883 436637367 /nfs/dbraw/zinc/63/73/67/436637367.db2.gz KENYYQWWTKEUNI-LLVKDONJSA-N 0 0 346.368 0.678 10 0 ECAERN C[C@H](C(N)=O)N(C(=O)[C@@H]([NH3+])CC(=O)[O-])C1C(C)(C)SC1(C)C ZINC000112972159 436635369 /nfs/dbraw/zinc/63/53/69/436635369.db2.gz IAQFTAYMCCMTSN-SFYZADRCSA-N 0 0 331.438 0.163 10 0 ECAERN Cc1ccccc1CN1CCN(CC(=O)N2CCCC2)C(=O)C1=O ZINC000064888715 436650498 /nfs/dbraw/zinc/65/04/98/436650498.db2.gz PQTWYHKFCBRUQO-UHFFFAOYSA-N 0 0 329.400 0.788 10 0 ECAERN CN(C)C[C@@H]1CN(C(=O)c2ccccc2S(C)(=O)=O)CCO1 ZINC000116787944 436651443 /nfs/dbraw/zinc/65/14/43/436651443.db2.gz AUFYYCOZLYJWGU-GFCCVEGCSA-N 0 0 326.418 0.493 10 0 ECAERN COC(=O)CCCNC(=O)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000115784135 436648547 /nfs/dbraw/zinc/64/85/47/436648547.db2.gz RKPPJKLSXRGNLB-UHFFFAOYSA-N 0 0 337.424 0.591 10 0 ECAERN Cn1cc([C@H]2CCN(C(=O)[C@H]3CCCCN3S(C)(=O)=O)C2)cn1 ZINC000116120946 436649148 /nfs/dbraw/zinc/64/91/48/436649148.db2.gz SGMTXJIXCNVMJI-GXTWGEPZSA-N 0 0 340.449 0.550 10 0 ECAERN COc1ccnc(N2CCN(C(=O)NCCn3cc(C)cn3)CC2)n1 ZINC000118079486 436660262 /nfs/dbraw/zinc/66/02/62/436660262.db2.gz GUPJWKYZZLLVQP-UHFFFAOYSA-N 0 0 345.407 0.522 10 0 ECAERN CCCC[C@@H](NC(=O)NCC)C(=O)N1CCC[C@@H](NC(C)=O)C1 ZINC000137324535 436657761 /nfs/dbraw/zinc/65/77/61/436657761.db2.gz LAWOBGWBIWJKSX-ZIAGYGMSSA-N 0 0 326.441 0.991 10 0 ECAERN O=c1c2ccccc2ncn1CCN1CCO[C@H](Cn2cccn2)C1 ZINC000117340010 436658127 /nfs/dbraw/zinc/65/81/27/436658127.db2.gz XCMLYWSNYPRSMN-HNNXBMFYSA-N 0 0 339.399 0.994 10 0 ECAERN CC[C@@H]1CN(C(=O)c2cccc(-n3cnnn3)c2)CCN1CCOC ZINC000117305555 436658270 /nfs/dbraw/zinc/65/82/70/436658270.db2.gz OTTPNOWXFATHKD-OAHLLOKOSA-N 0 0 344.419 0.845 10 0 ECAERN Cc1ccc(NC(=O)C(=O)N2CCO[C@@H](Cn3cccn3)C2)cn1 ZINC000120611469 436693178 /nfs/dbraw/zinc/69/31/78/436693178.db2.gz HKMVCPVXIRCAFN-CQSZACIVSA-N 0 0 329.360 0.453 10 0 ECAERN O=C(NC[C@H](O)CN1CCOCC1)Nc1cc(F)c(F)c(F)c1 ZINC000120685456 436697050 /nfs/dbraw/zinc/69/70/50/436697050.db2.gz DBIKIZNBVYGOQD-JTQLQIEISA-N 0 0 333.310 0.919 10 0 ECAERN O=S(=O)(c1ccc(Cl)cc1)N1CCNC[C@H]1CCOCCO ZINC000220603988 436698946 /nfs/dbraw/zinc/69/89/46/436698946.db2.gz MQEPAFOZWHDTPR-CYBMUJFWSA-N 0 0 348.852 0.702 10 0 ECAERN CNS(=O)(=O)c1ccc(C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)o1 ZINC000151351974 436701599 /nfs/dbraw/zinc/70/15/99/436701599.db2.gz ULLXKUQBYQVEOQ-NHYWBVRUSA-N 0 0 342.417 0.955 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)CNC(=O)c1cccnc1)CC2 ZINC000151671091 436708334 /nfs/dbraw/zinc/70/83/34/436708334.db2.gz IQALAHKOYIDGKC-LBPRGKRZSA-N 0 0 328.376 0.097 10 0 ECAERN COC(=O)c1cccc(CNC(=O)N[C@H]2CCc3ncnn3C2)c1 ZINC000151737649 436710686 /nfs/dbraw/zinc/71/06/86/436710686.db2.gz WCCDERQGCXVMJH-ZDUSSCGKSA-N 0 0 329.360 0.879 10 0 ECAERN Cc1cccnc1C(F)(F)C(=O)NC[C@@H](O)CN1CCOCC1 ZINC000194178039 436661964 /nfs/dbraw/zinc/66/19/64/436661964.db2.gz AAVJIGBLOLQMSP-GFCCVEGCSA-N 0 0 329.347 0.291 10 0 ECAERN CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N2CCNC(=O)CC2)C1 ZINC000065903019 436673878 /nfs/dbraw/zinc/67/38/78/436673878.db2.gz GYGNYAAOVWWUFD-LBPRGKRZSA-N 0 0 325.409 0.982 10 0 ECAERN CNS(=O)(=O)c1cc(C(=O)N2CCO[C@H]3CCCC[C@@H]32)co1 ZINC000120422143 436686366 /nfs/dbraw/zinc/68/63/66/436686366.db2.gz CHJCKIGJIGQHPI-RYUDHWBXSA-N 0 0 328.390 0.971 10 0 ECAERN Cc1c(C(=O)N2CCC(O)(CO)CC2)sc2ncn(C)c(=O)c12 ZINC000067725784 436721510 /nfs/dbraw/zinc/72/15/10/436721510.db2.gz JVLLJFVEXNONHE-UHFFFAOYSA-N 0 0 337.401 0.263 10 0 ECAERN CC[C@H]1CN(C(=O)CC2(CS(C)(=O)=O)CC2)CCN1C[C@H](C)O ZINC000245424841 436762033 /nfs/dbraw/zinc/76/20/33/436762033.db2.gz DBEGJFCDKUYEPV-KBPBESRZSA-N 0 0 346.493 0.505 10 0 ECAERN Cc1cc(N(C)C)cc(C)c1NC(=O)C(=O)NC[C@@H]1CN(C)CCO1 ZINC000121485363 436717375 /nfs/dbraw/zinc/71/73/75/436717375.db2.gz YECHMEJTVAPOBB-OAHLLOKOSA-N 0 0 348.447 0.755 10 0 ECAERN CN(CC(C)(C)O)C(=O)[C@H]1CCC[C@@H]1C(=O)N(C)CC(C)(C)O ZINC000127905401 436808064 /nfs/dbraw/zinc/80/80/64/436808064.db2.gz OWBVEDFJVSQGPW-STQMWFEESA-N 0 0 328.453 0.861 10 0 ECAERN CCc1nccn1[C@@H]1CCCN(S(=O)(=O)N(C)CCOC)C1 ZINC000128550831 436817183 /nfs/dbraw/zinc/81/71/83/436817183.db2.gz PZPMMPRGDPFESM-CYBMUJFWSA-N 0 0 330.454 0.905 10 0 ECAERN CC(C)CC(=O)N[C@@H](C(=O)NC[C@H]1CCCS1(=O)=O)C(C)C ZINC000154395075 436776905 /nfs/dbraw/zinc/77/69/05/436776905.db2.gz KDQNMIKKZMEMEX-TZMCWYRMSA-N 0 0 332.466 0.867 10 0 ECAERN CCc1nccn1[C@@H]1CCCN(C(=O)C(=O)Nc2ccnn2C)C1 ZINC000154559221 436780573 /nfs/dbraw/zinc/78/05/73/436780573.db2.gz ZITLDQQOCBDWKN-GFCCVEGCSA-N 0 0 330.392 0.981 10 0 ECAERN Cc1ccc(N2CCCN([C@H](C)C(=O)NC[C@@H]3CCCO3)CC2)nn1 ZINC000247248028 436792205 /nfs/dbraw/zinc/79/22/05/436792205.db2.gz SWTHXLJGBMOAND-CVEARBPZSA-N 0 0 347.463 0.981 10 0 ECAERN CCS(=O)(=O)N[C@@H](CCSC)C(=O)N1CC[C@@H](CCO)C1 ZINC000126851318 436793579 /nfs/dbraw/zinc/79/35/79/436793579.db2.gz DROQYRNLFDYQJX-RYUDHWBXSA-N 0 0 338.495 0.278 10 0 ECAERN CCNC(=O)C(C)(C)CNC(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000131204137 436849067 /nfs/dbraw/zinc/84/90/67/436849067.db2.gz YOUQDINTNCDQLP-UONOGXRCSA-N 0 0 340.468 0.511 10 0 ECAERN C[C@@H](NC(=O)NC[C@@H]1CN(C)CCO1)c1cn(-c2ccccc2)nn1 ZINC000158964780 436852244 /nfs/dbraw/zinc/85/22/44/436852244.db2.gz HHACWAOUEHQYAG-UKRRQHHQSA-N 0 0 344.419 0.958 10 0 ECAERN O=C(N[C@@H]1CN(Cc2ccncc2F)C[C@H]1CO)c1cnccn1 ZINC000257194292 436859025 /nfs/dbraw/zinc/85/90/25/436859025.db2.gz SZKONLHWGNMCQZ-SWLSCSKDSA-N 0 0 331.351 0.233 10 0 ECAERN CCOCCN1CCN(C(=O)C(=O)Nc2cnn(CC)c2)C[C@@H]1C ZINC000129825311 436830113 /nfs/dbraw/zinc/83/01/13/436830113.db2.gz CPWULYHMOBZDAC-ZDUSSCGKSA-N 0 0 337.424 0.411 10 0 ECAERN COCCN1CCN(C(=O)NC[C@@H](C)CN2CCOCC2)C[C@@H]1C ZINC000163458112 436923855 /nfs/dbraw/zinc/92/38/55/436923855.db2.gz AWNGFXVFCCNXFT-CVEARBPZSA-N 0 0 342.484 0.317 10 0 ECAERN CC(C)[C@]1(C)C[C@H]1NC(=O)N1CCO[C@@H](C[N@H+](C)CC(=O)[O-])C1 ZINC000263323002 436961871 /nfs/dbraw/zinc/96/18/71/436961871.db2.gz ASSAUXQMFHBULZ-ZENOOKHLSA-N 0 0 327.425 0.848 10 0 ECAERN C[C@H](O)[C@@H]1CCCC[N@@H+]1C[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000170957034 436962804 /nfs/dbraw/zinc/96/28/04/436962804.db2.gz OPQYUASDPDSSHZ-XEZPLFJOSA-N 0 0 332.400 0.879 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)[C@H](C(C)C)N2CCCC2=O)C1 ZINC000262797043 436941273 /nfs/dbraw/zinc/94/12/73/436941273.db2.gz LXRFVBXWAAXBLF-ZUEPYMLJSA-N 0 0 339.436 0.687 10 0 ECAERN C[N@@H+](CC(=O)[O-])C[C@H]1CN(C(=O)COc2ccc(O)cc2)CCO1 ZINC000262955875 436946969 /nfs/dbraw/zinc/94/69/69/436946969.db2.gz PMANSJGHKBCNBC-AWEZNQCLSA-N 0 0 338.360 0.015 10 0 ECAERN C[N@@H+](CC(=O)[O-])C[C@H]1CN(C(=O)[C@H]2CCc3ccccc32)CCO1 ZINC000263008668 436947409 /nfs/dbraw/zinc/94/74/09/436947409.db2.gz YFXVHUMVHZECPA-HOCLYGCPSA-N 0 0 332.400 0.960 10 0 ECAERN Cc1noc([C@@H]2COCCN2S(=O)(=O)N2CCCCCC2)n1 ZINC000183744946 302852737 /nfs/dbraw/zinc/85/27/37/302852737.db2.gz NEKGUZDEGMWXKR-LBPRGKRZSA-N 0 0 330.410 0.872 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)Nc2cc(N(C)C)ncn2)C1 ZINC000263030917 436949604 /nfs/dbraw/zinc/94/96/04/436949604.db2.gz KNRBFYWIOKKEMM-UHFFFAOYSA-N 0 0 336.396 0.602 10 0 ECAERN CN1CCO[C@H](CNC(=O)N2CCC(Nc3cccnn3)CC2)C1 ZINC000172622109 437021642 /nfs/dbraw/zinc/02/16/42/437021642.db2.gz NQZZQGYEKQGUOD-CQSZACIVSA-N 0 0 334.424 0.393 10 0 ECAERN Cn1c(=O)ccn(CC(=O)N2CCC[C@@H]2C[C@H](O)c2ccco2)c1=O ZINC000154507237 302893570 /nfs/dbraw/zinc/89/35/70/302893570.db2.gz KJZJBKZASHJIDK-OLZOCXBDSA-N 0 0 347.371 0.255 10 0 ECAERN O=C(c1ccc2[nH]c(=O)[nH]c2c1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000171882970 436991152 /nfs/dbraw/zinc/99/11/52/436991152.db2.gz OCRROQOMVCLNGS-GFCCVEGCSA-N 0 0 327.344 0.594 10 0 ECAERN C[C@@H](NC(=O)N1CCCN(Cc2cnn(C)c2)CC1)C(=O)N(C)C ZINC000172135529 437000615 /nfs/dbraw/zinc/00/06/15/437000615.db2.gz PBOGMQPKVSUPTR-CYBMUJFWSA-N 0 0 336.440 0.114 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)CNC(=O)c1ccc(F)cc1)CC2 ZINC000172284428 437007728 /nfs/dbraw/zinc/00/77/28/437007728.db2.gz BYWIFYUSOQGZOS-ZDUSSCGKSA-N 0 0 345.378 0.841 10 0 ECAERN Cc1nc(SCC(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)n[nH]1 ZINC000173417555 437047678 /nfs/dbraw/zinc/04/76/78/437047678.db2.gz DWMCBBUNOBUJGD-PWSUYJOCSA-N 0 0 325.438 0.384 10 0 ECAERN CNc1cc(N2CCC[C@H]2CNC(=O)N2CCC[C@@H]2CO)ncn1 ZINC000173425194 437050521 /nfs/dbraw/zinc/05/05/21/437050521.db2.gz CAFFUOCMPFCZMN-QWHCGFSZSA-N 0 0 334.424 0.653 10 0 ECAERN CNc1cc(N2CCC[C@@H]2CNC(=O)c2ccc(C)[nH]c2=O)ncn1 ZINC000173431783 437050533 /nfs/dbraw/zinc/05/05/33/437050533.db2.gz DPDUMDWYCKCPBP-GFCCVEGCSA-N 0 0 342.403 0.914 10 0 ECAERN Cc1nnc([C@@H]2CN(C(=O)CN3CCCCCCC3=O)CCO2)[nH]1 ZINC000173541456 437054113 /nfs/dbraw/zinc/05/41/13/437054113.db2.gz KYKXKPHNSKMCNG-ZDUSSCGKSA-N 0 0 335.408 0.806 10 0 ECAERN Cc1nnc([C@@H]2CN(C(=O)c3cnc4n[nH]c(C)c4c3)CCO2)[nH]1 ZINC000173545394 437057200 /nfs/dbraw/zinc/05/72/00/437057200.db2.gz KMWKWEMLPWDOPA-LBPRGKRZSA-N 0 0 327.348 0.907 10 0 ECAERN COC[C@@H]1C[C@H](OC)CN1C(=O)CN1CCN(c2ccccn2)CC1 ZINC000284677740 437060292 /nfs/dbraw/zinc/06/02/92/437060292.db2.gz VLZKYTPCTLREER-HOTGVXAUSA-N 0 0 348.447 0.466 10 0 ECAERN Cc1ccccc1C(=O)NCC(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000173815381 437064265 /nfs/dbraw/zinc/06/42/65/437064265.db2.gz NWIRSZCXLRSBJO-WBVHZDCISA-N 0 0 345.443 0.904 10 0 ECAERN C[C@@H](NC(=O)Cn1ccc(=O)[nH]c1=O)c1cccc(-n2ccnc2)c1 ZINC000173928361 437068560 /nfs/dbraw/zinc/06/85/60/437068560.db2.gz LUKIQWBIRGGANR-GFCCVEGCSA-N 0 0 339.355 0.600 10 0 ECAERN CN(C)c1ccc(NC(=O)C(=O)N2CC[C@H](N3CCOCC3)C2)cc1 ZINC000174010452 437072875 /nfs/dbraw/zinc/07/28/75/437072875.db2.gz IWEWFLCPIACIMK-INIZCTEOSA-N 0 0 346.431 0.624 10 0 ECAERN Cc1cccc2c1N(C(=O)C(=O)N1CC[C@H](N3CCOCC3)C1)CC2 ZINC000174010821 437073897 /nfs/dbraw/zinc/07/38/97/437073897.db2.gz IMDUMBRSDZPGJY-INIZCTEOSA-N 0 0 343.427 0.817 10 0 ECAERN CCN1C[C@@H](C(=O)N[C@H]2CCCN(c3cc(C)nn3C)C2=O)CC1=O ZINC000173067043 437037791 /nfs/dbraw/zinc/03/77/91/437037791.db2.gz XYPHJBJEIDFOMW-STQMWFEESA-N 0 0 347.419 0.209 10 0 ECAERN COCCN1CCN(C(=O)C(=O)Nc2ccc3n[nH]cc3c2)C[C@@H]1C ZINC000174896278 437088805 /nfs/dbraw/zinc/08/88/05/437088805.db2.gz GTBDAILTORGOBE-LBPRGKRZSA-N 0 0 345.403 0.681 10 0 ECAERN COCCN1CCN(C(=O)N[C@@H]2CC(=O)N(C(C)(C)C)C2)C[C@@H]1C ZINC000174900612 437090168 /nfs/dbraw/zinc/09/01/68/437090168.db2.gz FMOQEEOBBUUOHV-UONOGXRCSA-N 0 0 340.468 0.748 10 0 ECAERN COCCN1C(=O)N[C@@H]2CN(c3ccnc4c3cnn4C)CC[C@@H]21 ZINC000299740788 437107576 /nfs/dbraw/zinc/10/75/76/437107576.db2.gz BSTJLDDQBZNOGQ-OCCSQVGLSA-N 0 0 330.392 0.587 10 0 ECAERN NC(=O)[C@@H]1CN(S(=O)(=O)CC2CCOCC2)C[C@H]1C(F)(F)F ZINC000299740699 437108073 /nfs/dbraw/zinc/10/80/73/437108073.db2.gz BECMHUHKGDJXKD-NXEZZACHSA-N 0 0 344.355 0.338 10 0 ECAERN CS(=O)(=O)CC1(CNc2ncnc3nc[nH]c32)CCOCC1 ZINC000301822741 437134586 /nfs/dbraw/zinc/13/45/86/437134586.db2.gz CBPBHYHMNXBXJB-UHFFFAOYSA-N 0 0 325.394 0.606 10 0 ECAERN CCN1CCN(S(=O)(=O)CC[C@@H]2CCCO2)C[C@H]1c1ncc[nH]1 ZINC000328630452 437241073 /nfs/dbraw/zinc/24/10/73/437241073.db2.gz PWDIIBDJNGUVNZ-KBPBESRZSA-N 0 0 342.465 0.987 10 0 ECAERN O=C([O-])C[N@H+](CC1CC1)C1CC(NC(=O)c2n[nH]c3c2CCC3)C1 ZINC000328627069 437241343 /nfs/dbraw/zinc/24/13/43/437241343.db2.gz FTZBHYPUGGRWOA-UHFFFAOYSA-N 0 0 332.404 0.956 10 0 ECAERN C[C@H](C1CC1)N(C(=O)CN1CCO[C@@H](c2nncn2C)C1)C1CC1 ZINC000328629949 437241964 /nfs/dbraw/zinc/24/19/64/437241964.db2.gz IVMWOOCTHODAOL-IUODEOHRSA-N 0 0 333.436 0.978 10 0 ECAERN CCn1cnnc1[C@@H]1CN(CC(=O)N2C[C@H](C)O[C@@H](C)C2)CCO1 ZINC000328642552 437246210 /nfs/dbraw/zinc/24/62/10/437246210.db2.gz RCNWPRDGWWMMAF-IHRRRGAJSA-N 0 0 337.424 0.307 10 0 ECAERN CNC(=O)[C@H](NC(=O)C(=O)Nc1ccn(CCC(C)C)n1)C(C)C ZINC000179079169 437250331 /nfs/dbraw/zinc/25/03/31/437250331.db2.gz CFFNSFQQQSFMKK-CYBMUJFWSA-N 0 0 337.424 0.755 10 0 ECAERN O=C(CN1C[C@H](O)C[C@@H]1CO)Nc1ccc(Br)cc1F ZINC000179171075 437252059 /nfs/dbraw/zinc/25/20/59/437252059.db2.gz PQXVVVXZRCOFKM-NXEZZACHSA-N 0 0 347.184 0.954 10 0 ECAERN CNC(=O)[C@H]1CCCN1C(=O)NCc1cccc(-n2cncn2)c1 ZINC000179279541 437257965 /nfs/dbraw/zinc/25/79/65/437257965.db2.gz URYLPPGGOHGSCC-CQSZACIVSA-N 0 0 328.376 0.687 10 0 ECAERN C=CC(=O)NCCNC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccc(F)cc1 ZINC000179363891 437262661 /nfs/dbraw/zinc/26/26/61/437262661.db2.gz VOEAUAQYESUHML-CJNGLKHVSA-N 0 0 333.363 0.764 10 0 ECAERN NC(=O)[C@@H]1COCCN1C(=O)[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000180270087 437284731 /nfs/dbraw/zinc/28/47/31/437284731.db2.gz YIUMCFOAHNFKIO-QWRGUYRKSA-N 0 0 333.171 0.740 10 0 ECAERN Cc1ccc(C)n1-c1nc(CC(=O)N2CCOC[C@@H]2C(N)=O)cs1 ZINC000180276237 437285869 /nfs/dbraw/zinc/28/58/69/437285869.db2.gz JAHCEWITCFWKOF-CYBMUJFWSA-N 0 0 348.428 0.806 10 0 ECAERN COc1cccc2[nH]cc(CC(=O)NC[C@H](O)CN3CCOCC3)c21 ZINC000180318898 437287304 /nfs/dbraw/zinc/28/73/04/437287304.db2.gz VVTFITQPSQABRC-AWEZNQCLSA-N 0 0 347.415 0.528 10 0 ECAERN O=C(NC[C@@H](O)CN1CCOCC1)c1ccc(C(F)(F)F)cc1O ZINC000180382025 437289362 /nfs/dbraw/zinc/28/93/62/437289362.db2.gz IBFPXBLJPBTBDA-LLVKDONJSA-N 0 0 348.321 0.834 10 0 ECAERN O=C(NC[C@H]1COC2(CCCCC2)O1)N[C@H]1CCc2ncnn2C1 ZINC000180619691 437295873 /nfs/dbraw/zinc/29/58/73/437295873.db2.gz WGVMLCTWKSKYAG-STQMWFEESA-N 0 0 335.408 0.968 10 0 ECAERN CN(C(=O)[C@@H]1OCC(=O)N(C)[C@@H]1c1ccccc1)c1nccn1C ZINC000328981407 437296732 /nfs/dbraw/zinc/29/67/32/437296732.db2.gz DQUWCIDVKNLGPO-HUUCEWRRSA-N 0 0 328.372 0.981 10 0 ECAERN CCS(=O)(=O)C[C@@H](C)N[C@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000182348636 437346505 /nfs/dbraw/zinc/34/65/05/437346505.db2.gz RVIJCMLRLBTPAF-OLZOCXBDSA-N 0 0 342.465 0.637 10 0 ECAERN COCc1noc([C@@H](C)N2CCN(c3ccc4nncn4n3)CC2)n1 ZINC000181807471 437330586 /nfs/dbraw/zinc/33/05/86/437330586.db2.gz NTUQQCCNHRCUBF-LLVKDONJSA-N 0 0 344.379 0.537 10 0 ECAERN Cc1cc(C)cc(OCCN(C)C(=O)CN2C[C@H](O)C[C@@H]2CO)c1 ZINC000185176272 437429588 /nfs/dbraw/zinc/42/95/88/437429588.db2.gz GCMLOQOWIHURFW-HZPDHXFCSA-N 0 0 336.432 0.568 10 0 ECAERN C[C@@H](CNC(=O)c1ccc(-c2ncn(C)n2)cc1)N1CCOCC1 ZINC000183227946 437381334 /nfs/dbraw/zinc/38/13/34/437381334.db2.gz LDLQMGYSAUTPOS-ZDUSSCGKSA-N 0 0 329.404 0.933 10 0 ECAERN O=C(CNC(=O)N1CCCN(CC(F)(F)F)CC1)NCC1CC1 ZINC000183776553 437391109 /nfs/dbraw/zinc/39/11/09/437391109.db2.gz HECGSINGIKEYSL-UHFFFAOYSA-N 0 0 336.358 0.792 10 0 ECAERN CCCCN1CCOC[C@@H]1C(=O)NCCNC(=O)c1cccnc1 ZINC000184264050 437399852 /nfs/dbraw/zinc/39/98/52/437399852.db2.gz SAFLEEKYWCZXGN-OAHLLOKOSA-N 0 0 334.420 0.429 10 0 ECAERN COCC(=O)NC1CN(C(=O)c2c(C)nn3c2nc(C)cc3C)C1 ZINC000185288311 437433933 /nfs/dbraw/zinc/43/39/33/437433933.db2.gz MPVFUZYUQJEBIB-UHFFFAOYSA-N 0 0 331.376 0.242 10 0 ECAERN CCc1cnc(CCNC(=O)N2CC(NC(=O)COC)C2)s1 ZINC000185554601 437443453 /nfs/dbraw/zinc/44/34/53/437443453.db2.gz HNLHDFUUFCUQGP-UHFFFAOYSA-N 0 0 326.422 0.404 10 0 ECAERN CCN(C)C(=O)CNC(=O)N1CCO[C@H](Cn2nc(C)cc2C)C1 ZINC000186208125 437463859 /nfs/dbraw/zinc/46/38/59/437463859.db2.gz XTAJYIHZEAVXFH-AWEZNQCLSA-N 0 0 337.424 0.389 10 0 ECAERN COc1ccc(-n2nnc(C(=O)N3CCCNC(=O)[C@H]3C)c2C)cc1 ZINC000188079036 437523888 /nfs/dbraw/zinc/52/38/88/437523888.db2.gz COUAAAHERLMCKQ-GFCCVEGCSA-N 0 0 343.387 0.935 10 0 ECAERN CNS(=O)(=O)CCNC(=O)N1CCCC[C@@H]1c1nccs1 ZINC000188240335 437537137 /nfs/dbraw/zinc/53/71/37/437537137.db2.gz UMQXDNTXIYUIMM-SNVBAGLBSA-N 0 0 332.451 0.929 10 0 ECAERN CN1N=C(C(=O)N2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)CCC1=O ZINC000190586377 437630130 /nfs/dbraw/zinc/63/01/30/437630130.db2.gz IUDXIRPIKDXHIW-HNNXBMFYSA-N 0 0 343.431 0.970 10 0 ECAERN CCn1cc([C@@H]2CN([C@@H](C)C(=O)NC(=O)NC(C)C)CCO2)cn1 ZINC000190800540 437639473 /nfs/dbraw/zinc/63/94/73/437639473.db2.gz UANVVBSWPBGRAR-JSGCOSHPSA-N 0 0 337.424 0.899 10 0 ECAERN Cc1nc2ccccc2n1CC(=O)NC[C@H](O)CN1CCOCC1 ZINC000192575423 437682477 /nfs/dbraw/zinc/68/24/77/437682477.db2.gz GRGLNFFXWSFZSB-AWEZNQCLSA-N 0 0 332.404 0.154 10 0 ECAERN C[C@@H](C(=O)NC[C@H](O)CN1CCOCC1)n1cnc2ccccc21 ZINC000193130865 437703267 /nfs/dbraw/zinc/70/32/67/437703267.db2.gz SVEUHVUMBIGVDS-KBPBESRZSA-N 0 0 332.404 0.407 10 0 ECAERN C[C@@H](NC(=O)C(=O)Nc1ccccc1-n1ccnn1)[C@H]1CCCO1 ZINC000193620069 437712238 /nfs/dbraw/zinc/71/22/38/437712238.db2.gz FILBQHWGTVUEQV-BXUZGUMPSA-N 0 0 329.360 0.890 10 0 ECAERN CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N1CCN2CCCC[C@@H]2C1 ZINC000365104845 437861096 /nfs/dbraw/zinc/86/10/96/437861096.db2.gz KZXJITCGBODAMD-KGLIPLIRSA-N 0 0 345.465 0.429 10 0 ECAERN COc1ccc(C(=O)N2CC[C@@]3(C2)NC(=O)NC3=O)cc1C1CC1 ZINC000365567052 437931874 /nfs/dbraw/zinc/93/18/74/437931874.db2.gz DFTBMOHQFHRZBQ-KRWDZBQOSA-N 0 0 329.356 0.997 10 0 ECAERN CO[C@H]1C[C@H](C(=O)N2CC[C@@H](CC(C)C)C2)N(S(C)(=O)=O)C1 ZINC000366057371 438009543 /nfs/dbraw/zinc/00/95/43/438009543.db2.gz SRCADXYHIKZITP-MELADBBJSA-N 0 0 332.466 0.930 10 0 ECAERN CCCCN1CCOC[C@@H]1C(=O)N1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000366546845 438090460 /nfs/dbraw/zinc/09/04/60/438090460.db2.gz PZVANTXVOLXFTC-BFYDXBDKSA-N 0 0 326.437 0.894 10 0 ECAERN C[C@H]1CN(C(=O)N[C@@H]2CCCC[C@H]2S(C)(=O)=O)CC(=O)N1C ZINC000368138060 438291918 /nfs/dbraw/zinc/29/19/18/438291918.db2.gz DUVXNUZNFVTNII-QJPTWQEYSA-N 0 0 331.438 0.214 10 0 ECAERN COC(=O)[C@@H]1CCCN(C(=O)N[C@@H]2CCCC[C@H]2S(C)(=O)=O)C1 ZINC000368647107 438358654 /nfs/dbraw/zinc/35/86/54/438358654.db2.gz LTVIKVJTEZYDHB-JHJVBQTASA-N 0 0 346.449 0.937 10 0 ECAERN CNS(=O)(=O)c1ccc(N2CCC[C@H]2Cn2cncn2)c(F)c1 ZINC000378334360 438378160 /nfs/dbraw/zinc/37/81/60/438378160.db2.gz LWVYLJRCPBISTF-NSHDSACASA-N 0 0 339.396 0.994 10 0 ECAERN C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)NC[C@@H]1CCC[C@@H]1O)C2=O ZINC000369709445 438507556 /nfs/dbraw/zinc/50/75/56/438507556.db2.gz QUFBVBCTAIOZHR-XREXNNHRSA-N 0 0 337.420 0.764 10 0 ECAERN CCNC(=O)[C@]1(N2CCN(C(=O)OC(C)(C)C)CC2)CCOC1 ZINC000536953464 439540221 /nfs/dbraw/zinc/54/02/21/439540221.db2.gz ICOWZJKGBHEMOY-INIZCTEOSA-N 0 0 327.425 0.834 10 0 ECAERN Nc1ccn(C[C@H]2CO[C@@H](COC(=O)c3ccccc3)O2)c(=O)n1 ZINC000584662057 439606234 /nfs/dbraw/zinc/60/62/34/439606234.db2.gz SPAOUVOEZFZVRJ-GXTWGEPZSA-N 0 0 331.328 0.667 10 0 ECAERN CCOC(=O)c1cccc([C@H]2CCN(S(N)(=O)=O)CCO2)c1 ZINC000616665022 439820550 /nfs/dbraw/zinc/82/05/50/439820550.db2.gz HSYWYXSNGCBARB-CYBMUJFWSA-N 0 0 328.390 0.830 10 0 ECAERN Cc1nnc2n1C[C@H](C(=O)NCCc1nc3ccccc3[nH]1)N(C)C2 ZINC000644253110 440490872 /nfs/dbraw/zinc/49/08/72/440490872.db2.gz NGLLAMUXSZAKKG-CQSZACIVSA-N 0 0 339.403 0.636 10 0 ECAERN O=S(=O)(N[C@H]1C[C@@H](O)[C@@H]1n1cccn1)c1ccc2c(c1)CCO2 ZINC000657026472 440925050 /nfs/dbraw/zinc/92/50/50/440925050.db2.gz JOQQLNRJDDCVFM-GZBFAFLISA-N 0 0 335.385 0.471 10 0 ECAERN O=C([O-])[C@@H]1CC[C@@H](C(=O)N2CCN(c3ccc(F)cn3)CC2)C[NH2+]1 ZINC000657213403 440989711 /nfs/dbraw/zinc/98/97/11/440989711.db2.gz NFXUXYVOEWUWJE-YPMHNXCESA-N 0 0 336.367 0.322 10 0 ECAERN CCCn1nccc1C1CCN(S(=O)(=O)c2cnnn2C)CC1 ZINC000328832338 320735525 /nfs/dbraw/zinc/73/55/25/320735525.db2.gz ROEAIEAAPDQFKF-UHFFFAOYSA-N 0 0 338.437 0.990 10 0 ECAERN C[C@H]1CCN(C(=O)[C@H]2COCC(=O)N2Cc2ccccc2)C[C@@H]1O ZINC000329137684 320755391 /nfs/dbraw/zinc/75/53/91/320755391.db2.gz DJHVCBYYFHJWJJ-IMJJTQAJSA-N 0 0 332.400 0.643 10 0 ECAERN O=C(c1cccc(C(=O)N2CCN3CCOC[C@H]3C2)n1)N1CCCC1 ZINC000329687854 320785084 /nfs/dbraw/zinc/78/50/84/320785084.db2.gz VHIOTULVESPMPZ-CQSZACIVSA-N 0 0 344.415 0.474 10 0 ECAERN Cn1nncc1S(=O)(=O)N(C[C@H]1CCCO1)[C@@H]1CCSC1 ZINC000330054047 320802092 /nfs/dbraw/zinc/80/20/92/320802092.db2.gz RJDJQOUIQJQIEG-GHMZBOCLSA-N 0 0 332.451 0.490 10 0 ECAERN O=C([C@@H]1CC[C@@H](C(=O)N2CCCOCC2)O1)N1CCCOCC1 ZINC000330266723 320813559 /nfs/dbraw/zinc/81/35/59/320813559.db2.gz QBFYCMPBILBUHY-KBPBESRZSA-N 0 0 326.393 0.032 10 0 ECAERN O=C(C1CCCC1)N1CCC[C@@H]1C(=O)N1CCN2C(=O)NC[C@@H]2C1 ZINC000330275579 320814045 /nfs/dbraw/zinc/81/40/45/320814045.db2.gz LRQQKESUUUYWBL-ZIAGYGMSSA-N 0 0 334.420 0.608 10 0 ECAERN O=C(NCCNC(=O)C1CC1)N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000333268686 320914791 /nfs/dbraw/zinc/91/47/91/320914791.db2.gz NHAHSHSMFCHWAD-KGLIPLIRSA-N 0 0 336.436 0.603 10 0 ECAERN O=C(N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1)c1ccc2n[nH]c(=O)n2c1 ZINC000333267174 320914869 /nfs/dbraw/zinc/91/48/69/320914869.db2.gz NAICUNYIQDXZFU-YPMHNXCESA-N 0 0 343.387 0.956 10 0 ECAERN CCn1ncnc1CN1C[C@@H](COCC(=O)N(C)C)OC(C)(C)C1 ZINC000343331648 321133474 /nfs/dbraw/zinc/13/34/74/321133474.db2.gz ACQJUFJIVQBBOH-ZDUSSCGKSA-N 0 0 339.440 0.382 10 0 ECAERN O=C(N[C@H]1CCC(=O)N[C@@H]1[C@@H]1CCCO1)c1cnc2ccccn21 ZINC000562218924 322267682 /nfs/dbraw/zinc/26/76/82/322267682.db2.gz PIYKBUOFRKRVIX-RBOXIYTFSA-N 0 0 328.372 0.890 10 0 ECAERN C[C@@H]1CN(C(=O)c2ccc(-c3ncn(C)n3)cc2)C[C@@H](C(N)=O)O1 ZINC000184190891 534409224 /nfs/dbraw/zinc/40/92/24/534409224.db2.gz DIVWIFIDRCMJPP-MFKMUULPSA-N 0 0 329.360 0.197 10 0 ECAERN O=C(CCOCC(F)F)N1CCN(c2ccc3nncn3n2)CC1 ZINC000191916072 534437914 /nfs/dbraw/zinc/43/79/14/534437914.db2.gz XTDAWLHFVFINED-UHFFFAOYSA-N 0 0 340.334 0.445 10 0 ECAERN Cc1cnn(CCNC(=O)C(=O)Nc2ccc3c(c2)N(C)CCO3)c1 ZINC000176042488 534741206 /nfs/dbraw/zinc/74/12/06/534741206.db2.gz CRTSMHOZWWDBGP-UHFFFAOYSA-N 0 0 343.387 0.775 10 0 ECAERN CC(=O)NC1CN(C(=O)Cn2cnc3c4ccccc4oc3c2=O)C1 ZINC000191495861 526706260 /nfs/dbraw/zinc/70/62/60/526706260.db2.gz MGLZOOVZOIHGCX-UHFFFAOYSA-N 0 0 340.339 0.490 10 0 ECAERN CC(=O)NC1CN(C(=O)NCCNC(=O)c2c(F)cccc2F)C1 ZINC000190090800 526708025 /nfs/dbraw/zinc/70/80/25/526708025.db2.gz HYTFSRNYEQKPPQ-UHFFFAOYSA-N 0 0 340.330 0.225 10 0 ECAERN CC(=O)NC1CN(C(=O)N[C@H]2CCCN(c3ccccc3F)C2=O)C1 ZINC000190293773 526711386 /nfs/dbraw/zinc/71/13/86/526711386.db2.gz TVNQDNVZKVLICZ-AWEZNQCLSA-N 0 0 348.378 0.851 10 0 ECAERN COc1ccc(OC)c(S(=O)(=O)N(C)C[C@@H]2CN(C)CCO2)c1 ZINC000074774985 545685065 /nfs/dbraw/zinc/68/50/65/545685065.db2.gz MNUIODFESQGVNA-ZDUSSCGKSA-N 0 0 344.433 0.655 10 0 ECAERN CC[C@@H]1CN(S(=O)(=O)CC[C@@H]2CCCO2)CCN1C[C@@H](C)O ZINC000122736305 545757874 /nfs/dbraw/zinc/75/78/74/545757874.db2.gz UHEACNBSAGLNQI-KFWWJZLASA-N 0 0 334.482 0.662 10 0 ECAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)[C@H]1CCCCN1S(C)(=O)=O ZINC000177692712 545874376 /nfs/dbraw/zinc/87/43/76/545874376.db2.gz MGFCXPGQSLHZHE-VXGBXAGGSA-N 0 0 341.437 0.352 10 0 ECAERN O=C(Nc1cnn(CC2CC2)c1)C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000177957931 545876719 /nfs/dbraw/zinc/87/67/19/545876719.db2.gz HQGISGICVQFDTJ-OAHLLOKOSA-N 0 0 347.419 0.165 10 0 ECAERN C[C@H](NC(=O)C(=O)Nc1cnn(Cc2ccccn2)c1)[C@H]1CCCO1 ZINC000178777559 545878911 /nfs/dbraw/zinc/87/89/11/545878911.db2.gz FJBAAYULGAFIKW-SWLSCSKDSA-N 0 0 343.387 0.949 10 0 ECAERN O=S(=O)(N[C@@H]1CCOC[C@@H]1O)c1cccc(Br)c1 ZINC000625590364 547158418 /nfs/dbraw/zinc/15/84/18/547158418.db2.gz GEHZAFABVGQDBS-MNOVXSKESA-N 0 0 336.207 0.877 10 0 ECAERN O=C(c1ccc2[nH][nH]c(=O)c2c1)N1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000668378272 547640113 /nfs/dbraw/zinc/64/01/13/547640113.db2.gz NXTFIYGSTIVWTP-GJZGRUSLSA-N 0 0 330.388 0.940 10 0 ECAERN Cn1cnc(C(=O)N2CCOC[C@@H]2c2ncnn2-c2ccccc2)n1 ZINC000685849013 549722186 /nfs/dbraw/zinc/72/21/86/549722186.db2.gz SRVYABOAPAJHPZ-CYBMUJFWSA-N 0 0 339.359 0.610 10 0 ECAERN CCN1[C@]2(CCCN(C(=O)OC(C)(C)C)C2)C(=O)CS1(=O)=O ZINC000725256479 549729370 /nfs/dbraw/zinc/72/93/70/549729370.db2.gz PMKPONTWKNIZDE-AWEZNQCLSA-N 0 0 332.422 0.991 10 0 ECAERN O=C1CCCN1C1CCN(CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)CC1 ZINC000104656788 589015527 /nfs/dbraw/zinc/01/55/27/589015527.db2.gz MIRPZHRSJVIYIL-HUUCEWRRSA-N 0 0 331.416 0.982 10 0 ECAERN CCOC(=O)c1ncc(Br)c(N2CCOC[C@@H]2CO)n1 ZINC000895933672 586214266 /nfs/dbraw/zinc/21/42/66/586214266.db2.gz MFSXVPZPOWUHBG-QMMMGPOBSA-N 0 0 346.181 0.613 10 0 ECAERN Cn1cc(C(=O)N[C@H]2C[C@@H](O)[C@@H]2n2cccn2)c2ccccc2c1=O ZINC000888079217 586246828 /nfs/dbraw/zinc/24/68/28/586246828.db2.gz MDFZOKHXEBSWJO-ARFHVFGLSA-N 0 0 338.367 0.839 10 0 ECAERN Cc1noc([C@@H]2COCCN2C(=O)C2C[NH+](C3CCOCC3)C2)n1 ZINC000897361386 586305023 /nfs/dbraw/zinc/30/50/23/586305023.db2.gz GQPGETIVFWCIHV-AWEZNQCLSA-N 0 0 336.392 0.389 10 0 ECAERN Cc1nc(C)n(CCCC(=O)N[C@H]2COC[C@H]2Oc2cnn(C)c2)n1 ZINC000888093834 586348493 /nfs/dbraw/zinc/34/84/93/586348493.db2.gz WPPJAXPQVFGFEM-LSDHHAIUSA-N 0 0 348.407 0.371 10 0 ECAERN COc1ccc(CC(=O)N[C@H]2COC[C@H]2Oc2cnn(C)c2)nc1 ZINC000888093588 586348503 /nfs/dbraw/zinc/34/85/03/586348503.db2.gz ITPSDZULJZISMZ-LSDHHAIUSA-N 0 0 332.360 0.329 10 0 ECAERN Cc1cccc2c1CN(C(=O)c1cn([C@@H]3COC[C@H]3O)nn1)CC2 ZINC000888093677 586348644 /nfs/dbraw/zinc/34/86/44/586348644.db2.gz NKSFASGSDFHGEX-HZPDHXFCSA-N 0 0 328.372 0.717 10 0 ECAERN Cc1cc(C(=O)N[C@@H]2CCCC[C@@H]2Cc2nn(C)c(=O)n2C)cnn1 ZINC000888094543 586348821 /nfs/dbraw/zinc/34/88/21/586348821.db2.gz AVAYBAOSVBHVIF-TZMCWYRMSA-N 0 0 344.419 0.749 10 0 ECAERN CNC(=O)c1nc(C2CC[NH+]([C@@H]3CCN(C4CC4)C3=O)CC2)n[n-]1 ZINC000888094277 586349148 /nfs/dbraw/zinc/34/91/48/586349148.db2.gz HINDSKSAUQOQED-GFCCVEGCSA-N 0 0 332.408 0.107 10 0 ECAERN CNC(=O)[C@H]1CC(=O)N(C2CN(c3nccc(OC(C)C)n3)C2)C1 ZINC000888099064 586350495 /nfs/dbraw/zinc/35/04/95/586350495.db2.gz QEOWYFGTXTWKJJ-NSHDSACASA-N 0 0 333.392 0.047 10 0 ECAERN CC[C@@H]1CN(C(=O)C(C)C)CC[C@@H]1NC(=O)N1CCOCCN1 ZINC000893811802 586360812 /nfs/dbraw/zinc/36/08/12/586360812.db2.gz ZTQLITFGOMJPDV-KGLIPLIRSA-N 0 0 326.441 0.816 10 0 ECAERN CC(=O)NC1CN(Cc2sc(N3CCOCC3)nc2Cl)C1 ZINC000894783394 586411294 /nfs/dbraw/zinc/41/12/94/586411294.db2.gz SUWKQHLWNBPSCM-UHFFFAOYSA-N 0 0 330.841 0.953 10 0 ECAERN COCCN1C[C@H](C(=O)N2CC[C@H](n3cc(C4CC4)nn3)C2)CC1=O ZINC000899074388 586469512 /nfs/dbraw/zinc/46/95/12/586469512.db2.gz HCQBKNPWLREAKO-KGLIPLIRSA-N 0 0 347.419 0.424 10 0 ECAERN CC1=C(C)C(=O)N(CCC(=O)N2CCC[C@@H]2Cn2cccn2)C1=O ZINC000900596617 586645592 /nfs/dbraw/zinc/64/55/92/586645592.db2.gz JXOXMRRSBWCARZ-CQSZACIVSA-N 0 0 330.388 0.969 10 0 ECAERN COc1ccc(CCNC(=O)[C@H]2Cn3c(C)nnc3CN2)cc1F ZINC000818111337 587403909 /nfs/dbraw/zinc/40/39/09/587403909.db2.gz NGPOOYZPOZMUHF-CYBMUJFWSA-N 0 0 333.367 0.565 10 0 ECAERN Cc1noc(COC2CN(C(=O)[C@H]3Cc4ccccc4C(=O)O3)C2)n1 ZINC000818660075 587444087 /nfs/dbraw/zinc/44/40/87/587444087.db2.gz FTMKBXYWOFIHRT-CQSZACIVSA-N 0 0 343.339 0.887 10 0 ECAERN CCCC[C@@H]1NC(=O)N(CN2CCO[C@H](Cn3cc(C)cn3)C2)C1=O ZINC000112071749 589576945 /nfs/dbraw/zinc/57/69/45/589576945.db2.gz UPFHABUWOUQXOX-GJZGRUSLSA-N 0 0 349.435 0.960 10 0 ECAERN Cc1cnn(C[C@@H]2CN(CN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)CCO2)c1 ZINC000112072009 589576947 /nfs/dbraw/zinc/57/69/47/589576947.db2.gz CVRJQQBGUMWXCD-HRCADAONSA-N 0 0 344.415 0.801 10 0 ECAERN CCN1C(=O)CC[C@H](C(=O)N2CC3(C2)CCOC3)[C@H]1c1ccnn1C ZINC000854672912 589599243 /nfs/dbraw/zinc/59/92/43/589599243.db2.gz KAXIOFDXNPTYGX-BBRMVZONSA-N 0 0 346.431 0.969 10 0 ECAERN CCO[C@@H]1C[C@H](OC(=O)Cn2ccc(=O)n(C)c2=O)C12CCCC2 ZINC000119587557 590030290 /nfs/dbraw/zinc/03/02/90/590030290.db2.gz FFBOZMKSWXUVJF-OLZOCXBDSA-N 0 0 336.388 0.828 10 0 ECAERN Cc1nc(C)n(C[C@H]2CCCN(Cn3nc4cnccn4c3=O)C2)n1 ZINC000133042072 590676602 /nfs/dbraw/zinc/67/66/02/590676602.db2.gz MRKBMBYUOLXGBS-AWEZNQCLSA-N 0 0 342.407 0.469 10 0 ECAERN Cc1nn(C(C)C)cc1CN1CCN([C@]2(C(N)=O)CCOC2)CC1 ZINC000886026736 590786703 /nfs/dbraw/zinc/78/67/03/590786703.db2.gz RWIAAZPEKULZLE-QGZVFWFLSA-N 0 0 335.452 0.534 10 0 ECAERN CCN1CCO[C@@H](CNC(=O)Cc2[nH]cnc2C)[C@@H]1c1ccnn1C ZINC000886066099 590789939 /nfs/dbraw/zinc/78/99/39/590789939.db2.gz LSIGAUSXRLGENH-RDJZCZTQSA-N 0 0 346.435 0.572 10 0 ECAERN COc1ccccc1CC(=O)N1CCN([C@]2(C(N)=O)CCOC2)CC1 ZINC000886077916 590791965 /nfs/dbraw/zinc/79/19/65/590791965.db2.gz QXNCZORXFGENMJ-GOSISDBHSA-N 0 0 347.415 0.026 10 0 ECAERN Cc1ccc(C(=O)NC[C@H]2CCC(=O)N(C)[C@@H]2c2cnn(C)c2)nn1 ZINC000886081916 590792908 /nfs/dbraw/zinc/79/29/08/590792908.db2.gz FSBAJARTSWGDPV-WBMJQRKESA-N 0 0 342.403 0.858 10 0 ECAERN CCCc1cc(C(=O)N2CCC[C@@](O)(Cc3nncn3C)C2)no1 ZINC000886084501 590792913 /nfs/dbraw/zinc/79/29/13/590792913.db2.gz BSHPPCLWXAOANF-MRXNPFEDSA-N 0 0 333.392 0.965 10 0 ECAERN Cc1ccc(F)c(C(=O)N2CCN([C@]3(C(N)=O)CCOC3)CC2)c1 ZINC000886096468 590795681 /nfs/dbraw/zinc/79/56/81/590795681.db2.gz INFRIMBNUBTYPU-QGZVFWFLSA-N 0 0 335.379 0.536 10 0 ECAERN CC[C@H]1CN(C(=O)C(=O)Nc2ccc(F)nc2)CCN1CCOC ZINC000160368496 608659053 /nfs/dbraw/zinc/65/90/53/608659053.db2.gz GIOZTABPEHXQIU-ZDUSSCGKSA-N 0 0 338.383 0.728 10 0 ECAERN COCCN1CCN(Cn2cnc3c2ncnc3NC(C)C)CC1=O ZINC000160776633 608709960 /nfs/dbraw/zinc/70/99/60/608709960.db2.gz XOMBLYNZJRRJQL-UHFFFAOYSA-N 0 0 347.423 0.395 10 0 ECAERN O=S(=O)(c1ccc(Br)cc1)N1CCOC[C@@H]1CO ZINC000168679227 609031681 /nfs/dbraw/zinc/03/16/81/609031681.db2.gz LULWNJOPUUAYMC-JTQLQIEISA-N 0 0 336.207 0.831 10 0 ECAERN CC(=O)N1Cc2cccnc2[C@H](C(=O)NCc2cc(C)nn2C)C1 ZINC000222633684 609101967 /nfs/dbraw/zinc/10/19/67/609101967.db2.gz PTGZJBJBMYACIR-OAHLLOKOSA-N 0 0 327.388 0.886 10 0 ECAERN COCCn1cnc2oc(C)c(C(=O)NC[C@@H]3CCCO3)c2c1=O ZINC000222754433 609112357 /nfs/dbraw/zinc/11/23/57/609112357.db2.gz WBNMPEAQJJBJGQ-NSHDSACASA-N 0 0 335.360 0.853 10 0 ECAERN O=C(N[C@@H]1C[C@@H](O)[C@@H]1n1cccn1)c1cnc(C(F)(F)F)nc1 ZINC000909182495 609681406 /nfs/dbraw/zinc/68/14/06/609681406.db2.gz YHSUOLQSOVKBSH-OPRDCNLKSA-N 0 0 327.266 0.796 10 0 ECAERN CN(C)C(=O)c1cccc(C(=O)N[C@@H]2C[C@@H](O)[C@H]2n2cccn2)c1 ZINC000909171138 609684090 /nfs/dbraw/zinc/68/40/90/609684090.db2.gz XWWHQXCBGMZUBK-KFWWJZLASA-N 0 0 328.372 0.689 10 0 ECAERN Cc1ccc(C=CC(=O)NCc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)o1 ZINC000222462218 609701601 /nfs/dbraw/zinc/70/16/01/609701601.db2.gz PXFQJEDFCJEHDI-VOTSOKGWSA-N 0 0 343.343 0.191 10 0 ECAERN CN1C(=O)CO[C@H](C(=O)NCC2(CO)CC2)[C@H]1c1ccccc1F ZINC000223226280 609708869 /nfs/dbraw/zinc/70/88/69/609708869.db2.gz GHCBAUQROFHGIQ-CABCVRRESA-N 0 0 336.363 0.613 10 0 ECAERN COC(=O)c1cc2n(n1)CCN(C(=O)c1[nH]nc3c1CN(C)CC3)C2 ZINC000067847474 609725892 /nfs/dbraw/zinc/72/58/92/609725892.db2.gz XAYJUUPQIJOBSX-UHFFFAOYSA-N 0 0 344.375 0.037 10 0 ECAERN O=S(=O)(c1cnc(Cl)c(Cl)c1)N1CCOC[C@@H]1CO ZINC000168071704 609735851 /nfs/dbraw/zinc/73/58/51/609735851.db2.gz QXTGAOKHIQGYQJ-ZETCQYMHSA-N 0 0 327.189 0.770 10 0 ECAERN CSCCCNC(=O)C[C@@H]1C(=O)NCCN1Cc1ccoc1 ZINC000059423385 609737968 /nfs/dbraw/zinc/73/79/68/609737968.db2.gz VVNPEYDVEYYGQH-CYBMUJFWSA-N 0 0 325.434 0.839 10 0 ECAERN CC(C)Nc1ncnc2c1ncn2CN(C)CCS(C)(=O)=O ZINC000170903034 609754131 /nfs/dbraw/zinc/75/41/31/609754131.db2.gz RCZHZLCRZRHTSW-UHFFFAOYSA-N 0 0 326.426 0.581 10 0 ECAERN COCCn1cnn(CN2CC[C@@H](N3CCOCC3)C2)c1=S ZINC000172961773 609777328 /nfs/dbraw/zinc/77/73/28/609777328.db2.gz SURAZKZZXQZMSR-CYBMUJFWSA-N 0 0 327.454 0.424 10 0 ECAERN COC(=O)c1ncn(CN2CCC[C@H](Cn3nc(C)nc3C)C2)n1 ZINC000152738078 609877452 /nfs/dbraw/zinc/87/74/52/609877452.db2.gz RETATPHYXASMCO-ZDUSSCGKSA-N 0 0 333.396 0.643 10 0 ECAERN COc1ccc(CNC(=O)/C=C\C(=O)N2CCOC[C@H]2CO)cc1 ZINC000912415111 609955139 /nfs/dbraw/zinc/95/51/39/609955139.db2.gz GPAGNYGIVQUPGR-LMVHVUTASA-N 0 0 334.372 0.087 10 0 ECAERN C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC000912754262 610003954 /nfs/dbraw/zinc/00/39/54/610003954.db2.gz CWHZLANOJHDQJS-LOWDOPEQSA-N 0 0 328.409 0.898 10 0 ECAERN COc1cccc(C[C@@H]2CN(Cc3cc(=O)[nH]c(=O)[nH]3)CCO2)c1 ZINC000071765460 610704548 /nfs/dbraw/zinc/70/45/48/610704548.db2.gz JJFGJYXNRYSGMC-OAHLLOKOSA-N 0 0 331.372 0.928 10 0 ECAERN CC(C)C[C@@H]1NC(=O)N(CN2CCO[C@@H](Cn3cccn3)C2)C1=O ZINC000247028642 612713866 /nfs/dbraw/zinc/71/38/66/612713866.db2.gz KBBNBIZJOAZSHG-KGLIPLIRSA-N 0 0 335.408 0.508 10 0 ECAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCN(c2ncccn2)CC1 ZINC000175882774 282097655 /nfs/dbraw/zinc/09/76/55/282097655.db2.gz WQHYGTAQJFMRGD-ZDUSSCGKSA-N 0 0 342.407 0.743 10 0 ECAERN NC(=O)c1cccc(CNC(=O)N2CCC[C@@H](n3cncn3)C2)c1 ZINC000173874592 231057682 /nfs/dbraw/zinc/05/76/82/231057682.db2.gz MVIICQKBOZDZFI-CQSZACIVSA-N 0 0 328.376 0.924 10 0 ECAERN C[C@H]1CN(C(=O)c2cccc(-n3cnnn3)c2)C[C@H]1N1CCOCC1 ZINC000173861269 231053816 /nfs/dbraw/zinc/05/38/16/231053816.db2.gz BFSXZSKTCAKBPK-XJKSGUPXSA-N 0 0 342.403 0.455 10 0 ECAERN CNC(=O)C[C@@H]1C(=O)NCCN1Cc1c(C)cc(C)c(CO)c1C ZINC000055575412 214331002 /nfs/dbraw/zinc/33/10/02/214331002.db2.gz KEUQQQWJLYZZNZ-MRXNPFEDSA-N 0 0 333.432 0.541 10 0 ECAERN Cc1cc(N2CCC[C@@H](NC(=O)c3ccc[nH]c3=O)C2=O)n(C)n1 ZINC000174996189 231363227 /nfs/dbraw/zinc/36/32/27/231363227.db2.gz UQMRHIZQAXKAAS-GFCCVEGCSA-N 0 0 329.360 0.755 10 0 ECAERN CCCn1c(=O)[nH]nc1S(=O)(=O)Cc1cccc2c1OCCO2 ZINC000058331284 214549658 /nfs/dbraw/zinc/54/96/58/214549658.db2.gz ONMOXCJGYBUZAV-UHFFFAOYSA-N 0 0 339.373 0.727 10 0 ECAERN CCC(CC)[C@H](C(=O)NC[C@H]1CN(C)CCO1)N1CCOCC1 ZINC000173337802 282255144 /nfs/dbraw/zinc/25/51/44/282255144.db2.gz MYNSXNTVKUKFDG-JKSUJKDBSA-N 0 0 327.469 0.570 10 0 ECAERN CCCC(=O)N[C@H]1CCCN(C(=O)NC[C@@H](C)N2CCOCC2)C1 ZINC000101786251 219164918 /nfs/dbraw/zinc/16/49/18/219164918.db2.gz ZDPQSAIMVGGSQZ-CABCVRRESA-N 0 0 340.468 0.797 10 0 ECAERN C[C@H](NC(=O)c1ccoc1)C(=O)N1CCC[C@H](Cn2cncn2)C1 ZINC000126810493 222754681 /nfs/dbraw/zinc/75/46/81/222754681.db2.gz WKWYISLNRZJMRQ-STQMWFEESA-N 0 0 331.376 0.928 10 0 ECAERN Cn1c(O)c(Cc2ccccc2)c(=O)c2c(=O)n(C)c(=O)n(C)c21 ZINC000104331604 219375358 /nfs/dbraw/zinc/37/53/58/219375358.db2.gz BAHDZUDPHGXVLJ-UHFFFAOYSA-N 0 0 327.340 0.232 10 0 ECAERN COC(=O)c1ccccc1N1C[C@@H](C(=O)N2CCOCC2)CC1=O ZINC000002007470 209811187 /nfs/dbraw/zinc/81/11/87/209811187.db2.gz IUXOHNXARPHURE-LBPRGKRZSA-N 0 0 332.356 0.685 10 0 ECAERN Cc1nc2c(cnn2C)c(N2CCN(CC(=O)OCC(C)C)CC2)n1 ZINC000181452428 234191165 /nfs/dbraw/zinc/19/11/65/234191165.db2.gz WCSTWXGSPMBPEY-UHFFFAOYSA-N 0 0 346.435 0.993 10 0 ECAERN Cc1ccc(Cl)c(OC[C@H](O)CN2CCOC[C@@H]2C(N)=O)c1 ZINC000182633001 234699761 /nfs/dbraw/zinc/69/97/61/234699761.db2.gz GRFGYWPBFPFKTJ-DGCLKSJQSA-N 0 0 328.796 0.574 10 0 ECAERN Cn1c(N)c(NC(=O)c2ccc(C(F)(F)F)cc2)c(=O)n(C)c1=O ZINC000039125250 213231369 /nfs/dbraw/zinc/23/13/69/213231369.db2.gz HQMGSGYCOBADPF-UHFFFAOYSA-N 0 0 342.277 0.937 10 0 ECAERN CCOc1cc(C)nc(N2CCN(C(=O)c3cnsn3)CC2)n1 ZINC000105820288 219541832 /nfs/dbraw/zinc/54/18/32/219541832.db2.gz YMPNELLMISUWIA-UHFFFAOYSA-N 0 0 334.405 0.998 10 0 ECAERN COCC(=O)NC1CN(C(=O)c2cc(C)n(-c3cc(C)on3)c2C)C1 ZINC000185300147 235635093 /nfs/dbraw/zinc/63/50/93/235635093.db2.gz HYHUVTLVACWUAN-UHFFFAOYSA-N 0 0 346.387 0.978 10 0 ECAERN COCC(=O)NC1CN(C(=O)NCc2coc(-c3ccccc3)n2)C1 ZINC000185523661 235687333 /nfs/dbraw/zinc/68/73/33/235687333.db2.gz AIJSKGJITGPDHJ-UHFFFAOYSA-N 0 0 344.371 0.998 10 0 ECAERN CC(C)NC(=O)CNS(=O)(=O)Cc1cccc(C(N)=S)c1 ZINC000038005330 213189016 /nfs/dbraw/zinc/18/90/16/213189016.db2.gz ZNFNGNHIMCXJIF-UHFFFAOYSA-N 0 0 329.447 0.265 10 0 ECAERN O=C(Nc1cccc2[nH]ccc21)C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000187981409 236368479 /nfs/dbraw/zinc/36/84/79/236368479.db2.gz WPVPCSDOQTZWJW-UHFFFAOYSA-N 0 0 326.356 0.843 10 0 ECAERN O=C(c1cc(N2CCNC(=O)C2)ccn1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000189908805 237387199 /nfs/dbraw/zinc/38/71/99/237387199.db2.gz PVAJPKXEEUNPMB-HOTGVXAUSA-N 0 0 344.415 0.801 10 0 ECAERN Cc1cc(N2CCC[C@H](NC(=O)c3snnc3C)C2=O)n(C)n1 ZINC000191437497 239110119 /nfs/dbraw/zinc/11/01/19/239110119.db2.gz YAKYULFNKKECSC-JTQLQIEISA-N 0 0 334.405 0.814 10 0 ECAERN Cc1cccc(C[C@@H](CO)NC(=O)NC[C@@H](C)N2CCOCC2)c1 ZINC000191939564 239393880 /nfs/dbraw/zinc/39/38/80/239393880.db2.gz FEBXIBWLDPXKID-WBVHZDCISA-N 0 0 335.448 0.918 10 0 ECAERN CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1ccc2ccccc2n1 ZINC000074349682 216478445 /nfs/dbraw/zinc/47/84/45/216478445.db2.gz QTMQHAKKBRBOIP-OAHLLOKOSA-N 0 0 347.440 0.970 10 0 ECAERN Cc1csc([C@@H]2CN(C(=O)NCCN3CCOCC3)CCO2)n1 ZINC000193276343 240088976 /nfs/dbraw/zinc/08/89/76/240088976.db2.gz MFXLFNDZRFMNOI-ZDUSSCGKSA-N 0 0 340.449 0.867 10 0 ECAERN CCCCOC[C@@H](O)Cn1c(=O)c(F)cn([C@H]2CCCO2)c1=O ZINC000193385532 240141367 /nfs/dbraw/zinc/14/13/67/240141367.db2.gz AHZVXSQCDDHTHI-WCQYABFASA-N 0 0 330.356 0.636 10 0 ECAERN CC[C@@H]1CN(C(=O)C(=O)Nc2cccc(C)n2)CCN1C[C@@H](C)O ZINC000193471710 240179454 /nfs/dbraw/zinc/17/94/54/240179454.db2.gz BHCZXRCESSGKRI-ZIAGYGMSSA-N 0 0 334.420 0.632 10 0 ECAERN Cc1nc(NC(=O)C(=O)N2CC(NC(=O)C3CCC3)C2)sc1C ZINC000193483603 240180985 /nfs/dbraw/zinc/18/09/85/240180985.db2.gz DCHZWPMZPPJJAF-UHFFFAOYSA-N 0 0 336.417 0.826 10 0 ECAERN CCCCOC[C@@H](O)Cn1cnc2c1ncnc2N1CCOCC1 ZINC000193380866 240137622 /nfs/dbraw/zinc/13/76/22/240137622.db2.gz ATMUPDHZOMRXMX-ZDUSSCGKSA-N 0 0 335.408 0.841 10 0 ECAERN COCC(=O)N1CCc2c(sc3[nH]c(=O)n(C(C)C)c(=O)c23)C1 ZINC000022326261 212290674 /nfs/dbraw/zinc/29/06/74/212290674.db2.gz ZDCMQXTYYUYHTB-UHFFFAOYSA-N 0 0 337.401 0.863 10 0 ECAERN Cc1cc(O)cc(=O)n1CC(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000132863817 223369245 /nfs/dbraw/zinc/36/92/45/223369245.db2.gz QXLZWNCWXGBTPT-IUODEOHRSA-N 0 0 335.404 0.041 10 0 ECAERN CCC(=O)NCCCCCCNC(=S)NC1=CCS(=O)(=O)C1 ZINC000227128334 242121479 /nfs/dbraw/zinc/12/14/79/242121479.db2.gz YXFGFFKAEXXSIB-UHFFFAOYSA-N 0 0 347.506 0.849 10 0 ECAERN C[C@H](O)CN1CCN(S(=O)(=O)Cc2ccc(Cl)nc2)C[C@@H]1C ZINC000246329677 243231281 /nfs/dbraw/zinc/23/12/81/243231281.db2.gz ZWBCADPAXGJDIL-RYUDHWBXSA-N 0 0 347.868 0.952 10 0 ECAERN COC(=O)CNC(=O)CN1C[C@H](O)C[C@H]1c1cc(F)ccc1F ZINC000246946558 243338024 /nfs/dbraw/zinc/33/80/24/243338024.db2.gz ZNVPIXCJPPVNEL-MFKMUULPSA-N 0 0 328.315 0.362 10 0 ECAERN NC(=O)NC(=O)CN1c2cccc(Br)c2C(=O)C1=O ZINC000019966732 212090875 /nfs/dbraw/zinc/09/08/75/212090875.db2.gz BVFHGMNPOYVCID-UHFFFAOYSA-N 0 0 326.106 0.173 10 0 ECAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N(C)CCn1cccn1 ZINC000110434376 220036771 /nfs/dbraw/zinc/03/67/71/220036771.db2.gz XSQRWKXTVBXXFU-CYBMUJFWSA-N 0 0 328.438 0.546 10 0 ECAERN C[C@@H](NC(=O)CN1CCOC[C@@H]1C(N)=O)c1ccc(Cl)cc1 ZINC000092229852 218127952 /nfs/dbraw/zinc/12/79/52/218127952.db2.gz BSQYLWRYYFOSHH-ZWNOBZJWSA-N 0 0 325.796 0.703 10 0 ECAERN O=C(NC[C@H](O)CN1CCOCC1)Nc1ccc(C(F)(F)F)nc1 ZINC000093094454 218192571 /nfs/dbraw/zinc/19/25/71/218192571.db2.gz FCXCBKSVCNCNLK-NSHDSACASA-N 0 0 348.325 0.915 10 0 ECAERN O=C(c1cccnc1)N1CCn2c(CN3CCCC3=O)nnc2C1 ZINC000096084944 218582868 /nfs/dbraw/zinc/58/28/68/218582868.db2.gz SWAGNGKWOZQMSI-UHFFFAOYSA-N 0 0 326.360 0.452 10 0 ECAERN O=C(CNC(=O)c1ccco1)OCc1cc(=O)n2ccsc2n1 ZINC000006100827 210589975 /nfs/dbraw/zinc/58/99/75/210589975.db2.gz CAWPMFAMUXCVNB-UHFFFAOYSA-N 0 0 333.325 0.822 10 0 ECAERN CC(C)CCn1ccc(NC(=O)C(=O)N2CC(NC(=O)C3CC3)C2)n1 ZINC000187988165 207725544 /nfs/dbraw/zinc/72/55/44/207725544.db2.gz NZANCPPNOCGTPX-UHFFFAOYSA-N 0 0 347.419 0.605 10 0 ECAERN CC(=O)N[C@@H]1CCCN(C(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)C1 ZINC000411483280 208108059 /nfs/dbraw/zinc/10/80/59/208108059.db2.gz BKJAFPAEBXJNCU-DGCLKSJQSA-N 0 0 343.383 0.798 10 0 ECAERN CNc1cc(N2CCC[C@H]2CNC(=O)Nc2ncnn2C)ncn1 ZINC000181258234 533053758 /nfs/dbraw/zinc/05/37/58/533053758.db2.gz QPCZANFUARDSMF-JTQLQIEISA-N 0 0 331.384 0.437 10 0 ECAERN COCC(=O)NC1CN(S(=O)(=O)c2ccc3ccccc3c2)C1 ZINC000187714539 533064194 /nfs/dbraw/zinc/06/41/94/533064194.db2.gz XRMNZSNYELIGMV-UHFFFAOYSA-N 0 0 334.397 0.975 10 0 ECAERN CCOC(=O)[C@@H](C)Sc1nc(C)nc2c1c(=O)n(C)c(=O)n2C ZINC000004960322 210341096 /nfs/dbraw/zinc/34/10/96/210341096.db2.gz WCDFIWUPBDPVET-SSDOTTSWSA-N 0 0 338.389 0.379 10 0 ECAERN C[C@H]1Oc2c(cccc2C(=O)N[C@H]2CCc3ncnn3C2)NC1=O ZINC000112657113 220367267 /nfs/dbraw/zinc/36/72/67/220367267.db2.gz DHSUBZQCGJEWQA-ZJUUUORDSA-N 0 0 327.344 0.742 10 0 ECAERN O=C(CNC(=O)N[C@H]1CCc2ncnn2C1)Nc1cccc(F)c1 ZINC000112747035 220395994 /nfs/dbraw/zinc/39/59/94/220395994.db2.gz JYSJHLOFVMZBQS-LBPRGKRZSA-N 0 0 332.339 0.670 10 0 ECAERN COC(=O)[C@@]1(C)CCCN1C(=O)Cc1ccc(-n2cnnn2)cc1 ZINC000187671469 533122017 /nfs/dbraw/zinc/12/20/17/533122017.db2.gz SLTGMRALEDFYCG-MRXNPFEDSA-N 0 0 329.360 0.759 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)N[C@@H](C)CS(=O)(=O)CC)CC2 ZINC000114968763 220795906 /nfs/dbraw/zinc/79/59/06/220795906.db2.gz YLAFXPXUHVKILJ-QWRGUYRKSA-N 0 0 343.453 0.278 10 0 ECAERN COCCCS(=O)(=O)N1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC000116899788 221008208 /nfs/dbraw/zinc/00/82/08/221008208.db2.gz HVYPVBFLLZGXCZ-AWEZNQCLSA-N 0 0 330.454 0.973 10 0 ECAERN CCOCCN1CCN(C(=O)CS(=O)(=O)CC(C)C)C[C@H]1C ZINC000117274620 221040219 /nfs/dbraw/zinc/04/02/19/221040219.db2.gz YEUTVWGVUSXGPM-CQSZACIVSA-N 0 0 334.482 0.626 10 0 ECAERN CCOCCN1CCN(C(=O)CNC(=O)c2ccccc2)C[C@@H]1C ZINC000117275500 221041238 /nfs/dbraw/zinc/04/12/38/221041238.db2.gz NFRKKTOAHYKIJO-HNNXBMFYSA-N 0 0 333.432 0.986 10 0 ECAERN CCCCCS(=O)(=O)CC(=O)N1CCN(CCOC)[C@H](C)C1 ZINC000117284133 221042881 /nfs/dbraw/zinc/04/28/81/221042881.db2.gz NJMOMNSBHJXJOC-CQSZACIVSA-N 0 0 334.482 0.771 10 0 ECAERN COCCN1CCN(C(=O)CNC(=O)NCc2ccco2)C[C@@H]1C ZINC000117290804 221045360 /nfs/dbraw/zinc/04/53/60/221045360.db2.gz IFVIDQIMNUZDEL-ZDUSSCGKSA-N 0 0 338.408 0.258 10 0 ECAERN CC[C@H]1CN(C(=O)[C@@H](C)NC(=O)c2ccoc2)CCN1CCOC ZINC000117299442 221049743 /nfs/dbraw/zinc/04/97/43/221049743.db2.gz BYODUECLSDLFLR-HIFRSBDPSA-N 0 0 337.420 0.967 10 0 ECAERN CCOCCN1CCN(C(=O)C(=O)Nc2cnccc2C)C[C@H]1C ZINC000117521792 221072973 /nfs/dbraw/zinc/07/29/73/221072973.db2.gz GKFGJFGDUOKEMN-CQSZACIVSA-N 0 0 334.420 0.898 10 0 ECAERN CCN(CCCNC(=O)NCCn1cc(C)cn1)S(C)(=O)=O ZINC000118063809 221110695 /nfs/dbraw/zinc/11/06/95/221110695.db2.gz QQPAWLAWKYNYSB-UHFFFAOYSA-N 0 0 331.442 0.162 10 0 ECAERN CN1CCO[C@H](CNC(=O)C(=O)Nc2ccc(F)cc2Cl)C1 ZINC000118115925 221120828 /nfs/dbraw/zinc/12/08/28/221120828.db2.gz PUWBYDXAXJZJQI-SNVBAGLBSA-N 0 0 329.759 0.864 10 0 ECAERN CN1CCO[C@@H](CNC(=O)C(=O)Nc2ccc(F)c(Cl)c2)C1 ZINC000118115495 221121304 /nfs/dbraw/zinc/12/13/04/221121304.db2.gz UVSCDNLNZPMJQK-JTQLQIEISA-N 0 0 329.759 0.864 10 0 ECAERN O=C1NC2(CCCC2)C(=O)N1CCN1CCO[C@H](Cn2cccn2)C1 ZINC000119260636 221278592 /nfs/dbraw/zinc/27/85/92/221278592.db2.gz DMASIBZCUUGFKZ-AWEZNQCLSA-N 0 0 347.419 0.449 10 0 ECAERN CN(C)c1ncc(NC(=O)C(=O)N2CCN3CCCC[C@H]3C2)cn1 ZINC000119237275 221272996 /nfs/dbraw/zinc/27/29/96/221272996.db2.gz BOXCBXMJIWGKKZ-ZDUSSCGKSA-N 0 0 332.408 0.178 10 0 ECAERN CN1CCN(c2ncc(CN3CCC[C@@H](n4cncn4)C3)cn2)CC1 ZINC000119517591 221337629 /nfs/dbraw/zinc/33/76/29/221337629.db2.gz GEOWNVBWFUGPQC-MRXNPFEDSA-N 0 0 342.451 0.657 10 0 ECAERN O=CN1CCN([C@H]2CCc3c2[nH]c(=O)n(C2CCCCC2)c3=O)CC1 ZINC000032603990 296442005 /nfs/dbraw/zinc/44/20/05/296442005.db2.gz KRHVGCWJZYKRBT-HNNXBMFYSA-N 0 0 346.431 0.803 10 0 ECAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)CCNC(=O)C(C)(C)C ZINC000155373873 224407518 /nfs/dbraw/zinc/40/75/18/224407518.db2.gz QPVCDLPZHYDNTG-NSHDSACASA-N 0 0 337.424 0.928 10 0 ECAERN CN(C)S(=O)(=O)N1CC2(C1)C[C@@H](OCc1ccncc1)CCO2 ZINC000247954018 257673330 /nfs/dbraw/zinc/67/33/30/257673330.db2.gz NLYPKKRTSLDWHK-AWEZNQCLSA-N 0 0 341.433 0.638 10 0 ECAERN CNC(=O)[C@@H]1C[C@H]2CN(C(=O)c3ccc(C)nc3)C[C@H]2N1C(C)=O ZINC000247900649 257674197 /nfs/dbraw/zinc/67/41/97/257674197.db2.gz ATSHETURAIKXEC-SOUVJXGZSA-N 0 0 330.388 0.197 10 0 ECAERN CS(=O)(=O)NC[C@@H]1CO[C@H]2CN(C(=O)CC3=CCCCC3)C[C@@H]12 ZINC000247511849 257682510 /nfs/dbraw/zinc/68/25/10/257682510.db2.gz INZZBILREJTOHI-ILXRZTDVSA-N 0 0 342.461 0.900 10 0 ECAERN CC(C)n1nnnc1Cn1nnc2c(cnn2-c2ccccc2)c1=O ZINC000156204801 296704068 /nfs/dbraw/zinc/70/40/68/296704068.db2.gz MXCABYNFPAMTQN-UHFFFAOYSA-N 0 0 337.347 0.593 10 0 ECAERN CCO[C@H]1C[C@@H](NC(=O)c2cc(C(N)=O)cn2C)C12CCOCC2 ZINC000187075543 286485410 /nfs/dbraw/zinc/48/54/10/286485410.db2.gz FWAJEZPNGARQFT-KGLIPLIRSA-N 0 0 335.404 0.828 10 0 ECAERN CC1(C)CO[C@H](c2ccccc2)CN1C(=O)c1cn(CC(N)=O)nn1 ZINC000079957568 164620228 /nfs/dbraw/zinc/62/02/28/164620228.db2.gz DYSYIZWMSSPUSR-AWEZNQCLSA-N 0 0 343.387 0.756 10 0 ECAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)N[C@@H]1CCc3ncnn3C1)CC2 ZINC000172604369 164846112 /nfs/dbraw/zinc/84/61/12/164846112.db2.gz YXNXZESZVFQUBE-VXGBXAGGSA-N 0 0 344.423 0.622 10 0 ECAERN CCC(CC)[C@H](C(=O)NC[C@H](C)N1CCOCC1)N1CCOCC1 ZINC000173067333 164851387 /nfs/dbraw/zinc/85/13/87/164851387.db2.gz QQWJAKDBKHMIPE-DOTOQJQBSA-N 0 0 341.496 0.960 10 0 ECAERN Cn1nc(C(=O)N2CC[C@@H](N3CCOCC3)C2)cc1OC(F)F ZINC000185687984 164975830 /nfs/dbraw/zinc/97/58/30/164975830.db2.gz HBGHSWJCGUBHJB-SNVBAGLBSA-N 0 0 330.335 0.568 10 0 ECAERN COCC(=O)NC1CN(C(=O)NCc2ccccc2-n2cccn2)C1 ZINC000188541881 164999471 /nfs/dbraw/zinc/99/94/71/164999471.db2.gz AOLPWPMSZWOQRY-UHFFFAOYSA-N 0 0 343.387 0.529 10 0 ECAERN C[C@@H]1C(=O)NCCCN1CC(=O)N1CCN(Cc2ccco2)CC1 ZINC000189272677 165008762 /nfs/dbraw/zinc/00/87/62/165008762.db2.gz HJLVWJAPQYDEHX-CQSZACIVSA-N 0 0 334.420 0.134 10 0 ECAERN O=C(NC1CN(C(=O)C2CCN(C(=O)N3CCCC3)CC2)C1)C1CC1 ZINC000189373974 165010102 /nfs/dbraw/zinc/01/01/02/165010102.db2.gz KOGLDFYEZBTRME-UHFFFAOYSA-N 0 0 348.447 0.651 10 0 ECAERN CN(C)c1ncc(NC(=O)C(=O)N2CCCC[C@@H]2c2cn[nH]c2)cn1 ZINC000190143320 165019715 /nfs/dbraw/zinc/01/97/15/165019715.db2.gz WPJALCVFRNUBHI-CYBMUJFWSA-N 0 0 343.391 0.958 10 0 ECAERN CC(=O)NC1CN(C(=O)[C@H]2CCCN2C(=O)Cc2ccccc2)C1 ZINC000190485463 165020805 /nfs/dbraw/zinc/02/08/05/165020805.db2.gz RVXZQSTYLNDIIN-MRXNPFEDSA-N 0 0 329.400 0.567 10 0 ECAERN C[C@H]1C(=O)NCCCN1C(=O)C(=O)Nc1ccc2ncccc2c1 ZINC000190679772 165023972 /nfs/dbraw/zinc/02/39/72/165023972.db2.gz GKDOYEDYZQCDDF-NSHDSACASA-N 0 0 326.356 0.910 10 0 ECAERN C[C@@H]1C(=O)NCCCN1C(=O)C(=O)N1CCCc2ccc(F)cc21 ZINC000190670813 165024704 /nfs/dbraw/zinc/02/47/04/165024704.db2.gz NJFQUDNJALLDPF-LLVKDONJSA-N 0 0 333.363 0.842 10 0 ECAERN CCN(C)C(=O)[C@@H](C)NC(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000190797137 165025960 /nfs/dbraw/zinc/02/59/60/165025960.db2.gz JMMLWUNQCPENME-VXGBXAGGSA-N 0 0 336.440 0.882 10 0 ECAERN CN1CCO[C@H](CNC(=O)C(=O)Nc2ccc(C(F)(F)F)cn2)C1 ZINC000193283974 165055178 /nfs/dbraw/zinc/05/51/78/165055178.db2.gz BLQTZVNFZGMFIP-SNVBAGLBSA-N 0 0 346.309 0.486 10 0 ECAERN CCCC(=O)N[C@H]1CCCN([C@H](C)c2nc(N)nc(N(C)C)n2)C1 ZINC000245202427 165103184 /nfs/dbraw/zinc/10/31/84/165103184.db2.gz YZQYKJIKGKTCHZ-NEPJUHHUSA-N 0 0 335.456 0.962 10 0 ECAERN CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)N2CCC[C@H]2c2cnn(C)c2)O1 ZINC000246116058 165122523 /nfs/dbraw/zinc/12/25/23/165122523.db2.gz QFTAHAOBGFBRIT-KKUMJFAQSA-N 0 0 349.435 0.902 10 0 ECAERN C[C@@H](C(=O)N(C)CC(=O)NC1CC1)N1CC[C@@H](Oc2cccnc2)C1 ZINC000246781106 165142709 /nfs/dbraw/zinc/14/27/09/165142709.db2.gz QUYUFCBAYXFNFV-XJKSGUPXSA-N 0 0 346.431 0.660 10 0 ECAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NC[C@H]1CCC[C@H](O)C1 ZINC000247460895 165162275 /nfs/dbraw/zinc/16/22/75/165162275.db2.gz QZYMTTIMIIFULZ-MELADBBJSA-N 0 0 332.466 0.858 10 0 ECAERN CCOCCN1CCN([C@H]2CCCN(c3ccn(C)n3)C2=O)C[C@@H]1C ZINC000247705755 165167510 /nfs/dbraw/zinc/16/75/10/165167510.db2.gz YUXJSXDSMPLEPH-HOTGVXAUSA-N 0 0 349.479 0.958 10 0 ECAERN COCCc1cc(NC(=O)C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)n(C)n1 ZINC000249198598 165195584 /nfs/dbraw/zinc/19/55/84/165195584.db2.gz QMOBRMQFKGZVIW-OCCSQVGLSA-N 0 0 349.435 0.243 10 0 ECAERN CN(C(=O)[C@H]1CCCN(C(N)=O)C1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000252449957 165207471 /nfs/dbraw/zinc/20/74/71/165207471.db2.gz PYKRHCITWCIFPI-UONOGXRCSA-N 0 0 346.435 0.695 10 0 ECAERN CCS(=O)(=O)Nc1ccc(NC(=O)C2([NH3+])CCOCC2)cc1 ZINC000262333968 165330271 /nfs/dbraw/zinc/33/02/71/165330271.db2.gz STCDBDAPVQCNAI-UHFFFAOYSA-N 0 0 327.406 0.895 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)CCCNC(=O)C2CC2)C1 ZINC000262702329 165377000 /nfs/dbraw/zinc/37/70/00/165377000.db2.gz ILONUDYDCUOXTF-UHFFFAOYSA-N 0 0 325.409 0.347 10 0 ECAERN CC(C)S(=O)(=O)CC(=O)NC1CC([N@@H+](CC(=O)[O-])CC2CC2)C1 ZINC000262747345 165382113 /nfs/dbraw/zinc/38/21/13/165382113.db2.gz XNZWUMOORJMZSJ-UHFFFAOYSA-N 0 0 346.449 0.253 10 0 ECAERN C[N@@H+](CC(=O)[O-])C[C@@H]1CN(C(=O)c2cc(F)cc(F)c2)CCO1 ZINC000262864996 165397055 /nfs/dbraw/zinc/39/70/55/165397055.db2.gz BUUFRPGUVLYUCB-CYBMUJFWSA-N 0 0 328.315 0.822 10 0 ECAERN O=C(CO)N1CCN(c2nnc(Cc3ccccc3F)s2)CC1 ZINC000302115983 296895827 /nfs/dbraw/zinc/89/58/27/296895827.db2.gz BZRGKXBQQXDWEO-UHFFFAOYSA-N 0 0 336.392 0.909 10 0 ECAERN O=C(NCC[S@](=O)Cc1ccccc1)N[C@@H]1CCc2ncnn2C1 ZINC000120359327 221557047 /nfs/dbraw/zinc/55/70/47/221557047.db2.gz VVDYQQCXKNMGSX-JBEBIEQOSA-N 0 0 347.444 0.841 10 0 ECAERN Cc1cc(S(C)(=O)=O)cc(C(=O)NC[C@H]2CN(C)CCO2)c1C ZINC000121747730 221921817 /nfs/dbraw/zinc/92/18/17/221921817.db2.gz ASFZNPMIENTPDY-ZDUSSCGKSA-N 0 0 340.445 0.767 10 0 ECAERN CN(C)S(=O)(=O)c1cc(C(=O)N2CCN3CCCC[C@@H]3C2)co1 ZINC000123777988 222331224 /nfs/dbraw/zinc/33/12/24/222331224.db2.gz SYQLRUKDBPKRCK-CYBMUJFWSA-N 0 0 341.433 0.840 10 0 ECAERN O=C1CNC(=O)N1CCCN1CCN(c2nc3ccccc3o2)CC1 ZINC000171559784 227140763 /nfs/dbraw/zinc/14/07/63/227140763.db2.gz PEKQMPKDEOVUTB-UHFFFAOYSA-N 0 0 343.387 0.892 10 0 ECAERN Cc1ccc(N2CCCN(CC(=O)Nc3nncs3)CC2)nn1 ZINC000171550268 227137311 /nfs/dbraw/zinc/13/73/11/227137311.db2.gz SVELCLMWGUNXAV-UHFFFAOYSA-N 0 0 333.421 0.787 10 0 ECAERN Cc1cnn(C[C@H]2CN(C(=O)c3ccc4[nH]c(=O)[nH]c4c3)CCO2)c1 ZINC000171828072 227303636 /nfs/dbraw/zinc/30/36/36/227303636.db2.gz QRNYITCERVWSKT-CYBMUJFWSA-N 0 0 341.371 0.902 10 0 ECAERN CC[C@@H]1CN(S(=O)(=O)CC[C@H]2CCCO2)CCN1C[C@@H](C)O ZINC000246218143 545938711 /nfs/dbraw/zinc/93/87/11/545938711.db2.gz UHEACNBSAGLNQI-RBSFLKMASA-N 0 0 334.482 0.662 10 0 ECAERN O=C(CNC(=O)[C@H]1CNC(=O)C1)N1CCC(Cc2ccccc2)CC1 ZINC000174600755 263150592 /nfs/dbraw/zinc/15/05/92/263150592.db2.gz MAIGUQZCPAMBQN-MRXNPFEDSA-N 0 0 343.427 0.720 10 0 ECAERN CC(=O)N[C@@H](CC(=O)N1CC(NC(C)=O)C1)c1c(F)cccc1F ZINC000191485996 263165124 /nfs/dbraw/zinc/16/51/24/263165124.db2.gz DBKWBFDMNWWMAZ-AWEZNQCLSA-N 0 0 339.342 0.879 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)[C@H]2CCCN(C(C)=O)C2)C1 ZINC000262695308 263177382 /nfs/dbraw/zinc/17/73/82/263177382.db2.gz GBOQYZYPRRQQLB-HSBZDZAISA-N 0 0 325.409 0.299 10 0 ECAERN CO[C@H]1C[C@@H](C(N)=O)N(Cc2ccc(Cl)cc2-n2cncn2)C1 ZINC000284486413 264218524 /nfs/dbraw/zinc/21/85/24/264218524.db2.gz FYPLCEPRLIJPLY-JSGCOSHPSA-N 0 0 335.795 0.995 10 0 ECAERN O[C@@]1(Cn2ccnn2)CCCN(Cc2cnn(-c3ccccc3)n2)C1 ZINC000284495737 264219957 /nfs/dbraw/zinc/21/99/57/264219957.db2.gz HUGMSKPIVPNNRU-KRWDZBQOSA-N 0 0 339.403 0.886 10 0 ECAERN Cn1cc(C(=O)N2CC[C@@](O)(c3cn[nH]n3)C2)c(-c2ccccc2)n1 ZINC000284570908 264229064 /nfs/dbraw/zinc/22/90/64/264229064.db2.gz JCYCVZPROHSMDR-KRWDZBQOSA-N 0 0 338.371 0.939 10 0 ECAERN COC[C@@H]1C[C@H](OC)CN1CCNS(=O)(=O)c1ccccc1 ZINC000284632364 264236100 /nfs/dbraw/zinc/23/61/00/264236100.db2.gz LUYNKVHRPHYCEX-KBPBESRZSA-N 0 0 328.434 0.701 10 0 ECAERN O=C(Cn1ccc(C(F)(F)F)n1)N1CC[C@@](O)(c2cn[nH]n2)C1 ZINC000284875338 264249218 /nfs/dbraw/zinc/24/92/18/264249218.db2.gz RYNXNPBGBIHXEO-NSHDSACASA-N 0 0 330.270 0.140 10 0 ECAERN C[C@@H](O)CN1CCN(C(=O)Nc2cccnc2-n2cncn2)C[C@@H]1C ZINC000181817080 274268751 /nfs/dbraw/zinc/26/87/51/274268751.db2.gz WDISQEOYFYRIIA-QWHCGFSZSA-N 0 0 345.407 0.581 10 0 ECAERN CN1C(=O)c2ccc(C(=O)N[C@H]3CCc4ncnn4C3)cc2C1=O ZINC000112647270 277021589 /nfs/dbraw/zinc/02/15/89/277021589.db2.gz UFUOKWVKILBPQN-JTQLQIEISA-N 0 0 325.328 0.249 10 0 ECAERN CC(=O)NC1CN(C(=O)[C@H]2CC(=O)N(C)[C@@H]2c2ccc(F)cc2)C1 ZINC000190524251 277026277 /nfs/dbraw/zinc/02/62/77/277026277.db2.gz GDENWQSBRHCKRA-GOEBONIOSA-N 0 0 333.363 0.692 10 0 ECAERN CCC1(CC)[C@H](NC(=O)[C@H]2C[C@@H](O)CN2C(C)=O)[C@H](C)[C@@H]1OC ZINC000189377875 437597180 /nfs/dbraw/zinc/59/71/80/437597180.db2.gz BMNYNEWNCQVVCH-NBRWMIFNSA-N 0 0 326.437 0.924 10 0 ECAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)N1CCC3(C1)OCCO3)CC2 ZINC000175135229 278077792 /nfs/dbraw/zinc/07/77/92/278077792.db2.gz ITZPOVQDDKZJJG-GFCCVEGCSA-N 0 0 335.408 0.875 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)c2nc3nc(C)cc(C)n3n2)C1 ZINC000262698601 279059392 /nfs/dbraw/zinc/05/93/92/279059392.db2.gz FSVLWPWDRZANSY-UHFFFAOYSA-N 0 0 346.391 0.408 10 0 ECAERN CC(C)C[C@H]1C(=O)N2CCC[C@@H]2[C@]2(O)O[C@](N)(C(C)C)C(=O)N12 ZINC000077271276 279198386 /nfs/dbraw/zinc/19/83/86/279198386.db2.gz DWRMEERDPRBHJG-OJDYBEQGSA-N 0 0 325.409 0.222 10 0 in-vitro ECAERN NC(=O)[C@H]1COCCN1C(=O)c1cc(Br)ccc1O ZINC000180274503 295158329 /nfs/dbraw/zinc/15/83/29/295158329.db2.gz ILYFDWMBHLKRJC-SECBINFHSA-N 0 0 329.150 0.481 10 0 ECAERN COc1cccc(CC(=O)N2CCO[C@H](C[N@H+](C)CC(=O)[O-])C2)c1 ZINC000263019047 295292545 /nfs/dbraw/zinc/29/25/45/295292545.db2.gz ZUPAQKDNQQGJPZ-OAHLLOKOSA-N 0 0 336.388 0.482 10 0 ECAERN C[C@H]1COCCN1C(=O)[C@@H]1CC[C@@H](C(=O)N2CCOC[C@@H]2C)O1 ZINC000333069359 297105956 /nfs/dbraw/zinc/10/59/56/297105956.db2.gz JSQADTZPOWSIKA-XUXIUFHCSA-N 0 0 326.393 0.029 10 0 ECAERN O=C([C@@H]1CC(=O)Nc2ccccc21)N1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000333340642 297126660 /nfs/dbraw/zinc/12/66/60/297126660.db2.gz SRQUIYLQAGYUDR-DIFFPNOSSA-N 0 0 342.355 0.313 10 0 ECAERN CO[C@H]1C[C@@H](CO)N(S(=O)(=O)c2cnn(-c3ccccc3)c2)C1 ZINC000343145096 297833439 /nfs/dbraw/zinc/83/34/39/297833439.db2.gz ZGLCUEVCDKALMY-KBPBESRZSA-N 0 0 337.401 0.643 10 0 ECAERN CC[C@@H]1CN(C(=O)[C@H]2CCCN(C(C)=O)C2)C[C@H]1N1CCOCC1 ZINC000364090645 300325513 /nfs/dbraw/zinc/32/55/13/300325513.db2.gz DMPWQHVSKSJYNN-IXDOHACOSA-N 0 0 337.464 0.814 10 0 ECAERN CCN1C(=O)CC[C@H](C(=O)N2C[C@@H](O)C(C)(C)C2)[C@@H]1c1cnn(C)c1 ZINC000365754825 300480511 /nfs/dbraw/zinc/48/05/11/300480511.db2.gz VDBQZMVMVKEPSN-LZWOXQAQSA-N 0 0 348.447 0.949 10 0 ECAERN C[C@@H](NS(=O)(=O)c1c[nH]cn1)c1ccc(S(C)(=O)=O)cc1 ZINC000070416141 435984908 /nfs/dbraw/zinc/98/49/08/435984908.db2.gz SUDCGOVRNCQJAH-SECBINFHSA-N 0 0 329.403 0.853 10 0 ECAERN CC(=O)N[C@H]1CO[C@H]2[C@@H]1OC[C@@H]2Nc1nccc(-c2ccco2)n1 ZINC000005433917 435988984 /nfs/dbraw/zinc/98/89/84/435988984.db2.gz NSIVSHRRKXXDBP-DDHJSBNISA-N 0 0 330.344 0.819 10 0 ECAERN CCCn1c(=O)c2c(ncn2CCCC[C@@H](O)CO)n(CC)c1=O ZINC000013887173 436064293 /nfs/dbraw/zinc/06/42/93/436064293.db2.gz FECYSWSLNGZYBT-GFCCVEGCSA-N 0 0 338.408 0.313 10 0 ECAERN COc1ccc(S(=O)(=O)NC[C@@H]2CN(C)CCO2)cc1OC ZINC000074773614 436139018 /nfs/dbraw/zinc/13/90/18/436139018.db2.gz RSDBTMPSKJSXKE-LLVKDONJSA-N 0 0 330.406 0.313 10 0 ECAERN Cn1c2ccc(S(=O)(=O)N3CCn4ccnc4C3)cc2oc1=O ZINC000074785367 436139332 /nfs/dbraw/zinc/13/93/32/436139332.db2.gz GFZPHVZDCCSDHP-UHFFFAOYSA-N 0 0 334.357 0.533 10 0 ECAERN CC(C)NC(=O)C(=O)N1CCN(C[C@](C)(O)c2ccccc2)CC1 ZINC000075826537 436176450 /nfs/dbraw/zinc/17/64/50/436176450.db2.gz UZQLJPQLGQFICX-SFHVURJKSA-N 0 0 333.432 0.563 10 0 ECAERN CCc1noc([C@]2(O)CCN(Cc3ccnn3CCCOC)C2)n1 ZINC000377827633 301379448 /nfs/dbraw/zinc/37/94/48/301379448.db2.gz YMFODKJZKLZISW-INIZCTEOSA-N 0 0 335.408 0.959 10 0 ECAERN CC(C)Cn1c(N)c(C(=O)CN2[C@H](C)COC[C@H]2C)c(=O)[nH]c1=O ZINC000077370836 436234116 /nfs/dbraw/zinc/23/41/16/436234116.db2.gz HZXFVKDSAZAVJS-GHMZBOCLSA-N 0 0 338.408 0.067 10 0 ECAERN C[C@H](CNC(=O)CCNC(=O)c1cccs1)N1CCOCC1 ZINC000029959004 436213089 /nfs/dbraw/zinc/21/30/89/436213089.db2.gz LZXNRFZRJVZJKR-GFCCVEGCSA-N 0 0 325.434 0.705 10 0 ECAERN CNS(=O)(=O)c1cc(C(=O)N2[C@H](C)COC[C@@H]2C)ccc1F ZINC000084190046 436378900 /nfs/dbraw/zinc/37/89/00/436378900.db2.gz KPTSNXQBBHJDAX-AOOOYVTPSA-N 0 0 330.381 0.983 10 0 ECAERN O=C1NC(=O)[C@@]2(CCN(S(=O)(=O)c3ccccc3Cl)C2)N1 ZINC000084796529 436386498 /nfs/dbraw/zinc/38/64/98/436386498.db2.gz DTTJFQBUEJBVQT-LBPRGKRZSA-N 0 0 329.765 0.313 10 0 ECAERN C[C@H](CNC(=O)NCCNC(=O)c1cccs1)N1CCOCC1 ZINC000046261004 436390068 /nfs/dbraw/zinc/39/00/68/436390068.db2.gz PWTITMIZHLPTHL-GFCCVEGCSA-N 0 0 340.449 0.498 10 0 ECAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)CSc1nnnn1C1CC1 ZINC000088196682 436398550 /nfs/dbraw/zinc/39/85/50/436398550.db2.gz LYDJFMGMRTWXQV-JTQLQIEISA-N 0 0 348.436 0.905 10 0 ECAERN CCc1nnc(CS(=O)(=O)CC(=O)N2CCc3ccccc32)n1C ZINC000091049662 436439707 /nfs/dbraw/zinc/43/97/07/436439707.db2.gz XAJPUSLKXTYOJU-UHFFFAOYSA-N 0 0 348.428 0.882 10 0 ECAERN CCC[C@H](C)NC(=O)[C@@H](C)S(=O)(=O)Cc1nnc(CC)n1C ZINC000091049506 436439920 /nfs/dbraw/zinc/43/99/20/436439920.db2.gz LVODXZVZEAMUHH-WDEREUQCSA-N 0 0 330.454 0.986 10 0 ECAERN NC(=O)[C@H]1COCCN1C(=O)Cc1cccc(OC(F)(F)F)c1 ZINC000091783595 436461041 /nfs/dbraw/zinc/46/10/41/436461041.db2.gz BWMILRHGBXSXBD-LLVKDONJSA-N 0 0 332.278 0.840 10 0 ECAERN Cc1oc(-c2ccccc2)nc1CC(=O)N1CCOC[C@H]1C(N)=O ZINC000091782321 436461213 /nfs/dbraw/zinc/46/12/13/436461213.db2.gz SUDRXFRTEHDZSD-AWEZNQCLSA-N 0 0 329.356 0.905 10 0 ECAERN CNC(=O)[C@@H](c1ccccc1F)N1CCC[C@H]1C(=O)NCCOC ZINC000096113037 436513107 /nfs/dbraw/zinc/51/31/07/436513107.db2.gz JGQMCFKKMOKBMQ-LSDHHAIUSA-N 0 0 337.395 0.840 10 0 ECAERN C[C@@H](Sc1nncn1C)C(=O)N1CCCN(c2cccnn2)CC1 ZINC000105811145 436579257 /nfs/dbraw/zinc/57/92/57/436579257.db2.gz XNSIPXACUHPILL-GFCCVEGCSA-N 0 0 347.448 0.825 10 0 ECAERN CN1CCO[C@@H](CNC(=O)N2CCC[C@H](C(=O)NCC3CC3)C2)C1 ZINC000104797085 436562654 /nfs/dbraw/zinc/56/26/54/436562654.db2.gz WMNAHJJSTQLCGX-GJZGRUSLSA-N 0 0 338.452 0.265 10 0 ECAERN C[C@@H](NC(=O)NC[C@H]1CN(C)CCO1)c1ccc2c(c1)CC(=O)N2 ZINC000104790851 436563977 /nfs/dbraw/zinc/56/39/77/436563977.db2.gz GRHJGZDDIVMUJW-RISCZKNCSA-N 0 0 332.404 0.872 10 0 ECAERN O=S(=O)(c1ccc(N[C@H]2CCc3ncnn3C2)nc1)N1CCCC1 ZINC000108948125 436621789 /nfs/dbraw/zinc/62/17/89/436621789.db2.gz QLYALHFIJFOYIQ-LBPRGKRZSA-N 0 0 348.432 0.885 10 0 ECAERN CCNC(=O)NC(=O)[C@@H](C)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000105869006 436583573 /nfs/dbraw/zinc/58/35/73/436583573.db2.gz BQLFRBNIACCVFG-CYBMUJFWSA-N 0 0 336.440 0.162 10 0 ECAERN O=C(CN1CCO[C@H](Cn2cccn2)C1)NC(=O)Nc1ccccc1 ZINC000105889441 436584213 /nfs/dbraw/zinc/58/42/13/436584213.db2.gz AQMCGUBGNNLPLC-HNNXBMFYSA-N 0 0 343.387 0.932 10 0 ECAERN CC(C)NC(=O)CN1CCN(C[C@@H](O)COCc2ccccc2)CC1 ZINC000057945478 436618212 /nfs/dbraw/zinc/61/82/12/436618212.db2.gz ZKHDDQRZPTYFEE-GOSISDBHSA-N 0 0 349.475 0.706 10 0 ECAERN COc1ccc(S(=O)(=O)N[C@@H]2CCc3ncnn3C2)cc1F ZINC000113298998 436637232 /nfs/dbraw/zinc/63/72/32/436637232.db2.gz GXEUUTUMVILWHE-SECBINFHSA-N 0 0 326.353 0.719 10 0 ECAERN O=S(=O)(N[C@H]1CCc2ncnn2C1)c1cnn(-c2ccccc2)c1 ZINC000113298361 436637419 /nfs/dbraw/zinc/63/74/19/436637419.db2.gz RJRGOQCZGFLJKW-LBPRGKRZSA-N 0 0 344.400 0.757 10 0 ECAERN CN1CCO[C@@H](CNC(=O)c2cc(I)c[nH]2)C1 ZINC000115351303 436646293 /nfs/dbraw/zinc/64/62/93/436646293.db2.gz JTPUHUBWUFRXPC-VIFPVBQESA-N 0 0 349.172 0.680 10 0 ECAERN O=C(NC1CC1)c1ccc(N2C(=O)C=C(N3CCOCC3)C2=O)cc1 ZINC000064567221 436650148 /nfs/dbraw/zinc/65/01/48/436650148.db2.gz QKVOFPPUXPFQRG-UHFFFAOYSA-N 0 0 341.367 0.668 10 0 ECAERN CC[C@H](C)[C@H](NC(=O)CN1CC[C@H](c2cnn(C)c2)C1)C(=O)OC ZINC000116321481 436649967 /nfs/dbraw/zinc/64/99/67/436649967.db2.gz QQDAQLRRDNKABK-XEZPLFJOSA-N 0 0 336.436 0.913 10 0 ECAERN Cn1cc([C@H]2CCN(CC(=O)NC(=O)NCc3ccco3)C2)cn1 ZINC000116318688 436649999 /nfs/dbraw/zinc/64/99/99/436649999.db2.gz XQWWIVRLNFXBKS-LBPRGKRZSA-N 0 0 331.376 0.828 10 0 ECAERN Cc1nc(-c2ccc(NC(=O)C(=O)N3CCC[C@H]3CO)cc2)n[nH]1 ZINC000121029367 436704492 /nfs/dbraw/zinc/70/44/92/436704492.db2.gz UUZGNUKWBKIFGK-ZDUSSCGKSA-N 0 0 329.360 0.702 10 0 ECAERN CCCN1C(=O)N[C@@H](CC(=O)N(C)Cc2cn(CC)nc2C)C1=O ZINC000223438089 436707111 /nfs/dbraw/zinc/70/71/11/436707111.db2.gz COKJMIISPFNZFC-ZDUSSCGKSA-N 0 0 335.408 0.890 10 0 ECAERN CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N[C@H]2CCc3ncnn3C2)C1 ZINC000151891875 436715331 /nfs/dbraw/zinc/71/53/31/436715331.db2.gz WYLWMNMABTYMAH-NEPJUHHUSA-N 0 0 335.408 0.966 10 0 ECAERN O=Cc1ccc(C(=O)NC[C@H](O)CN2CCc3ccccc3C2)[nH]1 ZINC000119792825 436670792 /nfs/dbraw/zinc/67/07/92/436670792.db2.gz CZPLMTZJXASFPN-INIZCTEOSA-N 0 0 327.384 0.976 10 0 ECAERN Cc1ccn(CC(=O)N[C@H]2CCCN(c3cccnn3)C2)c(=O)c1 ZINC000194721126 436671544 /nfs/dbraw/zinc/67/15/44/436671544.db2.gz OAQKRKVMXWLVFU-AWEZNQCLSA-N 0 0 327.388 0.732 10 0 ECAERN CC[C@@H](C)NC(=O)CN1CCN(Cc2nnc(C3CC3)n2C)CC1 ZINC000195058851 436677229 /nfs/dbraw/zinc/67/72/29/436677229.db2.gz DWVWHGRAAKRTJZ-CYBMUJFWSA-N 0 0 334.468 0.725 10 0 ECAERN Cc1cc(N2CCN(C(=O)c3ccccc3N)CC2)n2ncnc2n1 ZINC000120185247 436682095 /nfs/dbraw/zinc/68/20/95/436682095.db2.gz ZZWTVEIVUFHRJM-UHFFFAOYSA-N 0 0 337.387 0.977 10 0 ECAERN O=C(CCCNC(=O)c1cccnc1)N1CC[C@H](N2CCOCC2)C1 ZINC000124838356 436759114 /nfs/dbraw/zinc/75/91/14/436759114.db2.gz FXSASEVPRWEOAQ-INIZCTEOSA-N 0 0 346.431 0.525 10 0 ECAERN CC[C@H]1CN(C(=O)C(=O)Nc2ccc(F)cn2)CCN1C[C@H](C)O ZINC000248730341 436809532 /nfs/dbraw/zinc/80/95/32/436809532.db2.gz KJKRIJKCBFEAOB-AAEUAGOBSA-N 0 0 338.383 0.463 10 0 ECAERN CC(C)Oc1cccc(CC(=O)NC[C@H](O)CN2CCOCC2)c1 ZINC000128132645 436813126 /nfs/dbraw/zinc/81/31/26/436813126.db2.gz NTVGHJHZAOJPAN-INIZCTEOSA-N 0 0 336.432 0.826 10 0 ECAERN CCC[C@H](NCc1cn(C)c(=O)n(C)c1=O)C(=O)OC(C)(C)C ZINC000156568618 436817371 /nfs/dbraw/zinc/81/73/71/436817371.db2.gz ULAGTTOUDMBHSZ-LBPRGKRZSA-N 0 0 325.409 0.684 10 0 ECAERN C[C@@H](Oc1cccc(F)c1)C(=O)NC[C@@H](O)CN1CCOCC1 ZINC000128981358 436822607 /nfs/dbraw/zinc/82/26/07/436822607.db2.gz PXOWEKHHMLMLLZ-TZMCWYRMSA-N 0 0 326.368 0.402 10 0 ECAERN CCOc1ccccc1CCC(=O)NC[C@H](O)CN1CCOCC1 ZINC000154156250 436772155 /nfs/dbraw/zinc/77/21/55/436772155.db2.gz UBXILDYLQPVRAN-INIZCTEOSA-N 0 0 336.432 0.827 10 0 ECAERN CC(C)CC(=O)N[C@@H](C(=O)NC[C@@H]1CCCS1(=O)=O)C(C)C ZINC000154394904 436776930 /nfs/dbraw/zinc/77/69/30/436776930.db2.gz KDQNMIKKZMEMEX-GXTWGEPZSA-N 0 0 332.466 0.867 10 0 ECAERN CC[C@H]1CN(C(=O)C(=O)Nc2cnccc2C)CCN1C[C@H](C)O ZINC000246812709 436785601 /nfs/dbraw/zinc/78/56/01/436785601.db2.gz ADYNAWAZJQCXJL-KBPBESRZSA-N 0 0 334.420 0.632 10 0 ECAERN C[C@H](O)CN1CCN(C(=O)C(=O)Nc2ccccc2N(C)C)C[C@@H]1C ZINC000246925389 436787707 /nfs/dbraw/zinc/78/77/07/436787707.db2.gz GVKBTQKIWDZQGB-KBPBESRZSA-N 0 0 348.447 0.605 10 0 ECAERN Cc1ccc(NC(=O)C(=O)N2CCN(C[C@H](C)O)[C@H](C)C2)cc1F ZINC000246883739 436787714 /nfs/dbraw/zinc/78/77/14/436787714.db2.gz DRTLIXCKMVFJRI-OLZOCXBDSA-N 0 0 337.395 0.986 10 0 ECAERN O=C1C[C@H](N2CC[C@@H](N3CCOCC3)C2)C(=O)N1c1ccc(F)cc1 ZINC000247254746 436792071 /nfs/dbraw/zinc/79/20/71/436792071.db2.gz ZGGFRKWWLKRDMG-CVEARBPZSA-N 0 0 347.390 0.864 10 0 ECAERN COC(=O)[C@@H]1[C@H](c2ccccc2)C[C@](C)(O)C[C@]12NNC(=S)N2 ZINC000248050259 436798881 /nfs/dbraw/zinc/79/88/81/436798881.db2.gz WZKAYSDIQCXBKS-APYUEPQZSA-N 0 0 335.429 0.783 10 0 ECAERN CNC(=O)[C@@H]1CN(C(=O)Cc2ccc(OC)c(Cl)c2)C[C@H]1CO ZINC000253403518 436842559 /nfs/dbraw/zinc/84/25/59/436842559.db2.gz HFORVSWOULRAGU-NWDGAFQWSA-N 0 0 340.807 0.704 10 0 ECAERN CCN(CC)S(=O)(=O)CC(=O)N[C@H](C)c1nnc2n1CCCC2 ZINC000131598304 436855958 /nfs/dbraw/zinc/85/59/58/436855958.db2.gz UNVFRMAGGOCYFA-LLVKDONJSA-N 0 0 343.453 0.463 10 0 ECAERN COC[C@@H]1CN(c2ccncn2)C[C@H]1C(=O)NCc1cc(C)nn1C ZINC000257196374 436860344 /nfs/dbraw/zinc/86/03/44/436860344.db2.gz YCPHVBRNNUWXAB-DZGCQCFKSA-N 0 0 344.419 0.534 10 0 ECAERN CC(C)(C)c1nnc2ccc(NC[C@H](O)CN3CCOCC3)nn21 ZINC000274700898 436861636 /nfs/dbraw/zinc/86/16/36/436861636.db2.gz UPWBDPFBWSUGSK-LBPRGKRZSA-N 0 0 334.424 0.527 10 0 ECAERN NC(=O)[C@@H]1CCCN1Cc1cccc(NC(=O)[C@H]2CNC(=O)C2)c1 ZINC000249838956 436827439 /nfs/dbraw/zinc/82/74/39/436827439.db2.gz UOVYSHQINQAMIP-OCCSQVGLSA-N 0 0 330.388 0.211 10 0 ECAERN CN1CCO[C@@H](CNC(=O)c2cc(N3CCNC3=O)ccc2F)C1 ZINC000157670351 436831925 /nfs/dbraw/zinc/83/19/25/436831925.db2.gz ZLBWMXHTWOAOBD-LBPRGKRZSA-N 0 0 336.367 0.416 10 0 ECAERN O=C([C@H]1CC(F)(F)CN1)N1CCS(=O)(=O)C2(CCCCC2)C1 ZINC000263307512 436962789 /nfs/dbraw/zinc/96/27/89/436962789.db2.gz YCWWYYJWZGHMRW-LLVKDONJSA-N 0 0 336.404 0.944 10 0 ECAERN CC(C)n1nnnc1CN1CCN(c2ncccc2C(N)=O)CC1 ZINC000171035572 436965450 /nfs/dbraw/zinc/96/54/50/436965450.db2.gz UEYMLWPCGYGYLT-UHFFFAOYSA-N 0 0 330.396 0.070 10 0 ECAERN CC(=O)[C@@H]1CC(C(=O)NC[C@@H]2CN(C)CCO2)=NN1c1ccccc1 ZINC000171286675 436975431 /nfs/dbraw/zinc/97/54/31/436975431.db2.gz CLWZHEQMSWSEQZ-WBVHZDCISA-N 0 0 344.415 0.657 10 0 ECAERN Cn1cc(Cl)cc1C(=O)N1CCO[C@@H](C[N@H+](C)CC(=O)[O-])C1 ZINC000262947492 436946522 /nfs/dbraw/zinc/94/65/22/436946522.db2.gz OGCNBGODTWVTIT-NSHDSACASA-N 0 0 329.784 0.536 10 0 ECAERN CC1(C)COCCN1CCNc1cc(N2CCC[C@@H]2CO)ncn1 ZINC000171543953 436981761 /nfs/dbraw/zinc/98/17/61/436981761.db2.gz TXWUQOJUGOPIKP-CQSZACIVSA-N 0 0 335.452 0.960 10 0 ECAERN C[C@@H](CC(=O)NC[C@@H]1CN(C)CCO1)NC(=O)C1CCCCC1 ZINC000170758446 436953507 /nfs/dbraw/zinc/95/35/07/436953507.db2.gz ZSQZVDSIWNURLG-DZGCQCFKSA-N 0 0 325.453 0.908 10 0 ECAERN C[N@@H+](CC(=O)[O-])C[C@@H]1CN(C(=O)N[C@H]2CCCC2(C)C)CCO1 ZINC000263239448 436958107 /nfs/dbraw/zinc/95/81/07/436958107.db2.gz NNOFFXZLCONXBW-OLZOCXBDSA-N 0 0 327.425 0.992 10 0 ECAERN O=C(COc1ccccc1)NCC(=O)N1CCC[C@H](n2cncn2)C1 ZINC000170896339 436959313 /nfs/dbraw/zinc/95/93/13/436959313.db2.gz IKAARRSUAJVNHM-AWEZNQCLSA-N 0 0 343.387 0.637 10 0 ECAERN C[C@@H](NC(=O)NC[C@@H]1CN(C)CCO1)c1ccc(-n2cncn2)cc1 ZINC000170920188 436960594 /nfs/dbraw/zinc/96/05/94/436960594.db2.gz OFDRJVVOVFWDGB-CZUORRHYSA-N 0 0 344.419 0.958 10 0 ECAERN C[C@H](NC(=O)NCCn1cccn1)c1ccc(S(N)(=O)=O)cc1 ZINC000172299919 437007937 /nfs/dbraw/zinc/00/79/37/437007937.db2.gz HCHONUUIFXNKII-NSHDSACASA-N 0 0 337.405 0.591 10 0 ECAERN CC[C@H](COC)NC(=O)N[C@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000173257543 437042828 /nfs/dbraw/zinc/04/28/28/437042828.db2.gz SQHSTRVROGUUNO-OLZOCXBDSA-N 0 0 337.424 0.948 10 0 ECAERN CCC[C@@H](O)CNC(=O)NC[C@@H]1CCCN1c1cc(NC)ncn1 ZINC000173425562 437050194 /nfs/dbraw/zinc/05/01/94/437050194.db2.gz YEKWIIQYBFRPSS-QWHCGFSZSA-N 0 0 336.440 0.947 10 0 ECAERN Cc1nnc([C@@H]2CN(C(=O)CCCNC(=O)C(C)(C)C)CCO2)[nH]1 ZINC000173521989 437054065 /nfs/dbraw/zinc/05/40/65/437054065.db2.gz YKSDFWNFWLRVJB-LBPRGKRZSA-N 0 0 337.424 0.956 10 0 ECAERN Cc1nnc([C@H]2CN(C(=O)CCc3c(C)nn(C)c3C)CCO2)[nH]1 ZINC000173542554 437056545 /nfs/dbraw/zinc/05/65/45/437056545.db2.gz GALXUNUYHAATED-CQSZACIVSA-N 0 0 332.408 0.996 10 0 ECAERN COCCCN(C)C(=O)N[C@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000173568847 437056911 /nfs/dbraw/zinc/05/69/11/437056911.db2.gz GDIPKWPWVRYPAU-ZDUSSCGKSA-N 0 0 337.424 0.902 10 0 ECAERN Cc1nnc([C@@H]2CN(C(=O)C(=O)NCc3ccc(F)cc3)CCO2)[nH]1 ZINC000173601661 437058351 /nfs/dbraw/zinc/05/83/51/437058351.db2.gz CSXOVHIJOXKCJK-ZDUSSCGKSA-N 0 0 347.350 0.469 10 0 ECAERN CCc1nnc([C@@H]2CN(C(=O)c3cccc(C(N)=O)c3)CCO2)[nH]1 ZINC000173611403 437058951 /nfs/dbraw/zinc/05/89/51/437058951.db2.gz IBWAHMPWRRAQTI-LBPRGKRZSA-N 0 0 329.360 0.680 10 0 ECAERN Cc1nnc([C@H]2CN(Cc3nc4ccccc4c(=O)n3C)CCO2)[nH]1 ZINC000173664570 437059605 /nfs/dbraw/zinc/05/96/05/437059605.db2.gz WSCLCPVXVMEAHV-CQSZACIVSA-N 0 0 340.387 0.934 10 0 ECAERN Cc1nnc([C@@H]2CN(CC(=O)NCCOCCC(C)C)CCO2)[nH]1 ZINC000173675645 437060769 /nfs/dbraw/zinc/06/07/69/437060769.db2.gz RHUBPHRXHZABPS-AWEZNQCLSA-N 0 0 339.440 0.665 10 0 ECAERN CC(C)(C)[S@@](=O)CCNC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000173890844 437067496 /nfs/dbraw/zinc/06/74/96/437067496.db2.gz ZMICHLPUNPNGLV-DMZKTXOQSA-N 0 0 331.482 0.650 10 0 ECAERN Cc1cc(C(=O)N2CCN(C[C@@H](C)O)[C@@H](C)C2)c2c(=O)[nH]n(C)c2n1 ZINC000174336634 437079593 /nfs/dbraw/zinc/07/95/93/437079593.db2.gz WDEPEXYGDDPKFD-NWDGAFQWSA-N 0 0 347.419 0.097 10 0 ECAERN CCN(CC)S(=O)(=O)CC(=O)N1CCC[C@H](Cn2cncn2)C1 ZINC000175070672 437093941 /nfs/dbraw/zinc/09/39/41/437093941.db2.gz MUVZBVKFYJMVMV-ZDUSSCGKSA-N 0 0 343.453 0.188 10 0 ECAERN Cc1ccc(I)cc1NC(=O)[C@@H](N)CC(N)=O ZINC000305959289 437164924 /nfs/dbraw/zinc/16/49/24/437164924.db2.gz ISSZNLIVKZLNKV-QMMMGPOBSA-N 0 0 347.156 0.741 10 0 ECAERN CN(C)c1ncccc1O[C@@H]1CCN(C(=O)N[C@H]2CCN(C)C2=O)C1 ZINC000276714636 437151239 /nfs/dbraw/zinc/15/12/39/437151239.db2.gz PVWIBHDSFTZGTE-OLZOCXBDSA-N 0 0 347.419 0.541 10 0 ECAERN CS(=O)(=O)NCc1ccc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)o1 ZINC000176622186 437151475 /nfs/dbraw/zinc/15/14/75/437151475.db2.gz KWOAOSYEGHRNOT-LLVKDONJSA-N 0 0 327.406 0.249 10 0 ECAERN Cc1cnn(C[C@H]2CN(C(=O)[C@@H](C)CS(C)(=O)=O)CCO2)c1 ZINC000176818800 437160134 /nfs/dbraw/zinc/16/01/34/437160134.db2.gz GAUZZEZTFATSPG-QWHCGFSZSA-N 0 0 329.422 0.100 10 0 ECAERN Cc1cc(N2CCC[C@@H](NC(=O)NCc3cnn(C)c3)C2=O)n(C)n1 ZINC000175825096 437120712 /nfs/dbraw/zinc/12/07/12/437120712.db2.gz SMQQTBRMIRHVLG-CYBMUJFWSA-N 0 0 345.407 0.457 10 0 ECAERN NC(=O)c1cncc(N2C[C@H]3OCCN(Cc4ccccc4)[C@@H]3C2)n1 ZINC000301617291 437128110 /nfs/dbraw/zinc/12/81/10/437128110.db2.gz CJMIEERYBJHSMT-HZPDHXFCSA-N 0 0 339.399 0.665 10 0 ECAERN CCc1nnc([C@@H]2CN(c3cc(CC)nc4ncnn43)CCO2)[nH]1 ZINC000301712771 437131622 /nfs/dbraw/zinc/13/16/22/437131622.db2.gz LLKAHRUZXCGXJN-NSHDSACASA-N 0 0 328.380 0.945 10 0 ECAERN NC(=O)c1cc(Cl)nnc1N[C@@H]1CCN(C(=O)c2ccccn2)C1 ZINC000301836603 437134676 /nfs/dbraw/zinc/13/46/76/437134676.db2.gz MCEYCAPEVMVMHB-SECBINFHSA-N 0 0 346.778 0.951 10 0 ECAERN CC(C)N1C(=O)C[C@@H](NC(=O)[C@@H](Cc2ccccc2)N(C)C)C1=O ZINC000176242489 437137568 /nfs/dbraw/zinc/13/75/68/437137568.db2.gz VVTHOLJYNSCRNT-HUUCEWRRSA-N 0 0 331.416 0.811 10 0 ECAERN CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Cc1c(C)nc2nc(N)nn2c1C ZINC000177424449 437183426 /nfs/dbraw/zinc/18/34/26/437183426.db2.gz ZUEQUXOYJULEIP-CYBMUJFWSA-N 0 0 345.451 0.809 10 0 ECAERN CC[C@H]1CN(C(=O)C(=O)Nc2cnccc2C)CCN1C[C@@H](C)O ZINC000177615598 437191628 /nfs/dbraw/zinc/19/16/28/437191628.db2.gz ADYNAWAZJQCXJL-KGLIPLIRSA-N 0 0 334.420 0.632 10 0 ECAERN CC[C@@H]1CN(C(=O)C(=O)Nc2cnccc2C)CCN1C[C@@H](C)O ZINC000177615582 437191806 /nfs/dbraw/zinc/19/18/06/437191806.db2.gz ADYNAWAZJQCXJL-ZIAGYGMSSA-N 0 0 334.420 0.632 10 0 ECAERN CNC(=O)[C@H](NC(=O)NC[C@H]1CCN(CC(F)(F)F)C1)C(C)C ZINC000178435844 437214039 /nfs/dbraw/zinc/21/40/39/437214039.db2.gz IKZJBMNYZLFVBC-GHMZBOCLSA-N 0 0 338.374 0.940 10 0 ECAERN CNC(=O)[C@H](NC(=O)NCCNC(=O)c1cccs1)C(C)C ZINC000178423337 437214368 /nfs/dbraw/zinc/21/43/68/437214368.db2.gz KEKZEBBUCPBQNU-LLVKDONJSA-N 0 0 326.422 0.548 10 0 ECAERN CNC(=O)[C@H](NC(=O)N1CCN(C(=O)C(C)(C)C)CC1)C(C)C ZINC000178407025 437214782 /nfs/dbraw/zinc/21/47/82/437214782.db2.gz MYGYBERRQZCJIP-GFCCVEGCSA-N 0 0 326.441 0.657 10 0 ECAERN CNC(=O)[C@H](NC(=O)N1CCN(Cc2cc(C)no2)CC1)C(C)C ZINC000178431935 437214964 /nfs/dbraw/zinc/21/49/64/437214964.db2.gz PWKHSGKJKLLRBP-CQSZACIVSA-N 0 0 337.424 0.581 10 0 ECAERN CC(C)[C@@H](O)CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000178860922 437235920 /nfs/dbraw/zinc/23/59/20/437235920.db2.gz KXDDISUVUAAVLP-HNNXBMFYSA-N 0 0 340.445 0.927 10 0 ECAERN CN(C)C(=O)CN1CCC[C@H](c2n[nH]cc2C(=O)N2CCOCC2)C1 ZINC000328603951 437240013 /nfs/dbraw/zinc/24/00/13/437240013.db2.gz HSWXORDOPKBLKP-ZDUSSCGKSA-N 0 0 349.435 0.150 10 0 ECAERN CCN1CCN(S(=O)(=O)CC[C@H]2CCCO2)C[C@@H]1c1ncc[nH]1 ZINC000328630455 437241396 /nfs/dbraw/zinc/24/13/96/437241396.db2.gz PWDIIBDJNGUVNZ-ZIAGYGMSSA-N 0 0 342.465 0.987 10 0 ECAERN O=C(CN1C[C@H](O)C[C@@H]1CO)NCCOc1ccc(Cl)cc1 ZINC000179183948 437255285 /nfs/dbraw/zinc/25/52/85/437255285.db2.gz RBCHHBKFKAFKRV-CHWSQXEVSA-N 0 0 328.796 0.263 10 0 ECAERN CN(Cc1nccc(N)n1)[C@@H]1CCN(C(=O)N[C@H]2CC[C@H](O)CC2)C1 ZINC000332998390 437257402 /nfs/dbraw/zinc/25/74/02/437257402.db2.gz AYBXDBZAZXVMGN-MCIONIFRSA-N 0 0 348.451 0.578 10 0 ECAERN CCc1nnc([C@H]2CN(C(=O)NCc3cnn(C)c3C)CCO2)[nH]1 ZINC000179344294 437259589 /nfs/dbraw/zinc/25/95/89/437259589.db2.gz QYXPUNNZYCXTPS-GFCCVEGCSA-N 0 0 333.396 0.692 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)Nc1cc(COC)ncn1)CC2 ZINC000181012600 437308185 /nfs/dbraw/zinc/30/81/85/437308185.db2.gz ZTDJJHXMCTYDDD-SNVBAGLBSA-N 0 0 331.380 0.913 10 0 ECAERN CC[C@@H](C(=O)NC[C@H](O)CN1CCOCC1)c1ccc(OC)cc1 ZINC000179757801 437273358 /nfs/dbraw/zinc/27/33/58/437273358.db2.gz HKEPRCOVCMLWGI-DOTOQJQBSA-N 0 0 336.432 0.998 10 0 ECAERN COCCn1cc(C(=O)N2CCOC[C@@H]2C(N)=O)c2ccccc21 ZINC000180196745 437280990 /nfs/dbraw/zinc/28/09/90/437280990.db2.gz ZEBJFMJZPYNWKD-OAHLLOKOSA-N 0 0 331.372 0.614 10 0 ECAERN CCc1cc(NC(=O)C(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)n(C)n1 ZINC000180256726 437285814 /nfs/dbraw/zinc/28/58/14/437285814.db2.gz AWSBXCUVDBNOJD-JSGCOSHPSA-N 0 0 349.435 0.100 10 0 ECAERN CCS(=O)(=O)NCCNC(=O)N1CCCC[C@H]1c1cn[nH]c1 ZINC000182354951 437345943 /nfs/dbraw/zinc/34/59/43/437345943.db2.gz FOYFQXKKBOGGIA-LBPRGKRZSA-N 0 0 329.426 0.586 10 0 ECAERN CC(C)c1nc2c(n1C)CCN(C(=O)C(=O)Nc1ccn(C)n1)C2 ZINC000182809985 437362356 /nfs/dbraw/zinc/36/23/56/437362356.db2.gz BDTZTUYYQNDGLK-UHFFFAOYSA-N 0 0 330.392 0.800 10 0 ECAERN COc1ccc(C(=O)NC[C@@H]2CN(C)CCO2)nc1Br ZINC000182929868 437368809 /nfs/dbraw/zinc/36/88/09/437368809.db2.gz DRPSBOYUXIUBOA-SECBINFHSA-N 0 0 344.209 0.913 10 0 ECAERN Cc1cc(N2CCC[C@H](NC(=O)Cc3ccn(C)n3)C2=O)n(C)n1 ZINC000181581172 437324534 /nfs/dbraw/zinc/32/45/34/437324534.db2.gz FMDBPMKBTUWWBR-ZDUSSCGKSA-N 0 0 330.392 0.316 10 0 ECAERN Cc1noc([C@@H]2COCCN2C(=O)CNC(=O)c2cccs2)n1 ZINC000182086134 437337076 /nfs/dbraw/zinc/33/70/76/437337076.db2.gz AYOLTQXESZFAPM-JTQLQIEISA-N 0 0 336.373 0.769 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)NCc2nnc3n2CCCC3)CC1 ZINC000184881839 437415086 /nfs/dbraw/zinc/41/50/86/437415086.db2.gz GXAJJMXDRYBCAD-ZDUSSCGKSA-N 0 0 336.440 0.213 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)NCCCNc2ccccn2)CC1 ZINC000184858117 437416810 /nfs/dbraw/zinc/41/68/10/437416810.db2.gz UEAFRFVYHDLDPK-HNNXBMFYSA-N 0 0 335.452 0.982 10 0 ECAERN C[NH+](C)C[C@H]1CN(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CCO1 ZINC000184968769 437420033 /nfs/dbraw/zinc/42/00/33/437420033.db2.gz GEPUZFDITYQGJR-ROUUACIJSA-N 0 0 348.491 0.668 10 0 ECAERN CCC[C@H]([NH2+]CCC(=O)N1CCN(c2ccccn2)CC1)C(=O)[O-] ZINC000185047303 437422268 /nfs/dbraw/zinc/42/22/68/437422268.db2.gz TWXMZNFRXQFNFY-AWEZNQCLSA-N 0 0 334.420 0.963 10 0 ECAERN CCc1nc2ccccc2n1CC(=O)N1CC(NC(=O)COC)C1 ZINC000185226213 437431781 /nfs/dbraw/zinc/43/17/81/437431781.db2.gz YKGBLODZUFJCIU-UHFFFAOYSA-N 0 0 330.388 0.572 10 0 ECAERN COCC(=O)NC1CN(C[C@H](O)c2cccc(Br)c2)C1 ZINC000185087669 437425138 /nfs/dbraw/zinc/42/51/38/437425138.db2.gz LJBZXHDJSOZSPQ-ZDUSSCGKSA-N 0 0 343.221 0.929 10 0 ECAERN O=C(CN1C[C@@H](O)C[C@@H]1CO)N(Cc1ccco1)CC(F)(F)F ZINC000185150438 437426214 /nfs/dbraw/zinc/42/62/14/437426214.db2.gz QJZDSBRKRHMZAK-MNOVXSKESA-N 0 0 336.310 0.598 10 0 ECAERN CCO[C@H]1C[C@H](NS(=O)(=O)c2cnn(C)c2)C12CCOCC2 ZINC000185150094 437428435 /nfs/dbraw/zinc/42/84/35/437428435.db2.gz VXVUJYVTRMZEKK-STQMWFEESA-N 0 0 329.422 0.673 10 0 ECAERN COc1cc(N2CCN(C(=O)NCCn3cc(C)cn3)CC2)ncn1 ZINC000183598209 437387219 /nfs/dbraw/zinc/38/72/19/437387219.db2.gz RRFUFLMKGXMDNF-UHFFFAOYSA-N 0 0 345.407 0.522 10 0 ECAERN O=C(CNC(=O)N1CCCC[C@@H]1CN1CCOCC1)NCC1CC1 ZINC000183786086 437391830 /nfs/dbraw/zinc/39/18/30/437391830.db2.gz IDZRENGIRMGENO-OAHLLOKOSA-N 0 0 338.452 0.409 10 0 ECAERN Cc1noc([C@H]2COCCN2C(=O)c2ccc(-n3cnnn3)cc2)n1 ZINC000186600016 437477926 /nfs/dbraw/zinc/47/79/26/437477926.db2.gz HJDHIZKLMQYDSM-CYBMUJFWSA-N 0 0 341.331 0.567 10 0 ECAERN C[C@@H]1CN(C(=O)c2ccc3nnn(C)c3c2)C[C@@H]1N1CCOCC1 ZINC000185367753 437435455 /nfs/dbraw/zinc/43/54/55/437435455.db2.gz BQIMCANVCDDNMG-WBMJQRKESA-N 0 0 329.404 0.761 10 0 ECAERN COCC(=O)NC1CN(C(=O)N[C@H]2CCCN(c3ccccc3)C2)C1 ZINC000185442055 437439534 /nfs/dbraw/zinc/43/95/34/437439534.db2.gz PJZNWPJJDUBUCX-AWEZNQCLSA-N 0 0 346.431 0.812 10 0 ECAERN CCc1nn(C)c(CC)c1CNC(=O)N1CC(NC(=O)COC)C1 ZINC000185725546 437448778 /nfs/dbraw/zinc/44/87/78/437448778.db2.gz UQEFNLGROJXDEG-UHFFFAOYSA-N 0 0 337.424 0.201 10 0 ECAERN O=C(NC[C@@H](O)CN1CCOCC1)Nc1cccc(-c2cc[nH]n2)c1 ZINC000185921529 437456429 /nfs/dbraw/zinc/45/64/29/437456429.db2.gz SGEGHKJBDLOMKJ-OAHLLOKOSA-N 0 0 345.403 0.891 10 0 ECAERN Cc1nn(C)c(C)c1S(=O)(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000186187787 437464855 /nfs/dbraw/zinc/46/48/55/437464855.db2.gz HNMGDRZWKJNCMR-UHFFFAOYSA-N 0 0 326.422 0.326 10 0 ECAERN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)N1CC(NC(=O)C2CC2)C1 ZINC000187294188 437498803 /nfs/dbraw/zinc/49/88/03/437498803.db2.gz NWPOWVXAJJMTBN-SNVBAGLBSA-N 0 0 333.436 0.888 10 0 ECAERN CC(C)c1nnc2n1C[C@H](NC(=O)N1CCN(C)C(=O)[C@@H]1C)CC2 ZINC000187782839 437514937 /nfs/dbraw/zinc/51/49/37/437514937.db2.gz QQHSMTTYSQZFPR-NWDGAFQWSA-N 0 0 334.424 0.588 10 0 ECAERN COCC(=O)NC1CN(C(=O)N[C@H](C)c2nc3ccccc3[nH]2)C1 ZINC000188228745 437538493 /nfs/dbraw/zinc/53/84/93/437538493.db2.gz NFGXZHKDQYNEBG-SNVBAGLBSA-N 0 0 331.376 0.780 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)N1CC(NC(=O)C3CC3)C1)CC2 ZINC000187114754 437491831 /nfs/dbraw/zinc/49/18/31/437491831.db2.gz LWPSBGVGPVSDKU-NSHDSACASA-N 0 0 332.408 0.075 10 0 ECAERN C[C@H](CNC(=O)C(=O)Nc1cnn([C@H](C)C2CC2)c1)N1CCOCC1 ZINC000188414512 437545715 /nfs/dbraw/zinc/54/57/15/437545715.db2.gz YNNWJEQRWWMDBT-CHWSQXEVSA-N 0 0 349.435 0.630 10 0 ECAERN COCC(=O)NC1CN(C(=O)NC[C@H](C)N2CCc3ccccc32)C1 ZINC000188415076 437545729 /nfs/dbraw/zinc/54/57/29/437545729.db2.gz MFZFEJHERNHLNR-ZDUSSCGKSA-N 0 0 346.431 0.594 10 0 ECAERN Cc1cc(=O)n(C)cc1NC(=O)C(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000190760837 437634782 /nfs/dbraw/zinc/63/47/82/437634782.db2.gz BXQTWLGHKZOSPJ-CYBMUJFWSA-N 0 0 343.387 0.520 10 0 ECAERN O=C(N[C@@H](Cc1ccccc1)C(F)(F)F)NN1CC(=O)NC1=O ZINC000190985217 437643689 /nfs/dbraw/zinc/64/36/89/437643689.db2.gz WSWWXEXQKLYXPA-VIFPVBQESA-N 0 0 330.266 0.926 10 0 ECAERN CC(C)c1noc2ncc(C(=O)NC[C@H](O)CN3CCOCC3)cc21 ZINC000192708136 437688394 /nfs/dbraw/zinc/68/83/94/437688394.db2.gz ZUVQSUCKFPWQOA-ZDUSSCGKSA-N 0 0 348.403 0.769 10 0 ECAERN CO[C@H]1C[C@H](C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)N(S(C)(=O)=O)C1 ZINC000365768112 437967709 /nfs/dbraw/zinc/96/77/09/437967709.db2.gz RNJSIOFVOHXCLF-RKQHYHRCSA-N 0 0 332.466 0.976 10 0 ECAERN CCC[C@@H]1CN(C(=O)[C@H]2C[C@H](OC)CN2S(C)(=O)=O)CCO1 ZINC000366050467 438010453 /nfs/dbraw/zinc/01/04/53/438010453.db2.gz CXXKTMJKLAZBAJ-FRRDWIJNSA-N 0 0 334.438 0.063 10 0 ECAERN O=C(CN1C[C@@H](F)C[C@H]1CO)NCc1ccc(N2CCCC2=O)cc1 ZINC000372516124 438092194 /nfs/dbraw/zinc/09/21/94/438092194.db2.gz JFDDXGCXYBDMDT-HOCLYGCPSA-N 0 0 349.406 0.834 10 0 ECAERN Cc1ccc(C(=O)N2C[C@H](C(N)=O)[C@@H](c3cnn(C)c3)C2)c(C)n1 ZINC000367574873 438225606 /nfs/dbraw/zinc/22/56/06/438225606.db2.gz YNOVVINHODNNAQ-CABCVRRESA-N 0 0 327.388 0.773 10 0 ECAERN CNC(=O)[C@H]1CCCN1C(=O)N[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000368355635 438318566 /nfs/dbraw/zinc/31/85/66/438318566.db2.gz QHQFBSXSERHRHC-IJLUTSLNSA-N 0 0 331.438 0.262 10 0 ECAERN C[C@@H]1CCCCN1S(=O)(=O)N1CCO[C@@H](c2cnn(C)c2)C1 ZINC000378029375 438339681 /nfs/dbraw/zinc/33/96/81/438339681.db2.gz FWQFLIBJLIIOME-TZMCWYRMSA-N 0 0 328.438 0.913 10 0 ECAERN C[C@@H]1C[C@@H](CO)C[N@H+](C[C@H](O)CN2C(=O)c3ccccc3C2=O)C1 ZINC000398623946 438452509 /nfs/dbraw/zinc/45/25/09/438452509.db2.gz LIGZYUHIIICTDY-MCIONIFRSA-N 0 0 332.400 0.594 10 0 ECAERN COC(=O)c1ncn([C@H]2O[C@H](COC(C)=O)[C@H]3OC(C)(C)O[C@@H]32)n1 ZINC000575418491 438748876 /nfs/dbraw/zinc/74/88/76/438748876.db2.gz QEPMHZGGDGDYIX-SVDPJWKOSA-N 0 0 341.320 0.045 10 0 ECAERN O=C(COc1cccnc1)N1CC[C@@H](Nc2ccc3nccn3n2)C1 ZINC000580260145 439075858 /nfs/dbraw/zinc/07/58/58/439075858.db2.gz HFAOIZGWIKJDHA-CYBMUJFWSA-N 0 0 338.371 1.216 10 0 ECAERN CC(=O)N1CCC[C@](O)(C(=O)Nc2ccn(Cc3ccccc3)n2)C1 ZINC000570299555 439409624 /nfs/dbraw/zinc/40/96/24/439409624.db2.gz XYZKBQZJNXXKOI-GOSISDBHSA-N 0 0 342.399 1.243 10 0 ECAERN Cc1nn(CC(C)C)c(C)c1CC(=O)N1CC[C@](O)(c2cn[nH]n2)C1 ZINC000583618301 439487998 /nfs/dbraw/zinc/48/79/98/439487998.db2.gz LGWLTXCZGQEILD-QGZVFWFLSA-N 0 0 346.435 0.937 10 0 ECAERN Cn1cc(C(=O)N[C@H]2CC[C@H](C(F)(F)F)N(C)C2)c(=O)[nH]c1=O ZINC000583619996 439488539 /nfs/dbraw/zinc/48/85/39/439488539.db2.gz HEFRXXQOMLZXES-IONNQARKSA-N 0 0 334.298 0.241 10 0 ECAERN Cc1cc(C)n(CC(=O)N[C@@H]2CC(=O)N(C)[C@H]2c2cccnc2)n1 ZINC000583619583 439489043 /nfs/dbraw/zinc/48/90/43/439489043.db2.gz XEAPHJQJTUIMGC-PBHICJAKSA-N 0 0 327.388 0.983 10 0 ECAERN CN(C[C@@H]1C[C@H](F)CN1Cc1cncnc1)C(=O)[C@H]1CC(=O)N(C)C1 ZINC000583621779 439489570 /nfs/dbraw/zinc/48/95/70/439489570.db2.gz NJZVXZKTPXPVCV-KKUMJFAQSA-N 0 0 349.410 0.326 10 0 ECAERN Cc1ccc2ncnc(N3CCN4CCS(=O)(=O)C[C@@H]4C3)c2c1 ZINC000583650867 439494933 /nfs/dbraw/zinc/49/49/33/439494933.db2.gz DWPCZSOPJCACHU-ZDUSSCGKSA-N 0 0 332.429 0.857 10 0 ECAERN C[NH+]1CCN([C@@H]2C[C@H](C(=O)[O-])CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000536960506 439540796 /nfs/dbraw/zinc/54/07/96/439540796.db2.gz VVWDHXQYWKHHHR-QWHCGFSZSA-N 0 0 327.425 0.944 10 0 ECAERN O=C(COc1ccc(Br)cc1F)N[C@@H]1CCNC1=O ZINC000616971264 439825812 /nfs/dbraw/zinc/82/58/12/439825812.db2.gz OQXRMGCWYKDFLT-SECBINFHSA-N 0 0 331.141 0.972 10 0 ECAERN COc1cccc(OCCC(=O)N2C[C@@H](O)[C@H](n3ccnn3)C2)c1 ZINC000633585301 440524263 /nfs/dbraw/zinc/52/42/63/440524263.db2.gz SCRYHHYJAOEQDU-HUUCEWRRSA-N 0 0 332.360 0.500 10 0 ECAERN CO[C@@H]1COC[C@@H]1NC(=O)N1CCC[C@H]1c1ccc(N(C)C)nn1 ZINC000644508108 440632458 /nfs/dbraw/zinc/63/24/58/440632458.db2.gz BXHSVGOXKMKKFW-MELADBBJSA-N 0 0 335.408 0.803 10 0 ECAERN NC(=O)[C@]1(O)CCCN(C(=O)c2csc(Br)c2)C1 ZINC000285732759 320638634 /nfs/dbraw/zinc/63/86/34/320638634.db2.gz YMXZJZWFWNGMFC-NSHDSACASA-N 0 0 333.207 0.963 10 0 ECAERN CC(C)CN(C(=O)CN1CCOC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000328699390 320728077 /nfs/dbraw/zinc/72/80/77/320728077.db2.gz VOOPTDZXMIZACD-HUUCEWRRSA-N 0 0 346.493 0.626 10 0 ECAERN O=C(Cn1ncc(=O)c2ccccc21)N1CCOC[C@]12CCOC2 ZINC000328721846 320729478 /nfs/dbraw/zinc/72/94/78/320729478.db2.gz RNRUBWSNZLMQIV-QGZVFWFLSA-N 0 0 329.356 0.414 10 0 ECAERN Cn1cnc2cc(C(=O)N3CCOC[C@@H]3[C@@H]3CCC[C@H]3O)cnc21 ZINC000329076522 320751554 /nfs/dbraw/zinc/75/15/54/320751554.db2.gz CGYVSIPHVMQWKI-NWANDNLSSA-N 0 0 330.388 0.970 10 0 ECAERN COc1ccc(C(=O)N2CCO[C@@H](CO)C2)cc1-c1ccn(C)n1 ZINC000329110001 320753878 /nfs/dbraw/zinc/75/38/78/320753878.db2.gz QBXLBTIOPJFJMU-CYBMUJFWSA-N 0 0 331.372 0.929 10 0 ECAERN Cc1cc(C(=O)N2CC[C@H]3[C@@H](C2)NC(=O)N3C)c2cnn(C)c2n1 ZINC000329141790 320755666 /nfs/dbraw/zinc/75/56/66/320755666.db2.gz ULWXXRRTFLNBKP-OLZOCXBDSA-N 0 0 328.376 0.719 10 0 ECAERN CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)N(C)[C@@H]1COC[C@H]1O ZINC000329355563 320767821 /nfs/dbraw/zinc/76/78/21/320767821.db2.gz FPKXUMICEGBDSS-KFWWJZLASA-N 0 0 338.379 0.798 10 0 ECAERN C[C@@H](CNC(=O)NC[C@](C)(O)c1cccs1)N1CCOCC1 ZINC000153621345 533968472 /nfs/dbraw/zinc/96/84/72/533968472.db2.gz LECPSUPMORZLPI-WFASDCNBSA-N 0 0 327.450 0.976 10 0 ECAERN CC(=O)NC1CN(C(=O)C(=O)Nc2cccc(-c3nccn3C)c2)C1 ZINC000191346447 526704893 /nfs/dbraw/zinc/70/48/93/526704893.db2.gz XLVJIHSMAJHGBE-UHFFFAOYSA-N 0 0 341.371 0.373 10 0 ECAERN CC(=O)NC1CN(C(=O)Cc2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000190471158 526707114 /nfs/dbraw/zinc/70/71/14/526707114.db2.gz BXHGKNNXTYETNE-UHFFFAOYSA-N 0 0 346.355 0.572 10 0 ECAERN CC(C)(C)c1cc(NC(=O)NCCC(N)=O)n(-c2ncccn2)n1 ZINC000190114931 526759900 /nfs/dbraw/zinc/75/99/00/526759900.db2.gz QHDQXCZIEFORIB-UHFFFAOYSA-N 0 0 331.380 0.957 10 0 ECAERN CC(C)(Oc1ccc(F)cc1)C(=O)NC[C@H](O)CN1CCOCC1 ZINC000154147073 527375402 /nfs/dbraw/zinc/37/54/02/527375402.db2.gz SPQBNSOGZLNTGX-AWEZNQCLSA-N 0 0 340.395 0.792 10 0 ECAERN CC(C)C(=O)NCCNC(=O)N[C@H]1CCc2nnc(C(C)C)n2C1 ZINC000181401420 527506745 /nfs/dbraw/zinc/50/67/45/527506745.db2.gz CSGYMTDHJPNISM-LBPRGKRZSA-N 0 0 336.440 0.788 10 0 ECAERN CN(C[C@H]1CN(C)CCO1)C(=O)CN1C(=O)c2ccccc2C1=O ZINC000074774691 545684654 /nfs/dbraw/zinc/68/46/54/545684654.db2.gz XICYVAWZCICGLY-GFCCVEGCSA-N 0 0 331.372 0.072 10 0 ECAERN C[C@H](C(=O)N1CCC(C(N)=O)CC1)N1C(=O)c2ccccc2C1=O ZINC000075241356 545689150 /nfs/dbraw/zinc/68/91/50/545689150.db2.gz LZMWVBWNQMVZNG-SNVBAGLBSA-N 0 0 329.356 0.395 10 0 ECAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)c1cc(S(N)(=O)=O)ccc1C ZINC000176291003 545871886 /nfs/dbraw/zinc/87/18/86/545871886.db2.gz NECBKDNIUSMHNX-ZDUSSCGKSA-N 0 0 349.416 0.807 10 0 ECAERN CCOc1ccnc(N2CCN(C(=O)CCc3c[nH]cn3)CC2)n1 ZINC000189346908 545904896 /nfs/dbraw/zinc/90/48/96/545904896.db2.gz GQKSOSGAMPOELF-UHFFFAOYSA-N 0 0 330.392 0.880 10 0 ECAERN Cc1ccccc1CC(=O)N1CCN(C(=O)[C@@H]2COCCN2)CC1 ZINC000237712005 545931447 /nfs/dbraw/zinc/93/14/47/545931447.db2.gz CVDSUROPOHVGRA-INIZCTEOSA-N 0 0 331.416 0.197 10 0 ECAERN CCOC(=O)[C@@H]1CCCN(C(=O)C(=O)N2C[C@@H](C)O[C@H](C)C2)C1 ZINC000242567846 545934645 /nfs/dbraw/zinc/93/46/45/545934645.db2.gz CFRHDCPMYJBEOH-JHJVBQTASA-N 0 0 326.393 0.424 10 0 ECAERN Cn1nccc1[C@H]1[C@H](NC(=O)N2CC[C@H](F)C2)CC(=O)N1C1CC1 ZINC000333537876 546061241 /nfs/dbraw/zinc/06/12/41/546061241.db2.gz RJPYRUNOMQHZKL-JVLSTEMRSA-N 0 0 335.383 0.978 10 0 ECAERN CNC(=O)C1(C(=O)N2C[C@@H](C)O[C@@H](c3nc(C4CC4)no3)C2)CC1 ZINC000623173447 546744243 /nfs/dbraw/zinc/74/42/43/546744243.db2.gz FYECGJSXUJTWRH-MWLCHTKSSA-N 0 0 334.376 0.762 10 0 ECAERN CC(C)(C)OC(=O)N1CCC[C@]2(CC(=O)O[C@@H]2CS(N)(=O)=O)C1 ZINC000757228213 579460184 /nfs/dbraw/zinc/46/01/84/579460184.db2.gz WZWMOGGJLZJRBU-YGRLFVJLSA-N 0 0 348.421 0.608 10 0 ECAERN CO[C@H]1CCCCN(CC(=O)Nc2nc3cccnc3n2C)C1=O ZINC000888076612 586245837 /nfs/dbraw/zinc/24/58/37/586245837.db2.gz YTYKPSYYCXCKQB-LBPRGKRZSA-N 0 0 331.376 0.934 10 0 ECAERN CCn1cc(S(=O)(=O)N2C[C@H](OC)C[C@@H]2c2ncc[nH]2)cn1 ZINC000888077742 586246068 /nfs/dbraw/zinc/24/60/68/586246068.db2.gz RWTNWDPAZCPVAS-ZYHUDNBSSA-N 0 0 325.394 0.777 10 0 ECAERN Cc1ccc(-n2cnnc2)c(C(=O)N[C@H]2C[C@@H](O)[C@@H]2n2cccn2)c1 ZINC000888079468 586246853 /nfs/dbraw/zinc/24/68/53/586246853.db2.gz VQQMYAZOQLAZQL-NUEKZKHPSA-N 0 0 338.371 0.877 10 0 ECAERN Cc1ccc(CN(C(=O)c2cn([C@@H]3COC[C@H]3O)nn2)C2CC2)o1 ZINC000888093820 586348561 /nfs/dbraw/zinc/34/85/61/586348561.db2.gz VPJDNBUZRBVNKL-HUUCEWRRSA-N 0 0 332.360 0.917 10 0 ECAERN Cn1nc(C[C@H]2CCCC[C@H]2NC(=O)C2CC(C)(O)C2)n(C)c1=O ZINC000888095357 586349387 /nfs/dbraw/zinc/34/93/87/586349387.db2.gz XGOMRWYOPIYZQT-GWUZIGMUSA-N 0 0 336.436 0.497 10 0 ECAERN CCn1nncc1CNC(=O)c1coc(CN2CC[C@@H](OC)C2)n1 ZINC000888095595 586349425 /nfs/dbraw/zinc/34/94/25/586349425.db2.gz TVQPASVHJVGUPW-GFCCVEGCSA-N 0 0 334.380 0.437 10 0 ECAERN Cc1noc([C@H]2COCCN2C2CN(c3ncnc4[nH]ccc43)C2)n1 ZINC000888099421 586350467 /nfs/dbraw/zinc/35/04/67/586350467.db2.gz YPRZSPOAADJAKU-CYBMUJFWSA-N 0 0 341.375 0.911 10 0 ECAERN Cc1nnc2n1C[C@H](C(=O)NCc1nc3cccc(C)c3n1C)NC2 ZINC000818221374 587414818 /nfs/dbraw/zinc/41/48/18/587414818.db2.gz LSIFRYJISSKEDD-CYBMUJFWSA-N 0 0 339.403 0.570 10 0 ECAERN CCc1noc([C@H](C)N2CCN(CN3CCOC3=S)CC2)n1 ZINC000112071021 589576566 /nfs/dbraw/zinc/57/65/66/589576566.db2.gz YSIGZSFJZUAEOV-NSHDSACASA-N 0 0 325.438 0.885 10 0 ECAERN Cc1cnn(C[C@@H]2CN(Cn3nc4ccccn4c3=O)CCO2)c1 ZINC000112071527 589576933 /nfs/dbraw/zinc/57/69/33/589576933.db2.gz GAYBGAPXVDYECX-AWEZNQCLSA-N 0 0 328.376 0.359 10 0 ECAERN COCCN1CCN(S(=O)(=O)c2ncn(C)c2Cl)C[C@@H]1C ZINC000117370245 589760371 /nfs/dbraw/zinc/76/03/71/589760371.db2.gz QINDSLBBKUIXEF-JTQLQIEISA-N 0 0 336.845 0.415 10 0 ECAERN Cn1cc([C@@H]2CCN(Cn3nnn(-c4ccccc4)c3=O)C2)cn1 ZINC000116259358 589765775 /nfs/dbraw/zinc/76/57/75/589765775.db2.gz XGSWNRLNRHGRSL-CYBMUJFWSA-N 0 0 325.376 0.610 10 0 ECAERN O=C(Nc1cccnc1Br)C(=O)N1CCC[C@@H]1CO ZINC000121213519 589771575 /nfs/dbraw/zinc/77/15/75/589771575.db2.gz BPMSTPCWCSMBNZ-MRVPVSSYSA-N 0 0 328.166 0.766 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)N1CCC(OC(C)=O)CC1)CC2 ZINC000132758996 590660394 /nfs/dbraw/zinc/66/03/94/590660394.db2.gz ARYCDLCPPVFITC-GFCCVEGCSA-N 0 0 335.408 0.892 10 0 ECAERN COc1ccc(CN2CCN([C@@]3(C(N)=O)CCOC3)CC2)cc1C ZINC000886026731 590787144 /nfs/dbraw/zinc/78/71/44/590787144.db2.gz ROGQHFYLOVISJY-SFHVURJKSA-N 0 0 333.432 0.766 10 0 ECAERN NC(=O)[C@@H]1CN(C(=O)/C=C\c2cncc(O)c2)C[C@H]1C(F)(F)F ZINC000886041059 590787512 /nfs/dbraw/zinc/78/75/12/590787512.db2.gz KVCQJNJGWNUJLL-JLVKAVFRSA-N 0 0 329.278 0.923 10 0 ECAERN Cc1cc(CO)oc1C(=O)NC[C@@H]1OCCN(C)[C@H]1c1ccnn1C ZINC000886062866 590788766 /nfs/dbraw/zinc/78/87/66/590788766.db2.gz VWXCPVLYBRSYLV-GJZGRUSLSA-N 0 0 348.403 0.616 10 0 ECAERN CCn1nc(C)c(CC(=O)N2C[C@@H](OC)[C@H](c3cn(C)nn3)C2)c1C ZINC000886077925 590791653 /nfs/dbraw/zinc/79/16/53/590791653.db2.gz KCPFJUQHHQDEPL-GOEBONIOSA-N 0 0 346.435 0.832 10 0 ECAERN COc1cc(C(=O)N2CCN([C@@]3(C(N)=O)CCOC3)CC2)ccc1C ZINC000886078427 590791701 /nfs/dbraw/zinc/79/17/01/590791701.db2.gz YUYCRQQNMZFLKJ-SFHVURJKSA-N 0 0 347.415 0.406 10 0 ECAERN CO[C@H]1CCCCN(CC(=O)N(C)Cc2nncn2C(C)C)C1=O ZINC000886078183 590791905 /nfs/dbraw/zinc/79/19/05/590791905.db2.gz PKULVYSVMQAXLN-ZDUSSCGKSA-N 0 0 337.424 0.845 10 0 ECAERN CC(C)Cn1cc(C(=O)N2CCC[C@@](O)(Cc3nncn3C)C2)cn1 ZINC000886084958 590792701 /nfs/dbraw/zinc/79/27/01/590792701.db2.gz NZCRMZHUJNSIPT-QGZVFWFLSA-N 0 0 346.435 0.877 10 0 ECAERN CCS(=O)(=O)N1CC[C@H](Oc2ccnc(CNC(C)=O)c2)C1 ZINC000886080301 590792804 /nfs/dbraw/zinc/79/28/04/590792804.db2.gz UWIRWMMBBAJQRD-AWEZNQCLSA-N 0 0 327.406 0.521 10 0 ECAERN Cc1nc(C(=O)NC[C@@H]2OCCN(C)[C@H]2c2ccnn2C)c(C)o1 ZINC000886080043 590792870 /nfs/dbraw/zinc/79/28/70/590792870.db2.gz LRTDWVBVSDDXMT-ZFWWWQNUSA-N 0 0 333.392 0.827 10 0 ECAERN CO[C@@H]1CCCCN(CC(=O)N2CCC(OCCO)CC2)C1=O ZINC000886088409 590793479 /nfs/dbraw/zinc/79/34/79/590793479.db2.gz TWTKIFUJKZFGCZ-CQSZACIVSA-N 0 0 328.409 0.014 10 0 ECAERN Cc1ccc(C(=O)N[C@@H]2CCC(=O)N(C)[C@H]2c2nccn2C)nn1 ZINC000886084981 590793559 /nfs/dbraw/zinc/79/35/59/590793559.db2.gz QYWDASQTQMBBSV-BXUZGUMPSA-N 0 0 328.376 0.610 10 0 ECAERN CO[C@@H]1CCCCN(CC(=O)NCCOc2ncccc2F)C1=O ZINC000886088380 590793651 /nfs/dbraw/zinc/79/36/51/590793651.db2.gz RQZRPAHGCKPPSZ-CYBMUJFWSA-N 0 0 339.367 0.743 10 0 ECAERN Cc1c([C@H]2CN(C(=O)Cc3ccc(C)nc3)C[C@@H]2C(N)=O)cnn1C ZINC000886085400 590793719 /nfs/dbraw/zinc/79/37/19/590793719.db2.gz GKYSTTMQVMENJW-CVEARBPZSA-N 0 0 341.415 0.702 10 0 ECAERN Cc1cnn([C@H]2[C@H](O)C[C@@H]2NC(=O)c2cc(CN3CCCC3)on2)c1 ZINC000886094931 590794512 /nfs/dbraw/zinc/79/45/12/590794512.db2.gz HZDSXPZNBXGXFT-NUEKZKHPSA-N 0 0 345.403 0.880 10 0 ECAERN O=C([O-])[C@]1([NH+]2CCN(c3ccc(C(F)(F)F)nn3)CC2)CCOC1 ZINC000886094765 590795068 /nfs/dbraw/zinc/79/50/68/590795068.db2.gz DQMWCZCMZRLEMH-ZDUSSCGKSA-N 0 0 346.309 0.861 10 0 ECAERN Cn1ncc(C(=O)N[C@@H]2C[C@H](O)[C@H]2n2cccn2)c1Br ZINC000828614591 591169255 /nfs/dbraw/zinc/16/92/55/591169255.db2.gz AFTLKBCIVDSYHI-UTLUCORTSA-N 0 0 340.181 0.483 10 0 ECAERN Cc1nc(CN2CCCN(C(=O)Nc3nnn(C)n3)CC2)cs1 ZINC000932269754 611612019 /nfs/dbraw/zinc/61/20/19/611612019.db2.gz MAGDYFPXQOQCAD-UHFFFAOYSA-N 0 0 336.425 0.715 10 0 ECAERN CCCC[C@H]1NC(=O)N(CN2CCO[C@@H](Cn3cccn3)C2)C1=O ZINC000246905077 608625644 /nfs/dbraw/zinc/62/56/44/608625644.db2.gz CGRFHARLHJTDIZ-ZIAGYGMSSA-N 0 0 335.408 0.652 10 0 ECAERN O=C(OC[C@@H]1CC(=O)N(CCc2ccccc2)C1)[C@@H]1CNC(=O)C1 ZINC000176173428 608784105 /nfs/dbraw/zinc/78/41/05/608784105.db2.gz CQMJVOUNMYXQJM-CABCVRRESA-N 0 0 330.384 0.757 10 0 ECAERN CCC[C@H]([NH3+])C(=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000178123131 608948898 /nfs/dbraw/zinc/94/88/98/608948898.db2.gz FXFZVMMABYHJPF-JTQLQIEISA-N 0 0 345.387 0.792 10 0 ECAERN O=S(=O)(c1cncc(Br)c1)N1CCOC[C@@H]1CO ZINC000168666678 609031746 /nfs/dbraw/zinc/03/17/46/609031746.db2.gz LGQGFAAHUWEUAM-VIFPVBQESA-N 0 0 337.195 0.226 10 0 ECAERN CC(C)C(=O)N1CCC[C@H](c2nc3c([nH]2)n(C)c(=O)n(C)c3=O)C1 ZINC000222504430 609082684 /nfs/dbraw/zinc/08/26/84/609082684.db2.gz ZPMBIOZPLMDSCK-JTQLQIEISA-N 0 0 333.392 0.322 10 0 ECAERN O=C(c1cnc2nsnc2c1)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000222611042 609702644 /nfs/dbraw/zinc/70/26/44/609702644.db2.gz UEMKBIPXKOLUHQ-GFCCVEGCSA-N 0 0 347.400 0.550 10 0 ECAERN COCCS(=O)(=O)N1CCN(c2cncc3cccnc32)CC1 ZINC000223134533 609708068 /nfs/dbraw/zinc/70/80/68/609708068.db2.gz JZQSWXDTXPQXTR-UHFFFAOYSA-N 0 0 336.417 0.728 10 0 ECAERN CNC(=O)CCNC(=O)c1ccc(=O)n(-c2ccc(OC)cc2)c1 ZINC000223315609 609709806 /nfs/dbraw/zinc/70/98/06/609709806.db2.gz ALOOFZVWQWJRTN-UHFFFAOYSA-N 0 0 329.356 0.712 10 0 ECAERN Cc1cc(C(=O)NCC2(CN3CCOCC3)CCOCC2)nn1C ZINC000223609576 609713096 /nfs/dbraw/zinc/71/30/96/609713096.db2.gz IMGRPYRFQJHKML-UHFFFAOYSA-N 0 0 336.436 0.587 10 0 ECAERN CC(C)C[C@@H]1Nc2ncnc(NCC(=O)N3CCOCC3)c2NC1=O ZINC000224011588 609716337 /nfs/dbraw/zinc/71/63/37/609716337.db2.gz MCCPXSCRFDROEP-NSHDSACASA-N 0 0 348.407 0.526 10 0 ECAERN O=S(=O)(c1cccc(Br)c1)N1CCOC[C@@H]1CO ZINC000168648370 609738329 /nfs/dbraw/zinc/73/83/29/609738329.db2.gz FWLGYDNZRZHJJI-JTQLQIEISA-N 0 0 336.207 0.831 10 0 ECAERN Cc1cc(C(F)(F)F)nn1CC(=O)N1CCc2n[nH]c(=O)n2CC1 ZINC000169790034 609746583 /nfs/dbraw/zinc/74/65/83/609746583.db2.gz FUOSHRUJOVLCQW-UHFFFAOYSA-N 0 0 344.297 0.180 10 0 ECAERN CC(C)[C@H](NC(N)=O)C(=O)NCc1ccc(N2CCO[C@@H](C)C2)nc1 ZINC000229706455 609760758 /nfs/dbraw/zinc/76/07/58/609760758.db2.gz WIJRDKYDSVDZAX-WFASDCNBSA-N 0 0 349.435 0.616 10 0 ECAERN C[C@H](CN1CCOCC1)OC(=O)Cn1c(=O)cnc2ccccc21 ZINC000179515253 609836021 /nfs/dbraw/zinc/83/60/21/609836021.db2.gz HWVJSRJWPVPGNE-CYBMUJFWSA-N 0 0 331.372 0.660 10 0 ECAERN C[C@@]1(C2CC2)NC(=O)N(CN2CCO[C@H](Cn3cccn3)C2)C1=O ZINC000152832218 609882745 /nfs/dbraw/zinc/88/27/45/609882745.db2.gz ONHRFQPEUVVZNC-BBRMVZONSA-N 0 0 333.392 0.262 10 0 ECAERN Cc1cc(C)n(C[C@H]2CN(CN3C(=O)CC(C)(C)C3=O)CCO2)n1 ZINC000152878530 609886423 /nfs/dbraw/zinc/88/64/23/609886423.db2.gz NXOGHCVXDRVOJY-CQSZACIVSA-N 0 0 334.420 0.943 10 0 ECAERN CC(C)n1nnnc1C[S@@](=O)CCS(=O)(=O)c1ccccc1 ZINC000152950060 609887988 /nfs/dbraw/zinc/88/79/88/609887988.db2.gz SBDMSPXGMZXKKK-OAQYLSRUSA-N 0 0 342.446 0.977 10 0 ECAERN C[C@H]1C(=O)N(NC(=O)[C@@H]2CCCO[C@H]2c2nccn2C)C(=O)N1C ZINC000912817116 610010532 /nfs/dbraw/zinc/01/05/32/610010532.db2.gz NSFRXQNLDCJOMB-HBNTYKKESA-N 0 0 335.364 0.202 10 0 ECAERN Cc1nn(C)c(C)c1[C@@H]1OCC[C@H]1NC(=O)[C@@H]1CN(C)C[C@H](C)O1 ZINC000913086786 610037091 /nfs/dbraw/zinc/03/70/91/610037091.db2.gz LMMQKMFFRVGPAG-HPGNRBDVSA-N 0 0 336.436 0.702 10 0 ECAERN COC(=O)[C@](N)(Cn1cc(I)cn1)C1CC1 ZINC000070678464 610461572 /nfs/dbraw/zinc/46/15/72/610461572.db2.gz XJODTTSXDDGGRE-JTQLQIEISA-N 0 0 335.145 0.768 10 0 ECAERN CCS(=O)(=O)CC(=O)N1CCC(c2nnc3n2CCC3)CC1 ZINC000054086599 611296563 /nfs/dbraw/zinc/29/65/63/611296563.db2.gz PWOLODYVNGSZBT-UHFFFAOYSA-N 0 0 326.422 0.365 10 0 ECAERN COC[C@]1(C)NC(=O)N(CN2CCC[C@H]2Cn2ccnc2C)C1=O ZINC000246129598 612763013 /nfs/dbraw/zinc/76/30/13/612763013.db2.gz FGCQSWJACOYKCU-BBRMVZONSA-N 0 0 335.408 0.570 10 0 ECAERN C[C@]1(C2CC2)NC(=O)N(CN2CCO[C@@H](Cn3cccn3)C2)C1=O ZINC000247103305 612801023 /nfs/dbraw/zinc/80/10/23/612801023.db2.gz ONHRFQPEUVVZNC-CZUORRHYSA-N 0 0 333.392 0.262 10 0 ECAERN CNc1ncc(Br)cc1S(=O)(=O)N[C@@H](C)C(N)=O ZINC000050656892 214064558 /nfs/dbraw/zinc/06/45/58/214064558.db2.gz LYDULBQDMFIYSJ-YFKPBYRVSA-N 0 0 337.199 0.038 10 0 ECAERN Cn1ccc2ccc(NC(=O)C(=O)NC[C@H]3CN(C)CCO3)cc21 ZINC000174905650 231340916 /nfs/dbraw/zinc/34/09/16/231340916.db2.gz XOBBKYSYXMTLFT-AWEZNQCLSA-N 0 0 330.388 0.564 10 0 ECAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)Cn1c2ccccc2[nH]c1=O ZINC000176285214 231616042 /nfs/dbraw/zinc/61/60/42/231616042.db2.gz MROBVJRGXUHUEA-GFCCVEGCSA-N 0 0 326.360 0.881 10 0 ECAERN CNC(=O)[C@H]1CN(C[C@H](O)COCc2ccc(Cl)cc2)CCO1 ZINC000184036750 529928733 /nfs/dbraw/zinc/92/87/33/529928733.db2.gz CNZXNTIMUYXYLW-LSDHHAIUSA-N 0 0 342.823 0.664 10 0 ECAERN CN(C)c1ncncc1NC(=O)C(=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000190131763 282331442 /nfs/dbraw/zinc/33/14/42/282331442.db2.gz FVNAUEMHFRGLJT-CYBMUJFWSA-N 0 0 343.391 0.958 10 0 ECAERN Cn1cc(C(=O)[C@@H]2CC[C@@]3(O)NC(=O)N[C@@]3(O)C2)c2ccccc21 ZINC000102240121 219191852 /nfs/dbraw/zinc/19/18/52/219191852.db2.gz XXOJAQFCXGVTGZ-GPNNCHTKSA-N 0 0 329.356 0.851 10 0 ECAERN C[N@@H+]1CCN(C(=O)CN2CCOc3ccccc3C2)C[C@H]1C(=O)[O-] ZINC000067742365 215200525 /nfs/dbraw/zinc/20/05/25/215200525.db2.gz DJCIZBCSBPRZNQ-AWEZNQCLSA-N 0 0 333.388 0.108 10 0 ECAERN CN1C(=O)CC[C@H](C(=O)N2CCNC(=O)CC2)[C@H]1c1ccccc1 ZINC000171801373 282615713 /nfs/dbraw/zinc/61/57/13/282615713.db2.gz ALMVZYQBOVBYNG-WMLDXEAASA-N 0 0 329.400 0.945 10 0 ECAERN C[N@@H+]1CCN(C(=O)c2[nH]nc(N)c2-c2ccccc2)C[C@H]1C(=O)[O-] ZINC000067851266 215232060 /nfs/dbraw/zinc/23/20/60/215232060.db2.gz PKFRMVJTCZEHQZ-NSHDSACASA-N 0 0 329.360 0.500 10 0 ECAERN O[C@@H](COc1ccccc1)CN1CCN(C[C@@H](O)C(F)(F)F)CC1 ZINC000181692934 234288256 /nfs/dbraw/zinc/28/82/56/234288256.db2.gz HJGPMDDBICRFST-UKRRQHHQSA-N 0 0 348.365 0.967 10 0 ECAERN NS(=O)(=O)[C@H]1C=NC=C(I)[C@H]1OC1CC1 ZINC000095734539 303442164 /nfs/dbraw/zinc/44/21/64/303442164.db2.gz GXZZGBNQQDZXRU-JGVFFNPUSA-N 0 0 342.158 0.552 10 0 ECAERN O=C(NCCNC(=O)N1CCCC[C@H]1c1cn[nH]c1)c1ccn[nH]1 ZINC000181866170 234358919 /nfs/dbraw/zinc/35/89/19/234358919.db2.gz ZJMYEYJZLNKXLS-ZDUSSCGKSA-N 0 0 331.380 0.799 10 0 ECAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)CN(C)S(C)(=O)=O ZINC000105849058 219561515 /nfs/dbraw/zinc/56/15/15/219561515.db2.gz UDZCCEOCYWDXPT-GFCCVEGCSA-N 0 0 328.438 0.592 10 0 ECAERN CNC(=O)CN1CCN(C(=O)c2cnc(Cl)c(Cl)c2)CC1 ZINC000037976700 213179572 /nfs/dbraw/zinc/17/95/72/213179572.db2.gz XSYXJNGQFREVRH-UHFFFAOYSA-N 0 0 331.203 0.892 10 0 ECAERN O=C(Nc1cccnc1Cl)C(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188017138 236386316 /nfs/dbraw/zinc/38/63/16/236386316.db2.gz XOLPVFZMVFBWFY-UHFFFAOYSA-N 0 0 336.779 0.801 10 0 ECAERN CCn1nc(C)c2c1nc(C)cc2C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000032611515 212819011 /nfs/dbraw/zinc/81/90/11/212819011.db2.gz KCPGTBNJTDELSQ-LLVKDONJSA-N 0 0 336.417 0.985 10 0 ECAERN CC(C)S(=O)(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000072273012 216097201 /nfs/dbraw/zinc/09/72/01/216097201.db2.gz RUAWQWYLQCULSL-UHFFFAOYSA-N 0 0 333.435 0.126 10 0 ECAERN [NH3+][C@H]1CCN(c2nc3c(cc2F)c(=O)c(C(=O)[O-])cn3CCF)C1 ZINC000029327137 212662856 /nfs/dbraw/zinc/66/28/56/212662856.db2.gz OMDGGTYCELVKRG-QMMMGPOBSA-N 0 0 338.314 0.741 10 0 ECAERN CS(=O)(=O)N1CCC[C@@H](C(=O)N2CCC3(CC2)OCCO3)C1 ZINC000000219442 209491679 /nfs/dbraw/zinc/49/16/79/209491679.db2.gz YSKNYAFXEGWVIX-GFCCVEGCSA-N 0 0 332.422 0.024 10 0 ECAERN O=C(NC1CN(C(=O)NCc2cccnc2-n2ccnc2)C1)C1CC1 ZINC000190188932 238283834 /nfs/dbraw/zinc/28/38/34/238283834.db2.gz IDXXXHFCWOMDGZ-UHFFFAOYSA-N 0 0 340.387 0.687 10 0 ECAERN Cc1ccn(CC(=O)N[C@@H]2CCCN(c3cccnn3)C2)c(=O)c1 ZINC000194721115 240686904 /nfs/dbraw/zinc/68/69/04/240686904.db2.gz OAQKRKVMXWLVFU-CQSZACIVSA-N 0 0 327.388 0.732 10 0 ECAERN Cc1noc(Cl)c1CCC(=O)NC[C@@H](O)CN1CCOCC1 ZINC000132886317 223370648 /nfs/dbraw/zinc/37/06/48/223370648.db2.gz QMWYRNDHSDLYMF-LLVKDONJSA-N 0 0 331.800 0.378 10 0 ECAERN O=C(Nc1ccc2scnc2c1)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000177628771 284346483 /nfs/dbraw/zinc/34/64/83/284346483.db2.gz RBDTYDFNGANKHZ-SNVBAGLBSA-N 0 0 342.384 0.958 10 0 ECAERN Cc1nc(CN2CCCN(C(=O)[C@H]3CCN(C)C(=O)C3)CC2)no1 ZINC000110945979 220082414 /nfs/dbraw/zinc/08/24/14/220082414.db2.gz LAIJKAOZSNDSAY-ZDUSSCGKSA-N 0 0 335.408 0.281 10 0 ECAERN Cc1ccc(C(=O)NCCNC(=O)NC[C@@H](C)N2CCOCC2)cc1 ZINC000111453077 220156412 /nfs/dbraw/zinc/15/64/12/220156412.db2.gz XWTQUYCDBGZFMW-OAHLLOKOSA-N 0 0 348.447 0.745 10 0 ECAERN O=C1CCCN1C[C@@H](O)CN1CCN(CCOc2ccccc2)CC1 ZINC000111682940 220179191 /nfs/dbraw/zinc/17/91/91/220179191.db2.gz MEAJDRQECCDEBV-KRWDZBQOSA-N 0 0 347.459 0.666 10 0 ECAERN COc1cc(CNC(=O)N2CCO[C@H](Cn3cccn3)C2)ccn1 ZINC000111811935 220194254 /nfs/dbraw/zinc/19/42/54/220194254.db2.gz NWINNHLMZAFFQP-AWEZNQCLSA-N 0 0 331.376 0.897 10 0 ECAERN COCCn1cc(NC(=O)N2CCO[C@H](Cn3cc(C)cn3)C2)cn1 ZINC000112104064 220242862 /nfs/dbraw/zinc/24/28/62/220242862.db2.gz DZKIJWLCVNMITB-HNNXBMFYSA-N 0 0 348.407 0.967 10 0 ECAERN COCCN1C[C@@H](C(=O)N(C)CCc2c(C)n[nH]c2C)CCC1=O ZINC000012613285 211423883 /nfs/dbraw/zinc/42/38/83/211423883.db2.gz PRWSCLKPQAOQBE-AWEZNQCLSA-N 0 0 336.436 0.912 10 0 ECAERN NC(=O)CN1CCC(C(=O)N2CCCC[C@H]2CCn2cccn2)CC1 ZINC000091625808 218034765 /nfs/dbraw/zinc/03/47/65/218034765.db2.gz SBBXFRFBYDAGSW-INIZCTEOSA-N 0 0 347.463 0.852 10 0 ECAERN Cc1nn(CC(F)(F)F)c(C)c1CC(=O)N1CCOC[C@H]1C(N)=O ZINC000091781279 218065061 /nfs/dbraw/zinc/06/50/61/218065061.db2.gz CLBHWLKDXVKQLO-NSHDSACASA-N 0 0 348.325 0.317 10 0 ECAERN CCc1nn(C)c(OC)c1CNC(=O)N[C@H]1CCCn2ncnc21 ZINC000093129735 218195721 /nfs/dbraw/zinc/19/57/21/218195721.db2.gz BUCIVJVIEGLTFD-LBPRGKRZSA-N 0 0 333.396 0.917 10 0 ECAERN CNC(=O)[C@H](NC(=O)C[C@@H](NC(N)=O)c1ccccc1C)C(C)C ZINC000178845330 207692994 /nfs/dbraw/zinc/69/29/94/207692994.db2.gz SFNHKTFMLGSXJM-UKRRQHHQSA-N 0 0 334.420 0.981 10 0 ECAERN CCN(CC)C(=O)[C@H]1CCCN1C(=O)NCc1cc(C(N)=O)co1 ZINC000188037577 207725439 /nfs/dbraw/zinc/72/54/39/207725439.db2.gz RLZMBLIFJOMLQX-CYBMUJFWSA-N 0 0 336.392 0.921 10 0 ECAERN C[C@H](CNC(=O)N1CCC(Nc2cccnn2)CC1)N1CCOCC1 ZINC000153468137 224108277 /nfs/dbraw/zinc/10/82/77/224108277.db2.gz QYJGFXYNVUWLQP-CQSZACIVSA-N 0 0 348.451 0.783 10 0 ECAERN O=C(CNC(=O)OCc1ccccc1)N[C@@H]1CCc2ncnn2C1 ZINC000112647078 220362307 /nfs/dbraw/zinc/36/23/07/220362307.db2.gz JQZSMLJAFLZAAK-CYBMUJFWSA-N 0 0 329.360 0.636 10 0 ECAERN O=C(CCNC(=O)OCC(F)(F)F)N[C@@H]1CCc2ncnn2C1 ZINC000112650250 220363819 /nfs/dbraw/zinc/36/38/19/220363819.db2.gz VPDMVICAGYVHKC-MRVPVSSYSA-N 0 0 335.286 0.388 10 0 ECAERN O=C(CCNC(=O)Cc1ccccc1)N[C@@H]1CCc2ncnn2C1 ZINC000112651398 220363851 /nfs/dbraw/zinc/36/38/51/220363851.db2.gz XOGAJQHSHZNLHG-CQSZACIVSA-N 0 0 327.388 0.458 10 0 ECAERN O=C(CCCNC(=O)c1ccsc1)N[C@H]1CCc2ncnn2C1 ZINC000112661371 220368014 /nfs/dbraw/zinc/36/80/14/220368014.db2.gz ZREMXGJEBGETLO-LBPRGKRZSA-N 0 0 333.417 0.981 10 0 ECAERN COc1cccc2c1OC[C@H](NC(=O)N[C@H]1CCc3ncnn3C1)C2 ZINC000112748617 220397337 /nfs/dbraw/zinc/39/73/37/220397337.db2.gz UNAKPKKYHFJRLA-QWHCGFSZSA-N 0 0 343.387 0.904 10 0 ECAERN CNC(=O)c1cccc(CNC(=O)N[C@H]2CCc3ncnn3C2)c1 ZINC000112744191 220393563 /nfs/dbraw/zinc/39/35/63/220393563.db2.gz ASHLPYPYFAQTLP-ZDUSSCGKSA-N 0 0 328.376 0.452 10 0 ECAERN O=C(CNC(=O)N[C@@H]1CCc2ncnn2C1)N1CCc2ccccc21 ZINC000112747807 220397624 /nfs/dbraw/zinc/39/76/24/220397624.db2.gz GGZMCYZVIFMKEX-CYBMUJFWSA-N 0 0 340.387 0.481 10 0 ECAERN COC(=O)[C@H](C)CS(=O)(=O)N1CCC[C@H](n2cc(C)cn2)C1 ZINC000151998504 533181125 /nfs/dbraw/zinc/18/11/25/533181125.db2.gz VDOBYMYPMANLJJ-OLZOCXBDSA-N 0 0 329.422 0.967 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)[C@H](C)NC(=O)c1ccoc1)CC2 ZINC000114867057 220770600 /nfs/dbraw/zinc/77/06/00/220770600.db2.gz PAVBMHQKMMKRHE-JQWIXIFHSA-N 0 0 331.376 0.683 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)c1ccc(C(=O)OC)cn1)CC2 ZINC000114872432 220772344 /nfs/dbraw/zinc/77/23/44/220772344.db2.gz SNVMVRJFXXXWKT-LLVKDONJSA-N 0 0 329.360 0.767 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)N[C@H]1CCN(C(C)C)C1=O)CC2 ZINC000114970213 220795627 /nfs/dbraw/zinc/79/56/27/220795627.db2.gz NVJPUPKJCONCMM-NEPJUHHUSA-N 0 0 334.424 0.464 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)C(=O)Nc1ccc(OC)cc1)CC2 ZINC000116765877 220987136 /nfs/dbraw/zinc/98/71/36/220987136.db2.gz MVTBCHZCTJVIKO-LBPRGKRZSA-N 0 0 343.387 0.919 10 0 ECAERN COCCN1CCN(C(=O)Cn2cnc3ccccc3c2=O)C[C@@H]1C ZINC000117294102 221047840 /nfs/dbraw/zinc/04/78/40/221047840.db2.gz ABMIOLOIAKAXFA-AWEZNQCLSA-N 0 0 344.415 0.576 10 0 ECAERN CC[C@@H]1CN(C(=O)[C@@H](C)NC(=O)c2ccco2)CCN1CCOC ZINC000117299863 221048880 /nfs/dbraw/zinc/04/88/80/221048880.db2.gz VZMPVARUUPIWIO-ZIAGYGMSSA-N 0 0 337.420 0.967 10 0 ECAERN CN(C)[C@@H](Cc1ccccc1)C(=O)Nc1ccn(CCC(N)=O)n1 ZINC000117702498 221083680 /nfs/dbraw/zinc/08/36/80/221083680.db2.gz FMTFZUFEHKYPID-AWEZNQCLSA-N 0 0 329.404 0.870 10 0 ECAERN Cc1cnn(CCNC(=O)Cc2c(C)nc3c(c(=O)[nH]n3C)c2C)c1 ZINC000117817368 221092906 /nfs/dbraw/zinc/09/29/06/221092906.db2.gz BWEVZEGMMNBZBQ-UHFFFAOYSA-N 0 0 342.403 0.742 10 0 ECAERN CN1CCO[C@H](CNC(=O)C(=O)Nc2cc(F)ccc2Cl)C1 ZINC000118115228 221120422 /nfs/dbraw/zinc/12/04/22/221120422.db2.gz HQWLNZKEKSWEPT-SNVBAGLBSA-N 0 0 329.759 0.864 10 0 ECAERN Cc1nnnn1[C@@H](Cc1ccccc1)C(=O)NC[C@H]1CN(C)CCO1 ZINC000118323370 221140050 /nfs/dbraw/zinc/14/00/50/221140050.db2.gz RFXXKHFMWLFGNI-HOTGVXAUSA-N 0 0 344.419 0.212 10 0 ECAERN COCCNC(=O)[C@H]1CN(Cc2scnc2C)Cc2cncn21 ZINC000248063540 257667584 /nfs/dbraw/zinc/66/75/84/257667584.db2.gz WLGYLHMJHGLXBM-CYBMUJFWSA-N 0 0 335.433 0.968 10 0 ECAERN CS(=O)(=O)N[C@H]1CCO[C@@]2(CCN(C(=O)C3CCOCC3)C2)C1 ZINC000247555772 257680850 /nfs/dbraw/zinc/68/08/50/257680850.db2.gz XGCNEJFGXGZNIO-ZFWWWQNUSA-N 0 0 346.449 0.112 10 0 ECAERN CC(C)OC[C@H](O)CN1CCC[C@H]1c1nc(C(=O)NC2CC2)no1 ZINC000328621161 258036073 /nfs/dbraw/zinc/03/60/73/258036073.db2.gz AIUTWKOHYVPFGL-OLZOCXBDSA-N 0 0 338.408 0.885 10 0 ECAERN CCCCn1nccc1NC(=O)C(=O)N1CCC[C@@H](NC(C)=O)C1 ZINC000151643355 296684092 /nfs/dbraw/zinc/68/40/92/296684092.db2.gz XZCJGBFRAVJMBN-CYBMUJFWSA-N 0 0 335.408 0.749 10 0 ECAERN CCCn1nccc1NC(=O)C(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000153153543 296691107 /nfs/dbraw/zinc/69/11/07/296691107.db2.gz LLZSATGUWJCJFE-GFCCVEGCSA-N 0 0 330.392 0.981 10 0 ECAERN CCCn1nccc1NC(=O)C(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000154043327 296694120 /nfs/dbraw/zinc/69/41/20/296694120.db2.gz FLVMYNFFVXYQBW-GFCCVEGCSA-N 0 0 331.380 0.687 10 0 ECAERN O=C(NCCCOCC1CCOCC1)N[C@@H]1CCc2ncnn2C1 ZINC000155356385 164772900 /nfs/dbraw/zinc/77/29/00/164772900.db2.gz MUACRZHPULVJKC-CQSZACIVSA-N 0 0 337.424 0.725 10 0 ECAERN Cc1noc(CCNC(=O)N[C@@H]2CCc3nc(C(C)C)nn3C2)n1 ZINC000158463709 164793796 /nfs/dbraw/zinc/79/37/96/164793796.db2.gz TVKQQVYXNRNGLS-LLVKDONJSA-N 0 0 333.396 0.950 10 0 ECAERN CCS(=O)(=O)CCNC(=O)N1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000170878019 164826595 /nfs/dbraw/zinc/82/65/95/164826595.db2.gz JQGBQUDXIURPOG-LBPRGKRZSA-N 0 0 344.437 0.777 10 0 ECAERN O=C(CNC(=O)c1ccccn1)N1CC[C@@H](Oc2cccnc2)C1 ZINC000178089751 164912205 /nfs/dbraw/zinc/91/22/05/164912205.db2.gz YENWNYLVDZINGB-CQSZACIVSA-N 0 0 326.356 0.886 10 0 ECAERN CNS(=O)(=O)CCNC(=O)N1CCC[C@H]1c1c(C)nn(C)c1C ZINC000188222734 164996048 /nfs/dbraw/zinc/99/60/48/164996048.db2.gz NUHFLYSKBCPCRB-LBPRGKRZSA-N 0 0 343.453 0.433 10 0 ECAERN O=C(NC1CN(C(=O)[C@H]2CC[C@@H](C(F)(F)F)NC2=O)C1)C1CCC1 ZINC000188480989 164997811 /nfs/dbraw/zinc/99/78/11/164997811.db2.gz PUDHBRZUPZQJPD-QWRGUYRKSA-N 0 0 347.337 0.571 10 0 ECAERN Cn1cnc(CNC(=O)[C@H]2C[C@H](F)CN2C(=O)OC(C)(C)C)n1 ZINC000188683250 165000098 /nfs/dbraw/zinc/00/00/98/165000098.db2.gz FWFLUNYZQHPWKR-VHSXEESVSA-N 0 0 327.360 0.779 10 0 ECAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188892269 165003364 /nfs/dbraw/zinc/00/33/64/165003364.db2.gz CDLIFFYJGAHGRR-CYBMUJFWSA-N 0 0 346.435 0.986 10 0 ECAERN C[C@@H]1C(=O)NCCCN1C(=O)Cc1nnc(-c2ccccc2)n1C ZINC000189230134 165007101 /nfs/dbraw/zinc/00/71/01/165007101.db2.gz MGVLJWIZSGUFLE-GFCCVEGCSA-N 0 0 327.388 0.762 10 0 ECAERN Cc1cc(C)c(N2CC[C@@H](NC(=O)[C@H]3CNC(=O)C3)C2=O)c(C)c1 ZINC000190559716 165022215 /nfs/dbraw/zinc/02/22/15/165022215.db2.gz HEQAGENOYLKQLG-ZIAGYGMSSA-N 0 0 329.400 0.969 10 0 ECAERN C[C@@H]1C(=O)NCCCN1C(=O)C(=O)Nc1cccc2cccnc21 ZINC000190668431 165023564 /nfs/dbraw/zinc/02/35/64/165023564.db2.gz QQHVTDBUSCPTLQ-LLVKDONJSA-N 0 0 326.356 0.910 10 0 ECAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CCO[C@H](CCc2ccccc2)C1 ZINC000192241638 165040268 /nfs/dbraw/zinc/04/02/68/165040268.db2.gz BDODGNVPLLFMSI-KZNAEPCWSA-N 0 0 346.427 0.828 10 0 ECAERN CC(C)c1csc(NC(=O)C(=O)NC[C@@H]2CN(C)CCO2)n1 ZINC000192969745 165050930 /nfs/dbraw/zinc/05/09/30/165050930.db2.gz BGNZJVWKEXWOQO-SNVBAGLBSA-N 0 0 326.422 0.652 10 0 ECAERN O=C(NC1CCN(C(=O)c2ccccc2F)CC1)[C@H]1CNC(=O)C1 ZINC000194870441 165071942 /nfs/dbraw/zinc/07/19/42/165071942.db2.gz NMAAVLLFJKQYSN-LLVKDONJSA-N 0 0 333.363 0.683 10 0 ECAERN Cn1c(CN2CCCN(CC(=O)N3CCCC3)CC2)nnc1C1CC1 ZINC000195058163 165073526 /nfs/dbraw/zinc/07/35/26/165073526.db2.gz YXTXLWLRIXYGPK-UHFFFAOYSA-N 0 0 346.479 0.823 10 0 ECAERN COc1ccc(-c2nnn(Cc3nnnn3C(C)C)n2)cc1OC ZINC000195516612 165083193 /nfs/dbraw/zinc/08/31/93/165083193.db2.gz XYWPTMVGCIKYOI-UHFFFAOYSA-N 0 0 330.352 0.973 10 0 ECAERN CCCNC(=O)CN(C)C(=O)CN1CC[C@@H](CNc2ccccn2)C1 ZINC000195515818 165083225 /nfs/dbraw/zinc/08/32/25/165083225.db2.gz ZOGJTWKJTFFZGL-HNNXBMFYSA-N 0 0 347.463 0.800 10 0 ECAERN C[C@H](NC(=O)CN1CCOC[C@H]1C(N)=O)c1ccc(Cl)cc1 ZINC000245704002 165114266 /nfs/dbraw/zinc/11/42/66/165114266.db2.gz BSQYLWRYYFOSHH-GWCFXTLKSA-N 0 0 325.796 0.703 10 0 ECAERN C[C@H](C(=O)NC1CC1)N1CCN(C(=O)N[C@@H](C)[C@H]2CCCO2)CC1 ZINC000246113041 165123382 /nfs/dbraw/zinc/12/33/82/165123382.db2.gz JRXPALSSBCRTSJ-GZBFAFLISA-N 0 0 338.452 0.548 10 0 ECAERN C[C@H](OC[C@H](O)CN1CCOC[C@H]1C(N)=O)c1ccc(Cl)cc1 ZINC000247263323 165157279 /nfs/dbraw/zinc/15/72/79/165157279.db2.gz XSZATHOFIHXJBE-GLQYFDAESA-N 0 0 342.823 0.965 10 0 ECAERN CNC(=O)c1ccc(S(=O)(=O)N2CCN3CCCC[C@H]3C2)cc1 ZINC000249745110 165203571 /nfs/dbraw/zinc/20/35/71/165203571.db2.gz BOSLXVUZVBNOCY-AWEZNQCLSA-N 0 0 337.445 0.905 10 0 ECAERN CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000261597735 165212115 /nfs/dbraw/zinc/21/21/15/165212115.db2.gz AHUYERQXWIEATP-FSZRXZPDSA-N 0 0 337.464 0.452 10 0 ECAERN C[C@H]1OCCN[C@@H]1C(=O)N[C@@H]1CC(=O)N([C@H]2C[C@H]2c2ccccc2)C1 ZINC000261878816 165257848 /nfs/dbraw/zinc/25/78/48/165257848.db2.gz FCHCCXHBENFSHN-DXFIHEEPSA-N 0 0 343.427 0.637 10 0 ECAERN NCc1nc(CN2CCN(C(=O)c3ccc(F)cc3F)CC2)no1 ZINC000262269862 165320080 /nfs/dbraw/zinc/32/00/80/165320080.db2.gz SGPWJSNOXFYDDK-UHFFFAOYSA-N 0 0 337.330 0.765 10 0 ECAERN COC[C@@H]([NH3+])C(=O)NCCC(=O)Nc1cc(Cl)ccc1OC ZINC000262336181 165330563 /nfs/dbraw/zinc/33/05/63/165330563.db2.gz SEWWMEMBHHFXTC-SNVBAGLBSA-N 0 0 329.784 0.767 10 0 ECAERN CCc1noc([C@H](C)N2CCN(C(=O)[C@H]3NCCO[C@@H]3C)CC2)n1 ZINC000262376864 165340945 /nfs/dbraw/zinc/34/09/45/165340945.db2.gz WRAWHAZGUMEUEX-SCRDCRAPSA-N 0 0 337.424 0.214 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)CCNC(=O)C(C)(C)C)C1 ZINC000262701705 165376619 /nfs/dbraw/zinc/37/66/19/165376619.db2.gz IHRXHLMFTSUXLC-UHFFFAOYSA-N 0 0 327.425 0.593 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)c2cccc(-n3cncn3)c2)C1 ZINC000262711870 165376751 /nfs/dbraw/zinc/37/67/51/165376751.db2.gz LWHUALALOVKNJJ-UHFFFAOYSA-N 0 0 343.387 0.935 10 0 ECAERN C[N@@H+](CC(=O)[O-])C[C@H]1CN(C(=O)c2cc(-c3ccco3)n[nH]2)CCO1 ZINC000262898002 165399192 /nfs/dbraw/zinc/39/91/92/165399192.db2.gz HRLBEYVVKOOCKK-NSHDSACASA-N 0 0 348.359 0.527 10 0 ECAERN CCc1cc(=O)n2nc(NCC3(CS(C)(=O)=O)CC3)sc2n1 ZINC000301474696 296887399 /nfs/dbraw/zinc/88/73/99/296887399.db2.gz AFWZENUOXUSIFW-UHFFFAOYSA-N 0 0 342.446 0.950 10 0 ECAERN O=C(CCc1nc(-c2ccoc2)no1)N[C@@H]1CCc2ncnn2C1 ZINC000122290145 222054064 /nfs/dbraw/zinc/05/40/64/222054064.db2.gz GZPPTYPTKUTPGW-LLVKDONJSA-N 0 0 328.332 0.985 10 0 ECAERN CC(C)NC(=O)CNC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 ZINC000123929798 222352483 /nfs/dbraw/zinc/35/24/83/222352483.db2.gz RPIKFGXQJGPYEJ-XJKSGUPXSA-N 0 0 335.379 0.986 10 0 ECAERN C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCc1ccnn1C ZINC000124172966 222386139 /nfs/dbraw/zinc/38/61/39/222386139.db2.gz NEJNTCMPAGTHLJ-SNVBAGLBSA-N 0 0 347.400 0.164 10 0 ECAERN CCCNC(=O)CNC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 ZINC000124363463 222417686 /nfs/dbraw/zinc/41/76/86/222417686.db2.gz XHYOEBFTWSYSEV-XJKSGUPXSA-N 0 0 335.379 0.988 10 0 ECAERN CC(=O)NC1CN(C(=O)N[C@H](C)c2ccc(-n3cncn3)cc2)C1 ZINC000189730612 263163329 /nfs/dbraw/zinc/16/33/29/263163329.db2.gz WXQMCKIZDIBDJQ-LLVKDONJSA-N 0 0 328.376 0.858 10 0 ECAERN CCC(CC)[C@@H](CNC(=O)N1CC(NC(C)=O)C1)N1CCOCC1 ZINC000189757539 263163558 /nfs/dbraw/zinc/16/35/58/263163558.db2.gz GFQPTZBGCAHNQY-MRXNPFEDSA-N 0 0 340.468 0.653 10 0 ECAERN CN1CCN(C(=O)CCNC(=O)N[C@@H]2COc3ccccc32)CC1 ZINC000195197727 263170734 /nfs/dbraw/zinc/17/07/34/263170734.db2.gz MWUZJWBMKGXILT-CQSZACIVSA-N 0 0 332.404 0.583 10 0 ECAERN C[C@H](NC(=O)Nc1ccccc1)C(=O)N1CCN(CCO)[C@@H](C)C1 ZINC000250122745 263176680 /nfs/dbraw/zinc/17/66/80/263176680.db2.gz VPOCDQOOJIGQPS-KBPBESRZSA-N 0 0 334.420 0.722 10 0 ECAERN O=C(Cc1ccc(-n2cccn2)cc1)N1CC[C@@](O)(c2cn[nH]n2)C1 ZINC000284510482 264222036 /nfs/dbraw/zinc/22/20/36/264222036.db2.gz CXRKQCHISVHWJS-KRWDZBQOSA-N 0 0 338.371 0.653 10 0 ECAERN O=C(c1ccn(-c2ccc(F)cc2)n1)N1CC[C@](O)(c2cn[nH]n2)C1 ZINC000284570281 264229172 /nfs/dbraw/zinc/22/91/72/264229172.db2.gz HYBNYUXTTDDZEA-MRXNPFEDSA-N 0 0 342.334 0.863 10 0 ECAERN NC(=O)[C@@]1(O)CCCN(C(=O)c2ccccc2Br)C1 ZINC000284823022 264241894 /nfs/dbraw/zinc/24/18/94/264241894.db2.gz CAALIBHDVLCOBB-CYBMUJFWSA-N 0 0 327.178 0.902 10 0 ECAERN Cn1c(=O)c2c(Cl)c(C=O)c(=O)n(-c3ccccc3)c2n(C)c1=O ZINC000000160316 274885855 /nfs/dbraw/zinc/88/58/55/274885855.db2.gz KKWLJZVIKAJWGM-UHFFFAOYSA-N 0 0 345.742 0.854 10 0 ECAERN O=C1C[C@H](N2CC[C@@H](N3CCOCC3)C2)C(=O)N1Cc1ccccc1 ZINC000247215023 275020377 /nfs/dbraw/zinc/02/03/77/275020377.db2.gz VQEYINDDTQVJQH-SJORKVTESA-N 0 0 343.427 0.721 10 0 ECAERN CC(C)[C@@H](C(=O)N1CC(NC(=O)C2CC2)C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000189449303 437599070 /nfs/dbraw/zinc/59/90/70/437599070.db2.gz NNQCJJYTKAPNFO-ZENOOKHLSA-N 0 0 337.464 0.857 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)C(=O)Nc2ccc(C)cc2F)CC1 ZINC000189454464 437599122 /nfs/dbraw/zinc/59/91/22/437599122.db2.gz URMDJJBCRZWZJF-CYBMUJFWSA-N 0 0 337.395 0.988 10 0 ECAERN CC(=O)NCCN(C(=O)[C@H](C)[N@H+](C)Cc1ccccc1)[C@H](C)C(=O)[O-] ZINC000262235586 278106599 /nfs/dbraw/zinc/10/65/99/278106599.db2.gz NVDILSVYQDQGNI-UONOGXRCSA-N 0 0 349.431 0.945 10 0 ECAERN CC(=O)N[C@@H](CC(C)C)C(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000183147839 278138471 /nfs/dbraw/zinc/13/84/71/278138471.db2.gz CPUKQSFBMYSGES-KBMXLJTQSA-N 0 0 325.453 0.716 10 0 ECAERN O=C(NC1CN(C(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)C1)C1CC1 ZINC000189478841 437602379 /nfs/dbraw/zinc/60/23/79/437602379.db2.gz CSXSRCHPJTWUFG-GFCCVEGCSA-N 0 0 331.372 0.365 10 0 ECAERN Cc1ccc2c(c1)c(=O)n(C)c1nnc(CSC[C@@H](O)CO)n12 ZINC000177408883 281130233 /nfs/dbraw/zinc/13/02/33/281130233.db2.gz BGKJXSIJDRZWKL-JTQLQIEISA-N 0 0 334.401 0.476 10 0 ECAERN CN1C(=O)C[C@H](C(=O)N2CC[C@H](C(N)=O)C2)[C@@H]1c1ccc(F)cc1 ZINC000130144099 289833097 /nfs/dbraw/zinc/83/30/97/289833097.db2.gz LXEXZABQQRZFLT-WHOFXGATSA-N 0 0 333.363 0.679 10 0 ECAERN CN1CC[C@H](NC(=O)[C@H]2CCC(=O)N(C)[C@H]2c2ccccc2)C1=O ZINC000246600578 290211485 /nfs/dbraw/zinc/21/14/85/290211485.db2.gz ANVFKNWSLKQMLW-DZKIICNBSA-N 0 0 329.400 0.943 10 0 ECAERN Cc1nccn1C[C@H]1CCCN1C(=O)CN1C(=O)NC(C)(C)C1=O ZINC000177213508 293656312 /nfs/dbraw/zinc/65/63/12/293656312.db2.gz XAINLJYBKDJDTN-GFCCVEGCSA-N 0 0 333.392 0.513 10 0 ECAERN Cc1cccc2nc(CN3CCC[C@]4(C3)NC(=O)NC4=O)cc(=O)n12 ZINC000333150010 297114124 /nfs/dbraw/zinc/11/41/24/297114124.db2.gz LQKWWNUTSCCFMD-QGZVFWFLSA-N 0 0 341.371 0.177 10 0 ECAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)NCC1CC[NH+](CCO)CC1 ZINC000333231842 297120060 /nfs/dbraw/zinc/12/00/60/297120060.db2.gz GTACVHJEIHPLGV-CQSZACIVSA-N 0 0 336.440 0.425 10 0 ECAERN O=C(NCCC1(O)CCC1)N1CCS(=O)(=O)C[C@@H]1C1CCC1 ZINC000333919042 297155583 /nfs/dbraw/zinc/15/55/83/297155583.db2.gz OSGJLEZERDNNAI-CYBMUJFWSA-N 0 0 330.450 0.900 10 0 ECAERN COC[C@@H]1C[C@H](OC)CN1Cc1nnnn1CC1CCOCC1 ZINC000344379298 298012330 /nfs/dbraw/zinc/01/23/30/298012330.db2.gz GMGWRSTWTXEXDL-KBPBESRZSA-N 0 0 325.413 0.335 10 0 ECAERN CO[C@H]1C[C@@H](C(=O)NCc2nnc(COc3ccccc3)[n-]2)[N@H+](C)C1 ZINC000346406179 298275085 /nfs/dbraw/zinc/27/50/85/298275085.db2.gz ZUOXLEHAWBJOAC-KBPBESRZSA-N 0 0 345.403 0.719 10 0 ECAERN CC(=O)N1CCC[C@@](O)(C(=O)N2CCOc3cccc(F)c3C2)C1 ZINC000347919151 298534887 /nfs/dbraw/zinc/53/48/87/298534887.db2.gz IYLKHBMGUWSMGW-KRWDZBQOSA-N 0 0 336.363 0.920 10 0 ECAERN C/C=C\C[C@H](CO)NC(=O)N[C@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000353247945 299027354 /nfs/dbraw/zinc/02/73/54/299027354.db2.gz JFYTZLLTRNOTOJ-VSVUCHCSSA-N 0 0 349.435 0.850 10 0 ECAERN CNC(=O)[C@H]1CCCN(C(=O)N[C@@H]2CCCC[C@H]2S(C)(=O)=O)C1 ZINC000366472120 300552319 /nfs/dbraw/zinc/55/23/19/300552319.db2.gz ZBEDYBNOFDBCBT-YNEHKIRRSA-N 0 0 345.465 0.510 10 0 ECAERN C[C@H](NC(=O)C(=O)Nc1cccnc1-n1cccn1)[C@@H]1CCCO1 ZINC000071066282 436001870 /nfs/dbraw/zinc/00/18/70/436001870.db2.gz VYZDMVCQZATZNZ-AAEUAGOBSA-N 0 0 329.360 0.890 10 0 ECAERN CCCn1c(=O)c2c(ncn2CCC[C@@H](O)[C@H](C)O)n(CC)c1=O ZINC000013887178 436065873 /nfs/dbraw/zinc/06/58/73/436065873.db2.gz QWFXGJOMPNQZNP-NWDGAFQWSA-N 0 0 338.408 0.312 10 0 ECAERN C[C@@H](Oc1ccc2c(c1)OCO2)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000015332048 436079914 /nfs/dbraw/zinc/07/99/14/436079914.db2.gz OALASPPSBQGVAO-NXEZZACHSA-N 0 0 327.358 0.486 10 0 ECAERN CN(C)S(=O)(=O)c1ccc(C(=O)NC[C@H]2CC(=O)N(C)C2)cc1 ZINC000074863035 436143076 /nfs/dbraw/zinc/14/30/76/436143076.db2.gz ZRFKHDDDHRVLDB-LLVKDONJSA-N 0 0 339.417 0.145 10 0 ECAERN O=C(CN1CCc2ccccc2C1=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000375742766 301205001 /nfs/dbraw/zinc/20/50/01/301205001.db2.gz JAERUILXCZANEX-MRXNPFEDSA-N 0 0 343.427 0.618 10 0 ECAERN C[C@H](CNC(=O)C(=O)Nc1ccc(Cl)nc1)N1CCOCC1 ZINC000077697217 436246826 /nfs/dbraw/zinc/24/68/26/436246826.db2.gz ZLVMHFMBUQIGPP-SNVBAGLBSA-N 0 0 326.784 0.510 10 0 ECAERN C[C@H](CNC(=O)CNC(=O)c1cc2ccccc2[nH]1)N1CCOCC1 ZINC000079506310 436297523 /nfs/dbraw/zinc/29/75/23/436297523.db2.gz KSLLTDTUKUODSB-CYBMUJFWSA-N 0 0 344.415 0.735 10 0 ECAERN Cn1cc(S(=O)(=O)N[C@@H]2CCOc3ccccc32)cc1C(N)=O ZINC000044770081 436347499 /nfs/dbraw/zinc/34/74/99/436347499.db2.gz RSYGZTDKNGZBJH-GFCCVEGCSA-N 0 0 335.385 0.926 10 0 ECAERN Cc1cc(S(=O)(=O)N2CC[C@@]3(C2)NC(=O)NC3=O)c(C)s1 ZINC000084796565 436385670 /nfs/dbraw/zinc/38/56/70/436385670.db2.gz WXSINPFMVNDZFK-LBPRGKRZSA-N 0 0 329.403 0.338 10 0 ECAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)N[C@H](C)CN1CCOCC1 ZINC000087037635 436395504 /nfs/dbraw/zinc/39/55/04/436395504.db2.gz CSOZDFTYCLTZNN-CHWSQXEVSA-N 0 0 336.440 0.695 10 0 ECAERN Cc1ccc([C@H](C)NC(=O)CNS(=O)(=O)c2cn(C)cn2)o1 ZINC000088577680 436402757 /nfs/dbraw/zinc/40/27/57/436402757.db2.gz YGJLOFMSRYPQOR-JTQLQIEISA-N 0 0 326.378 0.477 10 0 ECAERN CCS(=O)(=O)N[C@H](CCSC)C(=O)NC[C@@H]1CCC[C@@H]1O ZINC000089161196 436405617 /nfs/dbraw/zinc/40/56/17/436405617.db2.gz KVWOWXKTRYPFRK-TUAOUCFPSA-N 0 0 338.495 0.325 10 0 ECAERN CCc1nnc(CS(=O)(=O)[C@@H](C)C(=O)NCCC(C)C)n1C ZINC000091049654 436439663 /nfs/dbraw/zinc/43/96/63/436439663.db2.gz TXMSKJBOWUVCBN-NSHDSACASA-N 0 0 330.454 0.843 10 0 ECAERN C[C@H](CNC(=O)NCc1cccnc1-n1cccn1)N1CCOCC1 ZINC000048996608 436463452 /nfs/dbraw/zinc/46/34/52/436463452.db2.gz WJFUXUUFHXLGEO-CQSZACIVSA-N 0 0 344.419 0.787 10 0 ECAERN Cn1cc(Br)cc1C(=O)N1CC[C@]2(C1)NC(=O)NC2=O ZINC000089750176 436416428 /nfs/dbraw/zinc/41/64/28/436416428.db2.gz DLPADJIZPJAJKQ-GFCCVEGCSA-N 0 0 341.165 0.212 10 0 ECAERN CNC(=O)COC(=O)CN1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000095971455 436501768 /nfs/dbraw/zinc/50/17/68/436501768.db2.gz OCNUDLJITQVSDZ-UHFFFAOYSA-N 0 0 329.397 0.265 10 0 ECAERN CCNC(=O)NC(=O)[C@@H](C)N1CCCN(c2ccc(C)nn2)CC1 ZINC000105800675 436578434 /nfs/dbraw/zinc/57/84/34/436578434.db2.gz IORCXRVNGGEGON-CYBMUJFWSA-N 0 0 334.424 0.531 10 0 ECAERN C[C@H](C(=O)NC1CC1)N1CCN(C[C@@H](O)COC(C)(C)C)CC1 ZINC000054994741 436563319 /nfs/dbraw/zinc/56/33/19/436563319.db2.gz RBTZFYDONUCMPB-UKRRQHHQSA-N 0 0 327.469 0.447 10 0 ECAERN C[C@@H](C(=O)NC1CC1)N1CCN(C[C@H](O)COC(C)(C)C)CC1 ZINC000054994738 436563535 /nfs/dbraw/zinc/56/35/35/436563535.db2.gz RBTZFYDONUCMPB-ZFWWWQNUSA-N 0 0 327.469 0.447 10 0 ECAERN Cc1nccn1-c1ccc(CNC(=O)NC[C@@H]2CN(C)CCO2)cn1 ZINC000104788293 436563826 /nfs/dbraw/zinc/56/38/26/436563826.db2.gz GREWFLUDVRGGHD-OAHLLOKOSA-N 0 0 344.419 0.706 10 0 ECAERN CCC[C@@H](C)NC(=O)[C@@H](C)N1CCN(c2ccc3nncn3n2)CC1 ZINC000105817081 436579867 /nfs/dbraw/zinc/57/98/67/436579867.db2.gz OTKIDUSLTMBGGK-ZIAGYGMSSA-N 0 0 345.451 0.940 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)CNC(=O)c2ccc(C)c(C)c2)CC1 ZINC000106403295 436594748 /nfs/dbraw/zinc/59/47/48/436594748.db2.gz WPCWSYFNBVGLIT-KRWDZBQOSA-N 0 0 347.459 0.948 10 0 ECAERN C[C@@H](CNC(=O)N1CCO[C@H](Cn2cccn2)C1)Cn1cccn1 ZINC000111837231 436632786 /nfs/dbraw/zinc/63/27/86/436632786.db2.gz RVKJSJHHCBXDHM-GJZGRUSLSA-N 0 0 332.408 0.826 10 0 ECAERN CN1CCO[C@H](CNCc2nnc3n2c2ccccc2c(=O)n3C)C1 ZINC000112548523 436633457 /nfs/dbraw/zinc/63/34/57/436633457.db2.gz OMXGJBHDKZPADT-GFCCVEGCSA-N 0 0 342.403 0.001 10 0 ECAERN C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CNS(=O)(=O)c1cccs1 ZINC000113229001 436636431 /nfs/dbraw/zinc/63/64/31/436636431.db2.gz PAEWVVOYLBVKCX-VXGBXAGGSA-N 0 0 343.474 0.722 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)NCCCN1CCCC1=O)CC2 ZINC000114908031 436644338 /nfs/dbraw/zinc/64/43/38/436644338.db2.gz HMKIVGSFQJMQTH-GFCCVEGCSA-N 0 0 334.424 0.467 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)CCS(=O)(=O)CC(C)C)CC2 ZINC000114871270 436644424 /nfs/dbraw/zinc/64/44/24/436644424.db2.gz DKJIYGIXSSKUBV-LBPRGKRZSA-N 0 0 342.465 0.732 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)CNC(=O)Cc1ccccc1)CC2 ZINC000114867657 436644717 /nfs/dbraw/zinc/64/47/17/436644717.db2.gz XUDPJDNHMMOGBX-AWEZNQCLSA-N 0 0 341.415 0.630 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)N[C@H](C)CN1CCOCC1)CC2 ZINC000114928252 436645078 /nfs/dbraw/zinc/64/50/78/436645078.db2.gz UADWCKZSJFAPST-CHWSQXEVSA-N 0 0 336.440 0.175 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)N(CCOC)CCOC)CC2 ZINC000114978323 436645706 /nfs/dbraw/zinc/64/57/06/436645706.db2.gz ZAKJVGQMNDCQOF-LBPRGKRZSA-N 0 0 325.413 0.460 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)N[C@H]1CCc3nc(C)nn3C1)CC2 ZINC000114955179 436645831 /nfs/dbraw/zinc/64/58/31/436645831.db2.gz BYEPJKYNNUZNBY-NWDGAFQWSA-N 0 0 344.423 0.369 10 0 ECAERN Cn1cc([C@@H]2CCN(S(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)C2)cn1 ZINC000116371516 436650096 /nfs/dbraw/zinc/65/00/96/436650096.db2.gz FXKFVAUPLFSROO-SNVBAGLBSA-N 0 0 347.400 0.768 10 0 ECAERN CNC(=O)c1ccc(S(=O)(=O)N2CC[C@@H](c3cnn(C)c3)C2)cc1 ZINC000116371541 436649646 /nfs/dbraw/zinc/64/96/46/436649646.db2.gz LFIDWYFCMCJFOV-CYBMUJFWSA-N 0 0 348.428 0.958 10 0 ECAERN CCS(=O)(=O)NCCCNC(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000116429453 436649948 /nfs/dbraw/zinc/64/99/48/436649948.db2.gz GXXMMUJBLMSZQV-LBPRGKRZSA-N 0 0 343.453 0.248 10 0 ECAERN CCCS(=O)(=O)N1CCC(n2c(=O)n(C)c3cncnc32)CC1 ZINC000065256868 436654718 /nfs/dbraw/zinc/65/47/18/436654718.db2.gz CUDSPNASXWMJFU-UHFFFAOYSA-N 0 0 339.421 0.507 10 0 ECAERN CCc1nc(C2(NS(=O)(=O)[C@H](C)C(=O)N(C)C)CCCC2)no1 ZINC000193994274 436656033 /nfs/dbraw/zinc/65/60/33/436656033.db2.gz ZINRDKMEWRQAPI-SNVBAGLBSA-N 0 0 344.437 0.797 10 0 ECAERN CCc1nc(C2(NS(=O)(=O)[C@@H](C)C(=O)N(C)C)CCCC2)no1 ZINC000193994263 436656400 /nfs/dbraw/zinc/65/64/00/436656400.db2.gz ZINRDKMEWRQAPI-JTQLQIEISA-N 0 0 344.437 0.797 10 0 ECAERN CCc1nnc([C@@H]2CN(C(=O)COc3c(C)nn(C)c3C)CCO2)[nH]1 ZINC000150997580 436693455 /nfs/dbraw/zinc/69/34/55/436693455.db2.gz LVBSFJNNSDZBTH-LBPRGKRZSA-N 0 0 348.407 0.696 10 0 ECAERN O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)N[C@H]1CCCC[C@H]1CO ZINC000151142452 436696660 /nfs/dbraw/zinc/69/66/60/436696660.db2.gz IXLUHZYQVQWFJK-JSGCOSHPSA-N 0 0 345.399 0.747 10 0 ECAERN CCOc1ccnc(N2CCN(C[C@@H](C)CS(C)(=O)=O)CC2)n1 ZINC000118998741 436663832 /nfs/dbraw/zinc/66/38/32/436663832.db2.gz HHKUQZOUFLBPEI-CYBMUJFWSA-N 0 0 342.465 0.678 10 0 ECAERN COc1cccc(NC(=O)N2CC(=O)C[C@H]2C(=O)N2CC(O)C2)c1 ZINC000139610177 436666634 /nfs/dbraw/zinc/66/66/34/436666634.db2.gz KJCBVQZCQZYQMB-AWEZNQCLSA-N 0 0 333.344 0.074 10 0 ECAERN CCCCOC[C@@H](O)CN1CCc2cc(S(N)(=O)=O)ccc21 ZINC000195184917 436681931 /nfs/dbraw/zinc/68/19/31/436681931.db2.gz VIEFTQCQADFIRE-ZDUSSCGKSA-N 0 0 328.434 0.874 10 0 ECAERN COc1ccsc1S(=O)(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000121917489 436727316 /nfs/dbraw/zinc/72/73/16/436727316.db2.gz KAIMYXJXQQGCSS-LLVKDONJSA-N 0 0 332.447 0.852 10 0 ECAERN C[C@H](NC(=O)N1CC(=O)N[C@H]2CCCC[C@@H]21)C(=O)N1CCCCC1 ZINC000152660584 436736675 /nfs/dbraw/zinc/73/66/75/436736675.db2.gz JIZFVERCYYMSNT-IHRRRGAJSA-N 0 0 336.436 0.840 10 0 ECAERN COCCOc1cccc(CC(=O)N[C@@H]2CCc3ncnn3C2)c1 ZINC000123219966 436739857 /nfs/dbraw/zinc/73/98/57/436739857.db2.gz GQOPJKYHJLEHRY-CQSZACIVSA-N 0 0 330.388 0.977 10 0 ECAERN COCCN1C[C@H](C(=O)N2CCC(c3ccnn3C)CC2)CC1=O ZINC000124522335 436751696 /nfs/dbraw/zinc/75/16/96/436751696.db2.gz YJBBGKWPPCRAMD-CQSZACIVSA-N 0 0 334.420 0.621 10 0 ECAERN C[C@H](NC(=O)C(=O)Nc1ccc(Cn2cncn2)cc1)[C@H]1CCCO1 ZINC000124528181 436751952 /nfs/dbraw/zinc/75/19/52/436751952.db2.gz DZBNSKJEIPGVGW-SWLSCSKDSA-N 0 0 343.387 0.949 10 0 ECAERN COc1c(CNC(=O)N2CC(=O)N[C@@H]3CCCC[C@H]32)c(C)nn1C ZINC000153763907 436761573 /nfs/dbraw/zinc/76/15/73/436761573.db2.gz LMQXXAIAHAMLRL-CHWSQXEVSA-N 0 0 335.408 0.690 10 0 ECAERN CC(C)[C@H]1C(=O)NCCN1C(=O)N[C@H](C)c1nnc2n1CCCC2 ZINC000121386061 436716077 /nfs/dbraw/zinc/71/60/77/436716077.db2.gz PMUIBKGNXDOIEJ-YPMHNXCESA-N 0 0 334.424 0.841 10 0 ECAERN CN1CCN(S(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)CC1=O ZINC000121526965 436716822 /nfs/dbraw/zinc/71/68/22/436716822.db2.gz HSCFWFVNYFTTNP-NHYWBVRUSA-N 0 0 328.434 0.486 10 0 ECAERN CC(C)N(CCS(C)(=O)=O)C(=O)[C@@H](C)NC(=O)c1ccco1 ZINC000156917814 436822683 /nfs/dbraw/zinc/82/26/83/436822683.db2.gz JJCFOIOWNDBGSS-LLVKDONJSA-N 0 0 330.406 0.680 10 0 ECAERN CCOCCN1CCN(S(=O)(=O)[C@@H]2CCO[C@H]2C)C[C@@H]1CC ZINC000248951961 436814045 /nfs/dbraw/zinc/81/40/45/436814045.db2.gz PSXJSZOFOGJFJE-SOUVJXGZSA-N 0 0 334.482 0.926 10 0 ECAERN CCCn1nccc1NC(=O)C(=O)N1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000246375196 436779784 /nfs/dbraw/zinc/77/97/84/436779784.db2.gz HVXQTMBYLFBXQW-STQMWFEESA-N 0 0 337.424 0.145 10 0 ECAERN CCc1cc(NC(=O)C(=O)N2CC[C@H](c3cnn(C)c3)C2)n(C)n1 ZINC000126100323 436782488 /nfs/dbraw/zinc/78/24/88/436782488.db2.gz OQWIYKYVMRJTNE-NSHDSACASA-N 0 0 330.392 0.671 10 0 ECAERN Cc1ccc(NC(=O)C(=O)N2CCN(C[C@H](C)O)[C@@H](C)C2)c(F)c1 ZINC000246964675 436787640 /nfs/dbraw/zinc/78/76/40/436787640.db2.gz IVJSASDSPABCAQ-STQMWFEESA-N 0 0 337.395 0.986 10 0 ECAERN C[C@H](O)CN1CCN(C(=O)C(=O)Nc2cc(F)cc(F)c2)C[C@H]1C ZINC000246892072 436787677 /nfs/dbraw/zinc/78/76/77/436787677.db2.gz FEYHDHAKIWDJQK-MNOVXSKESA-N 0 0 341.358 0.817 10 0 ECAERN COCCN1CCN(C(=O)N[C@H](C)CN2CCCC2=O)C[C@@H]1C ZINC000247117956 436790626 /nfs/dbraw/zinc/79/06/26/436790626.db2.gz NUXBXGSAJQVTPV-KGLIPLIRSA-N 0 0 326.441 0.359 10 0 ECAERN Cc1cc(NC(=O)C(=O)NC[C@@H](C)N2CCOCC2)cnc1Cl ZINC000126657145 436790771 /nfs/dbraw/zinc/79/07/71/436790771.db2.gz SGQZFIURYSULCI-LLVKDONJSA-N 0 0 340.811 0.819 10 0 ECAERN Cc1nc2nc(N)nn2c(C)c1CCC(=O)NC[C@H]1CCCC[C@@H]1O ZINC000155461290 436796568 /nfs/dbraw/zinc/79/65/68/436796568.db2.gz RXBBUHRWODDVSC-OCCSQVGLSA-N 0 0 346.435 0.923 10 0 ECAERN CC(C)(C)OC[C@H](O)CN1CCC(N2CCS(=O)(=O)CC2)CC1 ZINC000155913649 436805002 /nfs/dbraw/zinc/80/50/02/436805002.db2.gz PEPAKFBTCXKPKR-OAHLLOKOSA-N 0 0 348.509 0.357 10 0 ECAERN CCc1onc(C)c1NC(=O)C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000131316614 436850265 /nfs/dbraw/zinc/85/02/65/436850265.db2.gz FCXKWCYCXMJJAA-GFCCVEGCSA-N 0 0 336.392 0.417 10 0 ECAERN CC(C)[C@@H](O)CC(=O)N1CCN(CC(=O)NC2CCCCC2)CC1 ZINC000158947427 436851479 /nfs/dbraw/zinc/85/14/79/436851479.db2.gz OVRNFDVTVXTGJV-INIZCTEOSA-N 0 0 339.480 0.987 10 0 ECAERN Cn1ncc(C(=O)NC[C@H]2CCC[C@@H]2O)c1I ZINC000293283531 436862090 /nfs/dbraw/zinc/86/20/90/436862090.db2.gz IGICSGZULWIDAA-APPZFPTMSA-N 0 0 349.172 0.916 10 0 ECAERN COc1ccc(F)cc1NC(=O)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000129179225 436823589 /nfs/dbraw/zinc/82/35/89/436823589.db2.gz GQJWTWGCNNJGQT-JTQLQIEISA-N 0 0 333.323 0.496 10 0 ECAERN CC(C)n1nnnc1CS(=O)(=O)[C@@H](C)C(=O)N1CCCCC1 ZINC000157560561 436830267 /nfs/dbraw/zinc/83/02/67/436830267.db2.gz LTUKGHGXCKMJRZ-NSHDSACASA-N 0 0 329.426 0.570 10 0 ECAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1nnc2n1CCCC2 ZINC000162793133 436912964 /nfs/dbraw/zinc/91/29/64/436912964.db2.gz IJGWCYLVQOFLDT-LLVKDONJSA-N 0 0 341.437 0.757 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)C1 ZINC000263462117 436967151 /nfs/dbraw/zinc/96/71/51/436967151.db2.gz IZAFSCHHSHRXBP-IDQHFDBOSA-N 0 0 347.415 0.881 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NS(=O)(=O)c2cncc(OC)c2)C1 ZINC000263463480 436967365 /nfs/dbraw/zinc/96/73/65/436967365.db2.gz FKNZVTQIIHFRON-UHFFFAOYSA-N 0 0 343.405 0.306 10 0 ECAERN COC[C@H](C)S(=O)(=O)NC1CC([N@@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263497433 436968123 /nfs/dbraw/zinc/96/81/23/436968123.db2.gz ROFWMVJGPWCGDV-PKSQDBQZSA-N 0 0 334.438 0.268 10 0 ECAERN C[C@H](NC(=O)C(=O)Nc1ccc(-n2ccnn2)cc1)[C@H]1CCCO1 ZINC000171227294 436973807 /nfs/dbraw/zinc/97/38/07/436973807.db2.gz WXNNAZJRWQNCIP-SMDDNHRTSA-N 0 0 329.360 0.890 10 0 ECAERN COc1ccc(C(=O)N2CCO[C@@H](C[N@H+](C)CC(=O)[O-])C2)c(C)c1 ZINC000262968219 436946842 /nfs/dbraw/zinc/94/68/42/436946842.db2.gz RGSRCJNXTJCJOI-AWEZNQCLSA-N 0 0 336.388 0.861 10 0 ECAERN C[N@@H+](CC(=O)[O-])C[C@@H]1CN(C(=O)COc2ccc(O)cc2)CCO1 ZINC000262955876 436946860 /nfs/dbraw/zinc/94/68/60/436946860.db2.gz PMANSJGHKBCNBC-CQSZACIVSA-N 0 0 338.360 0.015 10 0 ECAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)NCCNC(=O)C1CC1)CC2 ZINC000172519114 437016897 /nfs/dbraw/zinc/01/68/97/437016897.db2.gz CGWOOKJTJIEXOA-LBPRGKRZSA-N 0 0 334.424 0.542 10 0 ECAERN O=C(CNC(=O)c1ccccn1)N[C@H]1CCCN(c2cccnn2)C1 ZINC000172552565 437019360 /nfs/dbraw/zinc/01/93/60/437019360.db2.gz OGULRJIBXSBCSK-ZDUSSCGKSA-N 0 0 340.387 0.387 10 0 ECAERN CN(C)C(=O)CCCNC(=O)N1CCC(Nc2cccnn2)CC1 ZINC000172611980 437022418 /nfs/dbraw/zinc/02/24/18/437022418.db2.gz IOBWOSBLYRMVSL-UHFFFAOYSA-N 0 0 334.424 0.931 10 0 ECAERN O=C(N[C@@H]1CCc2ncnn2C1)N1CCC(Nc2cccnn2)CC1 ZINC000172628966 437024146 /nfs/dbraw/zinc/02/41/46/437024146.db2.gz BSJLFAQAPGFPEF-CYBMUJFWSA-N 0 0 342.407 0.669 10 0 ECAERN O=C(c1cnn(-c2ccc(F)cc2)n1)N1CC[C@@H](N2CCOCC2)C1 ZINC000172765101 437030101 /nfs/dbraw/zinc/03/01/01/437030101.db2.gz VONPVDNMGIUVIO-OAHLLOKOSA-N 0 0 345.378 0.953 10 0 ECAERN CN1CCO[C@H](CNC(=O)CNC(=O)c2cc3ccccc3[nH]2)C1 ZINC000172922044 437032829 /nfs/dbraw/zinc/03/28/29/437032829.db2.gz MUYAEHUSMUGHSI-CYBMUJFWSA-N 0 0 330.388 0.345 10 0 ECAERN CCN(C(=O)[C@H](C)N1CCN2CCC[C@@H]2C1)[C@H]1CCS(=O)(=O)C1 ZINC000171643117 436983478 /nfs/dbraw/zinc/98/34/78/436983478.db2.gz GMBJYTFRCZLKSB-ZNMIVQPWSA-N 0 0 343.493 0.191 10 0 ECAERN CC(C)c1nnc2n1C[C@@H](Nc1ncccc1S(N)(=O)=O)CC2 ZINC000171880129 436990939 /nfs/dbraw/zinc/99/09/39/436990939.db2.gz UNLUYHYBONPLNC-JTQLQIEISA-N 0 0 336.421 0.871 10 0 ECAERN COCCN1CCN(C(=O)CNC(=O)c2ccc(F)cc2)C[C@@H]1C ZINC000172295848 437006377 /nfs/dbraw/zinc/00/63/77/437006377.db2.gz SHUPINFEJIOTQH-ZDUSSCGKSA-N 0 0 337.395 0.735 10 0 ECAERN CN1CCO[C@H](CNC(=O)C(=O)N2CCCc3ccc(F)cc32)C1 ZINC000172308739 437008759 /nfs/dbraw/zinc/00/87/59/437008759.db2.gz SOFRFZUYOSLSEF-CQSZACIVSA-N 0 0 335.379 0.552 10 0 ECAERN COCCN1CCN(C(=O)NCCC(=O)N2CCCCC2)C[C@H]1C ZINC000172325126 437010738 /nfs/dbraw/zinc/01/07/38/437010738.db2.gz KVZPSJAKIDASPH-OAHLLOKOSA-N 0 0 340.468 0.751 10 0 ECAERN O=C(Cc1nc2ncccn2n1)N1CCC(Cn2cccn2)CC1 ZINC000172393504 437012216 /nfs/dbraw/zinc/01/22/16/437012216.db2.gz QNOOFNNUPORIDX-UHFFFAOYSA-N 0 0 325.376 0.802 10 0 ECAERN CCCC(=O)NCC(=O)NC[C@@H]1CCCN1c1cc(NC)ncn1 ZINC000173436504 437049691 /nfs/dbraw/zinc/04/96/91/437049691.db2.gz AQDSFKFVFDFKLR-LBPRGKRZSA-N 0 0 334.424 0.520 10 0 ECAERN CNc1cc(N2CCC[C@H]2CNC(=O)[C@H](C)n2cncn2)ncn1 ZINC000173435655 437050979 /nfs/dbraw/zinc/05/09/79/437050979.db2.gz JMRCZUNHUDYEAJ-RYUDHWBXSA-N 0 0 330.396 0.456 10 0 ECAERN CNc1cc(N2CCC[C@@H]2CNC(=O)CCc2cnn(C)c2)ncn1 ZINC000173440988 437051109 /nfs/dbraw/zinc/05/11/09/437051109.db2.gz RSZYIYCGNIABPK-CQSZACIVSA-N 0 0 343.435 0.970 10 0 ECAERN CC(=O)NC1(C(=O)N2CCO[C@@H](c3nnc(C)[nH]3)C2)CCCCC1 ZINC000173526878 437054580 /nfs/dbraw/zinc/05/45/80/437054580.db2.gz LMNCESIHUUCUFR-CYBMUJFWSA-N 0 0 335.408 0.852 10 0 ECAERN Cc1nnc([C@@H]2CN(C(=O)CCNC(=O)c3ccco3)CCO2)[nH]1 ZINC000173542483 437056651 /nfs/dbraw/zinc/05/66/51/437056651.db2.gz GYZYYUDLFQETQY-LBPRGKRZSA-N 0 0 333.348 0.426 10 0 ECAERN CCC[C@@H](O)CNC(=O)N[C@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000173567126 437056826 /nfs/dbraw/zinc/05/68/26/437056826.db2.gz DDLGGMIYNVFGCK-OLZOCXBDSA-N 0 0 337.424 0.684 10 0 ECAERN Cc1nnc([C@H]2CN(C(=O)Cn3c4ccccc4[nH]c3=O)CCO2)[nH]1 ZINC000173547132 437057238 /nfs/dbraw/zinc/05/72/38/437057238.db2.gz HXMDQJBROLXDPR-CYBMUJFWSA-N 0 0 342.359 0.356 10 0 ECAERN CCc1nc(C2(NCC(=O)NCC(=O)N3CCCC3)CCCC2)no1 ZINC000173698251 437061233 /nfs/dbraw/zinc/06/12/33/437061233.db2.gz PZCKFOXHLKRGEW-UHFFFAOYSA-N 0 0 349.435 0.730 10 0 ECAERN O=C(c1cncn1-c1ccc(F)cc1)N1CC[C@](O)(c2cn[nH]n2)C1 ZINC000284692705 437061791 /nfs/dbraw/zinc/06/17/91/437061791.db2.gz SQUFQUJDANLDFW-MRXNPFEDSA-N 0 0 342.334 0.863 10 0 ECAERN Cc1nnc([C@H]2CN(S(=O)(=O)c3c(C)nn(C)c3C)CCO2)[nH]1 ZINC000173736841 437062256 /nfs/dbraw/zinc/06/22/56/437062256.db2.gz IZWWSOOOGKQSJT-LLVKDONJSA-N 0 0 340.409 0.226 10 0 ECAERN C[C@@H]1CN(C(=O)CCNC(=O)C(C)(C)C)C[C@H]1N1CCOCC1 ZINC000173885030 437066894 /nfs/dbraw/zinc/06/68/94/437066894.db2.gz DUVXPJMDHWDSIS-ZIAGYGMSSA-N 0 0 325.453 0.718 10 0 ECAERN Cc1nn(C)c(Cl)c1S(=O)(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000174002383 437072500 /nfs/dbraw/zinc/07/25/00/437072500.db2.gz WWMFTVCWISEFMD-LLVKDONJSA-N 0 0 348.856 0.477 10 0 ECAERN O=C(Nc1cc(F)cc(F)c1)C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000174009340 437073489 /nfs/dbraw/zinc/07/34/89/437073489.db2.gz KGLKVDXEMCKESV-CQSZACIVSA-N 0 0 339.342 0.836 10 0 ECAERN C[C@H]1CN(C(=O)CCOC2CCOCC2)C[C@@H]1N1CCOCC1 ZINC000175449079 437105176 /nfs/dbraw/zinc/10/51/76/437105176.db2.gz VIFNOYANNWLVHH-HOCLYGCPSA-N 0 0 326.437 0.751 10 0 ECAERN COC(=O)CCN(Cc1cccc(F)c1F)C(=O)[C@@H]1CNC(=O)C1 ZINC000175483786 437106829 /nfs/dbraw/zinc/10/68/29/437106829.db2.gz DXBKFIJHVSRZND-NSHDSACASA-N 0 0 340.326 0.993 10 0 ECAERN COCCN1C(=O)N[C@@H]2CN(c3nc(C)nc4c3cnn4C)CC[C@@H]21 ZINC000299742958 437108580 /nfs/dbraw/zinc/10/85/80/437108580.db2.gz LANWLBJLHLDGSR-OLZOCXBDSA-N 0 0 345.407 0.291 10 0 ECAERN COc1cccc(CC(=O)N2C[C@@H](c3cnn(C)c3)[C@H](CO)C2)n1 ZINC000299741373 437108673 /nfs/dbraw/zinc/10/86/73/437108673.db2.gz FJUVGWIIOIDZSR-ZFWWWQNUSA-N 0 0 330.388 0.601 10 0 ECAERN Cc1cc(N2CCC[C@@H](NC(=O)NCC3(C)COC3)C2=O)n(C)n1 ZINC000176702523 437152647 /nfs/dbraw/zinc/15/26/47/437152647.db2.gz WBQFEWVNTMYDQF-GFCCVEGCSA-N 0 0 335.408 0.560 10 0 ECAERN NS(=O)(=O)[C@@H]1N=CC=C(I)[C@H]1OC1CC1 ZINC000095734521 303442142 /nfs/dbraw/zinc/44/21/42/303442142.db2.gz QDFNVGDFFKJRIY-SFYZADRCSA-N 0 0 342.158 0.552 10 0 ECAERN COCc1cc(N2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)n2ncnc2n1 ZINC000301088563 437113603 /nfs/dbraw/zinc/11/36/03/437113603.db2.gz MQBHWVCZTRZWBL-ZDUSSCGKSA-N 0 0 346.435 0.960 10 0 ECAERN CNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2Cn2ccnc2)o1 ZINC000177794790 437197914 /nfs/dbraw/zinc/19/79/14/437197914.db2.gz IYPORFDVFSKCBT-LLVKDONJSA-N 0 0 338.389 0.689 10 0 ECAERN C[C@H](C(=O)N1CCN(c2ccccn2)CC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000178630691 437219844 /nfs/dbraw/zinc/21/98/44/437219844.db2.gz ZLNJTEHOOVNMDA-IAGOWNOFSA-N 0 0 343.475 0.899 10 0 ECAERN C[C@H](NC(=O)C(=O)Nc1cnn(Cc2ccncc2)c1)[C@@H]1CCCO1 ZINC000178777617 437229631 /nfs/dbraw/zinc/22/96/31/437229631.db2.gz QBORVTDDLMKFFI-WFASDCNBSA-N 0 0 343.387 0.949 10 0 ECAERN CNC(=O)[C@H](NC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1cccnc1)C(C)C ZINC000178867050 437236278 /nfs/dbraw/zinc/23/62/78/437236278.db2.gz IAKKAMSFMFWYAJ-BPLDGKMQSA-N 0 0 332.404 0.488 10 0 ECAERN CC(C)[C@H](O)CC(=O)NCc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000178900260 437237187 /nfs/dbraw/zinc/23/71/87/437237187.db2.gz RQKLYJZCEJWGNJ-CQSZACIVSA-N 0 0 328.434 0.960 10 0 ECAERN NC(=O)c1noc([C@H]2CCCN2Cc2cc(=O)n3ccccc3n2)n1 ZINC000328629048 437240835 /nfs/dbraw/zinc/24/08/35/437240835.db2.gz HVYCXCZAXSKWKP-LLVKDONJSA-N 0 0 340.343 0.514 10 0 ECAERN CCCn1nnnc1CN(C)C[C@@H]1C[C@H](F)CN1Cc1cncnc1 ZINC000328622351 437242339 /nfs/dbraw/zinc/24/23/39/437242339.db2.gz BEMNHOKTEXIDFQ-GJZGRUSLSA-N 0 0 348.430 0.918 10 0 ECAERN CCc1nnc2n1CCN(C1CN(C(=O)c3cccc(C)n3)C1)C2 ZINC000328632628 437243517 /nfs/dbraw/zinc/24/35/17/437243517.db2.gz LLSYUEJVHFHVLA-UHFFFAOYSA-N 0 0 326.404 0.884 10 0 ECAERN Cn1cnnc1[C@H]1CN(CC(=O)N2CCc3ccccc32)CCO1 ZINC000328634939 437245221 /nfs/dbraw/zinc/24/52/21/437245221.db2.gz MZFGQAKLHSRBSV-OAHLLOKOSA-N 0 0 327.388 0.778 10 0 ECAERN O=C(CN1C[C@H](O)C[C@@H]1CO)Nc1ccccc1Br ZINC000179184898 437254657 /nfs/dbraw/zinc/25/46/57/437254657.db2.gz OSYQGQQJHJSMJH-NXEZZACHSA-N 0 0 329.194 0.815 10 0 ECAERN CCCc1cnc(NC(=O)NC[C@H](O)CN2CCOCC2)s1 ZINC000180807639 437302755 /nfs/dbraw/zinc/30/27/55/437302755.db2.gz IYNHONQLMKTKSF-NSHDSACASA-N 0 0 328.438 0.910 10 0 ECAERN C[C@@H](NC(=O)NCCNC(=O)c1ccn[nH]1)c1nnc2n1CCCC2 ZINC000181462228 437318781 /nfs/dbraw/zinc/31/87/81/437318781.db2.gz SIECOWPISWSFQB-SNVBAGLBSA-N 0 0 346.395 0.128 10 0 ECAERN Cc1nc2cc(NC(=O)C(=O)NC[C@@H]3CN(C)CCO3)ccc2o1 ZINC000179728989 437273491 /nfs/dbraw/zinc/27/34/91/437273491.db2.gz HCPVDRSVGRHDED-GFCCVEGCSA-N 0 0 332.360 0.522 10 0 ECAERN O=C(NC[C@@H]1COC2(CCCCC2)O1)N[C@H]1CCc2ncnn2C1 ZINC000180619662 437297588 /nfs/dbraw/zinc/29/75/88/437297588.db2.gz WGVMLCTWKSKYAG-QWHCGFSZSA-N 0 0 335.408 0.968 10 0 ECAERN CCCc1cc(NC(=O)C(=O)N2CCC[C@H](n3cncn3)C2)n(C)n1 ZINC000180723192 437300034 /nfs/dbraw/zinc/30/00/34/437300034.db2.gz DUHVBVUJHDGNPH-ZDUSSCGKSA-N 0 0 345.407 0.766 10 0 ECAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)N[C@@H](C)C[S@](C)=O)CCO2)n1 ZINC000182610601 437354981 /nfs/dbraw/zinc/35/49/81/437354981.db2.gz NUKKWPFHGIZCKY-YSALQEOHSA-N 0 0 342.465 0.677 10 0 ECAERN COCC(=O)NC1CN(C[C@@H](O)COc2ccc(Cl)cc2)C1 ZINC000185092096 437423915 /nfs/dbraw/zinc/42/39/15/437423915.db2.gz VEJKLVJLMWQRKB-CYBMUJFWSA-N 0 0 328.796 0.527 10 0 ECAERN OC[C@H]1C[C@@H](O)CN1Cc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000184004990 437396280 /nfs/dbraw/zinc/39/62/80/437396280.db2.gz PCRWGAHSGOKXJY-VXGBXAGGSA-N 0 0 326.759 0.987 10 0 ECAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000188469907 437551139 /nfs/dbraw/zinc/55/11/39/437551139.db2.gz RTSKDIHNKIIKJF-KURKYZTESA-N 0 0 345.443 0.921 10 0 ECAERN Cn1nc(C(=O)N2CC(NC(=O)C3CCC3)C2)cc1OC(F)F ZINC000188512498 437553234 /nfs/dbraw/zinc/55/32/34/437553234.db2.gz JASCRVBKAQOVQW-UHFFFAOYSA-N 0 0 328.319 0.762 10 0 ECAERN O=C(NC1CN(C(=O)c2ccc(N3CCNC3=O)cc2)C1)C1CCC1 ZINC000188537327 437553755 /nfs/dbraw/zinc/55/37/55/437553755.db2.gz QBLGFYMNGQFDMR-UHFFFAOYSA-N 0 0 342.399 0.957 10 0 ECAERN CC1(Cn2cc(C(=O)N3CC(NC(=O)C4CCC4)C3)nn2)COC1 ZINC000188526064 437555116 /nfs/dbraw/zinc/55/51/16/437555116.db2.gz AKGZEAUYHHHFOI-UHFFFAOYSA-N 0 0 333.392 0.055 10 0 ECAERN CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1cnn([C@H](C)C2CC2)c1 ZINC000188961096 437578474 /nfs/dbraw/zinc/57/84/74/437578474.db2.gz FFYQHPOXXXCSIA-ZWNOBZJWSA-N 0 0 333.392 0.530 10 0 ECAERN CNS(=O)(=O)CCNC(=O)[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000189006556 437579576 /nfs/dbraw/zinc/57/95/76/437579576.db2.gz ZESPZEMHHVRMSG-KGLIPLIRSA-N 0 0 326.418 0.820 10 0 ECAERN CCn1cnc2c(c1=O)CCN(S(=O)(=O)CC[C@H]1CCCO1)C2 ZINC000189213325 437588215 /nfs/dbraw/zinc/58/82/15/437588215.db2.gz IRXBUSSVVXTAFU-GFCCVEGCSA-N 0 0 341.433 0.520 10 0 ECAERN CCS(=O)(=O)NCCCN1C[C@@H](OC)C[C@@H]1c1nc(C)no1 ZINC000189316040 437590748 /nfs/dbraw/zinc/59/07/48/437590748.db2.gz XCPCIGAWOIVBOF-NWDGAFQWSA-N 0 0 332.426 0.469 10 0 ECAERN CCn1cc([C@@H]2CN(C[C@H](O)COC[C@@H]3CCCO3)CCO2)cn1 ZINC000190760192 437635138 /nfs/dbraw/zinc/63/51/38/437635138.db2.gz JXNSFOKAWZCLDE-ULQDDVLXSA-N 0 0 339.436 0.833 10 0 ECAERN COc1cc(S(=O)(=O)NC[C@H](O)C[NH+]2CCCCC2)ccc1F ZINC000190687920 437636461 /nfs/dbraw/zinc/63/64/61/437636461.db2.gz OHBNFCQCWLRGOA-LBPRGKRZSA-N 0 0 346.424 0.959 10 0 ECAERN CCOc1cc(C)nc(N2CCN(Cc3nc(N(C)C)no3)CC2)n1 ZINC000192713735 437688278 /nfs/dbraw/zinc/68/82/78/437688278.db2.gz LELMNCQULWMACA-UHFFFAOYSA-N 0 0 347.423 0.955 10 0 ECAERN Cc1cc(C)nc(NC(=O)C(=O)N2CC[C@@H](N3CCOCC3)C2)c1 ZINC000193368273 437709539 /nfs/dbraw/zinc/70/95/39/437709539.db2.gz XIHQYFUGDBHFCQ-CQSZACIVSA-N 0 0 332.404 0.570 10 0 ECAERN C[C@@H]1OCC[C@]1(O)CNS(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C ZINC000365582394 437934475 /nfs/dbraw/zinc/93/44/75/437934475.db2.gz KMGIWALZLZIFOY-APYUEPQZSA-N 0 0 345.461 0.841 10 0 ECAERN CCOC1CC(C(=O)N2CC[C@H](Nc3ccc4nccn4n3)C2)C1 ZINC000377277970 438306881 /nfs/dbraw/zinc/30/68/81/438306881.db2.gz UXWFBRJDSFUXBM-MOKVOYLWSA-N 0 0 329.404 1.557 10 0 ECAERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000389233721 438428376 /nfs/dbraw/zinc/42/83/76/438428376.db2.gz YDBNORKUERYECY-YWVKMMECSA-N 0 0 345.339 0.657 10 0 ECAERN CN1C[C@H](CNc2ccc(I)cn2)CC1=O ZINC000596486880 438968694 /nfs/dbraw/zinc/96/86/94/438968694.db2.gz BDANZPDXMVENCS-QMMMGPOBSA-N 0 0 331.157 1.576 10 0 ECAERN C[C@H]1C(=O)NCCN1C(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000491077191 439330855 /nfs/dbraw/zinc/33/08/55/439330855.db2.gz SYDPJHAJIIZPFJ-RYUDHWBXSA-N 0 0 325.409 0.980 10 0 ECAERN Cc1nn(C)c(C)c1S(=O)(=O)N1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000583616376 439486378 /nfs/dbraw/zinc/48/63/78/439486378.db2.gz KOGCWXRSYHMSGH-MJBXVCDLSA-N 0 0 343.449 0.587 10 0 ECAERN NC(=O)c1cccc([C@@H]2CN(S(N)(=O)=O)c3ccccc3N2)c1 ZINC000616585687 439820670 /nfs/dbraw/zinc/82/06/70/439820670.db2.gz XHMFOQIGCVMTQA-ZDUSSCGKSA-N 0 0 332.385 0.962 10 0 ECAERN CCN1CCO[C@@H](CNC(=O)c2cn(C)nc2C)[C@@H]1c1cnn(C)c1 ZINC000618144034 440060812 /nfs/dbraw/zinc/06/08/12/440060812.db2.gz LNXGMAJASARCBX-HOTGVXAUSA-N 0 0 346.435 0.654 10 0 ECAERN CCn1cc(O[C@@H]2CN(C(=O)CCc3ccnc(C)n3)C[C@H]2O)cn1 ZINC000628249565 440441394 /nfs/dbraw/zinc/44/13/94/440441394.db2.gz IKQPELSWNIWYCS-HZPDHXFCSA-N 0 0 345.403 0.585 10 0 ECAERN Cc1nnc2n1C[C@@H](C(=O)N1CCC(Cn3cccn3)CC1)N(C)C2 ZINC000644357179 440545904 /nfs/dbraw/zinc/54/59/04/440545904.db2.gz MGLFCFUXCIECNZ-HNNXBMFYSA-N 0 0 343.435 0.536 10 0 ECAERN C[C@](NC[C@@H](O)CN1CCCC1=O)(C(N)=O)c1cccc(Cl)c1 ZINC000127225138 320470173 /nfs/dbraw/zinc/47/01/73/320470173.db2.gz WWSOCSJNVRFXEB-CZUORRHYSA-N 0 0 339.823 0.613 10 0 ECAERN CC(C)c1nnc2n1C[C@@H](NC(=O)NCCNC(=O)C1CC1)CC2 ZINC000181401171 320526676 /nfs/dbraw/zinc/52/66/76/320526676.db2.gz HGCZCIGMGFYTSV-LBPRGKRZSA-N 0 0 334.424 0.542 10 0 ECAERN CO[C@H]1C[C@@H](C(N)=O)N(C(=O)c2cn(-c3ccccc3)nc2C)C1 ZINC000284689961 320631044 /nfs/dbraw/zinc/63/10/44/320631044.db2.gz WKKHSOGQMWTVJZ-ZFWWWQNUSA-N 0 0 328.372 0.896 10 0 ECAERN O=C1[C@H](N2CCN(Cc3ncc[nH]3)CC2)CCN1C1CCOCC1 ZINC000328670485 320726228 /nfs/dbraw/zinc/72/62/28/320726228.db2.gz MQKRUQFKJIYKPU-OAHLLOKOSA-N 0 0 333.436 0.307 10 0 ECAERN CS(=O)(=O)N1CCCN(C(=O)C[C@H]2CCCCNC2=O)CC1 ZINC000328794348 320733060 /nfs/dbraw/zinc/73/30/60/320733060.db2.gz SKPYZXYGXFOAQA-GFCCVEGCSA-N 0 0 331.438 0.627 10 0 ECAERN CN(C(=O)N1CC[C@H](Oc2ccncc2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000328845423 320736091 /nfs/dbraw/zinc/73/60/91/320736091.db2.gz RQELIMBRMYMNAE-OCCSQVGLSA-N 0 0 339.417 0.774 10 0 ECAERN Cc1cc(C(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)c2cnn(C)c2n1 ZINC000328918418 320741578 /nfs/dbraw/zinc/74/15/78/320741578.db2.gz BFSYXNBBVYXJGY-LLVKDONJSA-N 0 0 328.332 0.493 10 0 ECAERN CN(C(=O)[C@H]1OCC(=O)N(C)[C@H]1c1ccccc1)c1nccn1C ZINC000328981406 320746108 /nfs/dbraw/zinc/74/61/08/320746108.db2.gz DQUWCIDVKNLGPO-GJZGRUSLSA-N 0 0 328.372 0.981 10 0 ECAERN O=C(c1cnn2ccncc12)N1CSC[C@@H]1C(=O)N1CCCC1 ZINC000329342067 320767332 /nfs/dbraw/zinc/76/73/32/320767332.db2.gz SLVVCLNFYHQOND-CYBMUJFWSA-N 0 0 331.401 0.867 10 0 ECAERN Cc1nc(C(=O)N2C[C@]3(CCCO3)[C@H]2C(C)C)nn1-c1nc[nH]n1 ZINC000329350547 320767663 /nfs/dbraw/zinc/76/76/63/320767663.db2.gz WVMFSZGJBCHHIV-IAQYHMDHSA-N 0 0 331.380 0.723 10 0 ECAERN C[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000329764785 320788520 /nfs/dbraw/zinc/78/85/20/320788520.db2.gz WDMZMWIBWZHEKY-NZBPQXDJSA-N 0 0 338.429 0.583 10 0 ECAERN Cc1cc(CS(=O)(=O)N2CCN(Cc3ccon3)CC2)on1 ZINC000330145238 320807164 /nfs/dbraw/zinc/80/71/64/320807164.db2.gz SDKZLLPKCMBGKY-UHFFFAOYSA-N 0 0 326.378 0.619 10 0 ECAERN O=S(=O)(NC1CCN(c2cccnn2)CC1)[C@@H]1CCCOC1 ZINC000330329259 320817533 /nfs/dbraw/zinc/81/75/33/320817533.db2.gz WNGYNVDZBNMCPS-CYBMUJFWSA-N 0 0 326.422 0.544 10 0 ECAERN CO[C@H]1C[C@@H](CO)N(C(=O)Cn2nnc(-c3ccc(C)cc3)n2)C1 ZINC000338172630 320960532 /nfs/dbraw/zinc/96/05/32/320960532.db2.gz RYUWKKVGZXWFCJ-KBPBESRZSA-N 0 0 331.376 0.257 10 0 ECAERN CSCc1noc(CCC(=O)N2CC(NC(=O)C3CCC3)C2)n1 ZINC000188487140 533876862 /nfs/dbraw/zinc/87/68/62/533876862.db2.gz XCXCSVSBXCXJCL-UHFFFAOYSA-N 0 0 338.433 0.992 10 0 ECAERN C[C@@H]1CN(C(=O)CNC(=O)c2cccc(F)c2)C[C@@H]1N1CCOCC1 ZINC000173979327 534305247 /nfs/dbraw/zinc/30/52/47/534305247.db2.gz VTQVZNXIIBHRSH-CJNGLKHVSA-N 0 0 349.406 0.735 10 0 ECAERN NC(=O)c1cccc(CCNC(=O)N2CCC[C@H](n3cncn3)C2)c1 ZINC000174610432 534492153 /nfs/dbraw/zinc/49/21/53/534492153.db2.gz RTJZLXPCQDZKSG-HNNXBMFYSA-N 0 0 342.403 0.966 10 0 ECAERN CC(=O)NC1CN(C(=O)C(=O)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000191349787 526704915 /nfs/dbraw/zinc/70/49/15/526704915.db2.gz GGFUAEVDRAUZEK-UHFFFAOYSA-N 0 0 329.278 0.991 10 0 ECAERN CC(=O)NC1CN(C(=O)c2cc(I)c[nH]2)C1 ZINC000190484057 526712075 /nfs/dbraw/zinc/71/20/75/526712075.db2.gz NVZNLKUTFPPSAV-UHFFFAOYSA-N 0 0 333.129 0.580 10 0 ECAERN CC(=O)NC1CN(C(=O)[C@@H](Cc2ccccc2)n2nnnc2C)C1 ZINC000190527776 526712979 /nfs/dbraw/zinc/71/29/79/526712979.db2.gz UMJPOXYOFHXMMT-OAHLLOKOSA-N 0 0 328.376 0.112 10 0 ECAERN CC(C)CC(=O)N[C@H](C(=O)N1CCc2nn(C)c(=O)cc2C1)C(C)C ZINC000174457040 527667829 /nfs/dbraw/zinc/66/78/29/527667829.db2.gz IGDABIANRXXCDC-KRWDZBQOSA-N 0 0 348.447 0.852 10 0 ECAERN CCCN(C)S(=O)(=O)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000178696483 527855680 /nfs/dbraw/zinc/85/56/80/527855680.db2.gz OFDDQLOGJDQNTC-INIZCTEOSA-N 0 0 341.477 0.924 10 0 ECAERN CC(C)c1nnc2n1C[C@H](NC(=O)CNC(=O)c1ccccn1)CC2 ZINC000172533892 528477682 /nfs/dbraw/zinc/47/76/82/528477682.db2.gz UZAILZSRZICDPS-GFCCVEGCSA-N 0 0 342.403 0.658 10 0 ECAERN COc1ccc(S(=O)(=O)N(C)C[C@H]2CN(C)CCO2)cc1OC ZINC000074774980 545684750 /nfs/dbraw/zinc/68/47/50/545684750.db2.gz YCCHTGCNVDXAFA-GFCCVEGCSA-N 0 0 344.433 0.655 10 0 ECAERN CCn1cc(CN2CCCN(C(=O)C(=O)c3cnn(C)c3)CC2)cn1 ZINC000105830906 545736507 /nfs/dbraw/zinc/73/65/07/545736507.db2.gz VSBULYQYCXHQKX-UHFFFAOYSA-N 0 0 344.419 0.554 10 0 ECAERN CCCn1cc(CN2CCCN(C(=O)[C@H](C)NC(N)=O)CC2)cn1 ZINC000105831756 545739266 /nfs/dbraw/zinc/73/92/66/545739266.db2.gz HRVBNEAJMMDIQG-ZDUSSCGKSA-N 0 0 336.440 0.384 10 0 ECAERN COCCN1CCN(CC(=O)Nc2ccccc2C(N)=O)C[C@H]1C ZINC000105833202 545740185 /nfs/dbraw/zinc/74/01/85/545740185.db2.gz WXKQMRHKHNYGRO-CYBMUJFWSA-N 0 0 334.420 0.377 10 0 ECAERN CCCn1cc(CN2CCCN(C(=O)[C@H]3CNC(=O)C3)CC2)cn1 ZINC000105834651 545740316 /nfs/dbraw/zinc/74/03/16/545740316.db2.gz NFHQQYQDDNFTQL-OAHLLOKOSA-N 0 0 333.436 0.464 10 0 ECAERN CC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2cnn(C(C)(C)C)c2)C1 ZINC000151644003 545811175 /nfs/dbraw/zinc/81/11/75/545811175.db2.gz HKPNLRCHCGDDBO-GFCCVEGCSA-N 0 0 335.408 0.704 10 0 ECAERN CCn1nc(C)c(NC(=O)C(=O)N2CC[C@@H](N3CCOCC3)C2)c1C ZINC000153304361 545823415 /nfs/dbraw/zinc/82/34/15/545823415.db2.gz STMRXTSQUXOOTM-CQSZACIVSA-N 0 0 349.435 0.391 10 0 ECAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)[C@H]1CCCCN1S(C)(=O)=O ZINC000177692701 545874579 /nfs/dbraw/zinc/87/45/79/545874579.db2.gz MGFCXPGQSLHZHE-NWDGAFQWSA-N 0 0 341.437 0.352 10 0 ECAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1C[C@@H](C)OC[C@@H]1c1ccccc1 ZINC000189167895 545904609 /nfs/dbraw/zinc/90/46/09/545904609.db2.gz BXDGRFDMUODKOX-BASLNEPJSA-N 0 0 332.400 0.957 10 0 ECAERN O=C(c1cscc1Br)N1CC[C@]2(C1)NC(=O)NC2=O ZINC000404958954 546197707 /nfs/dbraw/zinc/19/77/07/546197707.db2.gz UFRHGTWDPVEEDN-LLVKDONJSA-N 0 0 344.190 0.935 10 0 ECAERN CCn1cc(O[C@@H]2CN(c3cncc(-n4cccn4)n3)C[C@H]2O)cn1 ZINC000624420189 546922181 /nfs/dbraw/zinc/92/21/81/546922181.db2.gz IUEFPCLKLQFEMN-ZIAGYGMSSA-N 0 0 341.375 0.507 10 0 ECAERN CC(C)Oc1ncccc1NC(=O)N1C[C@@H](O)[C@H](n2ccnn2)C1 ZINC000626292826 547330130 /nfs/dbraw/zinc/33/01/30/547330130.db2.gz FMDXALLUOSAFMI-CHWSQXEVSA-N 0 0 332.364 0.910 10 0 ECAERN O=C(CN1CCc2ccccc21)N1CC[C@](O)(Cn2ccnn2)C1 ZINC000671604893 548202155 /nfs/dbraw/zinc/20/21/55/548202155.db2.gz MCFZZNAOECTSTN-QGZVFWFLSA-N 0 0 327.388 0.304 10 0 ECAERN CN1CCS(=O)(=O)C[C@@H]1CC(=O)N1CCC(=O)C[C@@H]1C1CC1 ZINC000891810698 586197833 /nfs/dbraw/zinc/19/78/33/586197833.db2.gz VROJNPZPONWXMY-GXTWGEPZSA-N 0 0 328.434 0.075 10 0 ECAERN CN(C(=O)CCc1ccc(=O)[nH]c1)[C@H]1COC[C@H]1Oc1cnn(C)c1 ZINC000888078261 586246301 /nfs/dbraw/zinc/24/63/01/586246301.db2.gz DVZJVCOIIRBQCM-LSDHHAIUSA-N 0 0 346.387 0.758 10 0 ECAERN O=C(N[C@@H]1C[C@@H](O)C12CCOCC2)c1cnnn1Cc1ccccc1 ZINC000888095389 586349483 /nfs/dbraw/zinc/34/94/83/586349483.db2.gz YCEDSLATMZAVGD-HZPDHXFCSA-N 0 0 342.399 0.986 10 0 ECAERN Cc1n[nH]cc1C(=O)NC[C@@H]1CN(c2ncc(C)cn2)CCCO1 ZINC000888103260 586350770 /nfs/dbraw/zinc/35/07/70/586350770.db2.gz AZCUGFCFEYFWDQ-CYBMUJFWSA-N 0 0 330.392 0.842 10 0 ECAERN CN1C(=O)N[C@]2(CCN(C(=O)[C@@]3(c4ccccc4)C[C@@H](O)C3)C2)C1=O ZINC000900477051 586636957 /nfs/dbraw/zinc/63/69/57/586636957.db2.gz AIDWLYBYETVRCJ-VHSSKADRSA-N 0 0 343.383 0.232 10 0 ECAERN C/C=C/[C@@H](O)C(=O)N1CCN(c2nc(C)nc3c2cnn3C)CC1 ZINC000900711838 586658348 /nfs/dbraw/zinc/65/83/48/586658348.db2.gz QODBZXWJLHQISS-MUBLQREKSA-N 0 0 330.392 0.257 10 0 ECAERN C/C=C\[C@H](O)C(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1noc(C)n1 ZINC000907574334 586738444 /nfs/dbraw/zinc/73/84/44/586738444.db2.gz ARLKTDXRDCWYKO-PMSGKRBCSA-N 0 0 326.372 0.686 10 0 ECAERN C/C(=C/C(=O)N1CCO[C@H](c2noc(C)n2)C1)CN1CCOCC1 ZINC000907258707 587030363 /nfs/dbraw/zinc/03/03/63/587030363.db2.gz UZERKPVGXNTLJR-UQTJOTSZSA-N 0 0 336.392 0.556 10 0 ECAERN O=C(CN1CCN(C[C@@H](O)c2ccccc2)CC1)NC(=O)NC1CC1 ZINC000105820358 589139678 /nfs/dbraw/zinc/13/96/78/589139678.db2.gz SZDURJMYXICKTE-MRXNPFEDSA-N 0 0 346.431 0.326 10 0 ECAERN Cc1noc([C@H](C)N2CCN(S(=O)(=O)N(C)C(C)C)CC2)n1 ZINC000111344642 589543293 /nfs/dbraw/zinc/54/32/93/589543293.db2.gz ZWVKVOWCRNQCPP-NSHDSACASA-N 0 0 331.442 0.642 10 0 ECAERN Cn1cc([C@@H]2CCN(CN3C(=O)C(=O)N(C4CCCC4)C3=O)C2)cn1 ZINC000116257561 589765543 /nfs/dbraw/zinc/76/55/43/589765543.db2.gz PDBAHZPNNQOMPS-GFCCVEGCSA-N 0 0 345.403 0.900 10 0 ECAERN CCN1C(=O)CN(CN2CCN(Cc3cnc(C)s3)CC2)C1=O ZINC000122281886 589926559 /nfs/dbraw/zinc/92/65/59/589926559.db2.gz QDGULFGKAMKAOI-UHFFFAOYSA-N 0 0 337.449 0.811 10 0 ECAERN Cn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2cn3ccccc3n2)cn1 ZINC000862926656 589975193 /nfs/dbraw/zinc/97/51/93/589975193.db2.gz SVYWQEVKUSWBTA-UONOGXRCSA-N 0 0 327.344 0.644 10 0 ECAERN CC(C)n1nnnc1CSc1nnc(-c2n[nH]c3c2CCC3)n1N ZINC000125233399 590258999 /nfs/dbraw/zinc/25/89/99/590258999.db2.gz ZGFICCNECDYXKJ-UHFFFAOYSA-N 0 0 346.424 0.730 10 0 ECAERN O=C1C(=O)N(CN2CCO[C@H](Cn3cccn3)C2)c2c1cccc2F ZINC000132659948 590655642 /nfs/dbraw/zinc/65/56/42/590655642.db2.gz YWHQMGRBNOWGON-LBPRGKRZSA-N 0 0 344.346 0.910 10 0 ECAERN COc1ncc(Cl)c(N2CC[C@@H]3OCCN(C(C)=O)[C@@H]3C2)n1 ZINC000886031751 590788080 /nfs/dbraw/zinc/78/80/80/590788080.db2.gz SDERJHNUHLCCKS-NEPJUHHUSA-N 0 0 326.784 0.965 10 0 ECAERN Cn1nccc1/C=C\C(=O)N1CCN([C@@H]2CCCCNC2=O)CC1 ZINC000886044664 590788973 /nfs/dbraw/zinc/78/89/73/590788973.db2.gz LBCZMFYCNOIXMB-IYKSTZQJSA-N 0 0 331.420 0.246 10 0 ECAERN CO[C@@H]1CCCCN(CC(=O)N2CCn3c(nnc3C3CC3)C2)C1=O ZINC000886075529 590790707 /nfs/dbraw/zinc/79/07/07/590790707.db2.gz NPSIPFRPRZEKAR-CYBMUJFWSA-N 0 0 347.419 0.525 10 0 ECAERN CO[C@@H]1CCCCN(CC(=O)NCc2nnc(C(C)C)n2C)C1=O ZINC000886074714 590790867 /nfs/dbraw/zinc/79/08/67/590790867.db2.gz QHANIRQBXFBFJQ-GFCCVEGCSA-N 0 0 337.424 0.582 10 0 ECAERN CO[C@@H]1CN(C(=O)C2(NC(C)=O)CCCCC2)C[C@H]1c1cn(C)nn1 ZINC000886075635 590790974 /nfs/dbraw/zinc/79/09/74/590790974.db2.gz RAWWKRBLBQHAAT-DZGCQCFKSA-N 0 0 349.435 0.595 10 0 ECAERN CO[C@H]1CCCCN(CC(=O)N2CC(n3nc(C)nc3C)C2)C1=O ZINC000886077932 590791870 /nfs/dbraw/zinc/79/18/70/590791870.db2.gz RHMUOBVCQJPGQD-AWEZNQCLSA-N 0 0 335.408 0.306 10 0 ECAERN Cn1nccc1[C@@H]1[C@@H](C(=O)N2CCCn3nccc32)CCC(=O)N1C ZINC000886089066 590793364 /nfs/dbraw/zinc/79/33/64/590793364.db2.gz URQITJGRNQWDHE-LRDDRELGSA-N 0 0 342.403 0.963 10 0 ECAERN O=C([O-])[C@]1([NH+]2CCN(c3cc(N4CCCC4)ncn3)CC2)CCOC1 ZINC000886094696 590794606 /nfs/dbraw/zinc/79/46/06/590794606.db2.gz CBUJCGQZVLGOFT-KRWDZBQOSA-N 0 0 347.419 0.443 10 0 ECAERN O=C(NC[C@@H](O)CN1CCOCC1)c1ccc2ccc(O)cc2c1O ZINC000828589443 591169349 /nfs/dbraw/zinc/16/93/49/591169349.db2.gz FEZVQMNVXRBYFA-CQSZACIVSA-N 0 0 346.383 0.674 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)N[C@H](C)c2nnnn2C2CC2)CC1 ZINC000188770379 611382670 /nfs/dbraw/zinc/38/26/70/611382670.db2.gz YOGKQHJYBIQEDZ-DGCLKSJQSA-N 0 0 337.428 0.167 10 0 ECAERN Cc1cnn(C[C@H]2CN(Cn3c4cnccc4n(C)c3=O)CCO2)c1 ZINC000159373084 611456873 /nfs/dbraw/zinc/45/68/73/611456873.db2.gz ONJAZJPCNIJGDL-CQSZACIVSA-N 0 0 342.403 0.598 10 0 ECAERN O=C([O-])[C@@H]1CN(C(=O)c2cnc3cc(Cl)ccc3c2O)CC[NH2+]1 ZINC000071747406 608643594 /nfs/dbraw/zinc/64/35/94/608643594.db2.gz OJIZKIFYFSODSE-LBPRGKRZSA-N 0 0 335.747 0.680 10 0 ECAERN CN1CCN(C(=O)[C@H]2CCCN2C(=O)/C=C/c2ccncc2)CC1 ZINC000071903957 608676781 /nfs/dbraw/zinc/67/67/81/608676781.db2.gz JFBTXUQFVTWSJY-DWTRPJMMSA-N 0 0 328.416 0.860 10 0 ECAERN Cc1nccn1C[C@H]1CCCN1CN1C(=O)C(=O)N(C(C)C)C1=O ZINC000176081325 608771966 /nfs/dbraw/zinc/77/19/66/608771966.db2.gz TZFZGPKULVCOFV-CYBMUJFWSA-N 0 0 333.392 0.813 10 0 ECAERN CC[C@@H]1CCc2c(sc(=O)n2CN2C[C@@H](C)O[C@@H](C(N)=O)C2)C1 ZINC000246299963 608890040 /nfs/dbraw/zinc/89/00/40/608890040.db2.gz BXZWTEIONVELRC-NQBHXWOUSA-N 0 0 339.461 0.957 10 0 ECAERN CC(C)N(C)S(=O)(=O)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000178696918 608930005 /nfs/dbraw/zinc/93/00/05/608930005.db2.gz DKQXEECAGMLDKL-MRXNPFEDSA-N 0 0 341.477 0.923 10 0 ECAERN O=S(=O)(c1ccc(Br)s1)N1CCOC[C@H]1CO ZINC000168676116 609031686 /nfs/dbraw/zinc/03/16/86/609031686.db2.gz TXSIKVJZEYONEP-SSDOTTSWSA-N 0 0 342.236 0.892 10 0 ECAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)C2CN([C@@H]3CCOC3)C2)C1 ZINC000907729020 609617411 /nfs/dbraw/zinc/61/74/11/609617411.db2.gz GMVUOCYRBYMSPS-MCIONIFRSA-N 0 0 336.392 0.387 10 0 ECAERN C[C@@H](CNC(=O)C1CN(S(C)(=O)=O)C1)N(C)C(=O)OC(C)(C)C ZINC000908067730 609643161 /nfs/dbraw/zinc/64/31/61/609643161.db2.gz FRVDHRMZUKGVMS-JTQLQIEISA-N 0 0 349.453 0.249 10 0 ECAERN CC(=O)N1Cc2cccnc2[C@H](C(=O)NCc2cnn(C)c2C)C1 ZINC000222629146 609701937 /nfs/dbraw/zinc/70/19/37/609701937.db2.gz ILZQJSUIKAVBCN-OAHLLOKOSA-N 0 0 327.388 0.886 10 0 ECAERN CCOC(=O)N1CCN(C(=O)c2ccc(-n3cnnc3)nc2)CC1 ZINC000223057383 609707335 /nfs/dbraw/zinc/70/73/35/609707335.db2.gz AWSQVPMHUMCMKQ-UHFFFAOYSA-N 0 0 330.348 0.577 10 0 ECAERN CN1CCN(C(=O)c2nn3c(c2Br)OCCC3)CC1 ZINC000223792571 609714433 /nfs/dbraw/zinc/71/44/33/609714433.db2.gz WARKXZJBJSYFPT-UHFFFAOYSA-N 0 0 329.198 0.816 10 0 ECAERN COCC(=O)N1C[C@H](C(=O)NCc2ccncc2)C2(C1)CCOCC2 ZINC000169756494 609744915 /nfs/dbraw/zinc/74/49/15/609744915.db2.gz LVCUCQRPSUEWAI-OAHLLOKOSA-N 0 0 347.415 0.599 10 0 ECAERN CC/C=C\CC(=O)N[C@H]1C[C@@H](C(=O)NCC)N(C(=O)c2ccon2)C1 ZINC000229997207 609763896 /nfs/dbraw/zinc/76/38/96/609763896.db2.gz ZSGFXSNEJWHAAN-HPQNNBMJSA-N 0 0 348.403 0.866 10 0 ECAERN O=C(c1ccnc(NC2CCC2)c1)N1C[C@@H](O)[C@H](n2ccnn2)C1 ZINC000912025109 609927443 /nfs/dbraw/zinc/92/74/43/609927443.db2.gz SSSNBGWWPOWXDR-ZIAGYGMSSA-N 0 0 328.376 0.696 10 0 ECAERN O=C(CN1CC[C@H](c2ccccc2)NC1=O)N1CCOC[C@H]1CO ZINC000912414848 609952799 /nfs/dbraw/zinc/95/27/99/609952799.db2.gz DQTBNWSXJQFCDE-HUUCEWRRSA-N 0 0 333.388 0.363 10 0 ECAERN O=C(CNC(=O)c1cnc(Cl)c(Cl)c1)N1CCOC[C@@H]1CO ZINC000912417521 609956677 /nfs/dbraw/zinc/95/66/77/609956677.db2.gz UUTUOSULTCEKML-VIFPVBQESA-N 0 0 348.186 0.338 10 0 ECAERN COc1ccc(N2C[C@H](C(=O)N3CCOC[C@H]3CO)CC2=O)cc1 ZINC000912426242 609957892 /nfs/dbraw/zinc/95/78/92/609957892.db2.gz CJWNNDXIWPVWAM-TZMCWYRMSA-N 0 0 334.372 0.268 10 0 ECAERN CCn1c2ccccc2n(CC(=O)NC[C@@H]2CCCO2)c(=O)c1=O ZINC000033268661 609966498 /nfs/dbraw/zinc/96/64/98/609966498.db2.gz FPXXNYLLRNGHJW-LBPRGKRZSA-N 0 0 331.372 0.478 10 0 ECAERN CO[C@H]1C[C@@H](C(=O)N[C@@H]2CCO[C@H]2c2c(C)nn(C)c2C)N(C)C1 ZINC000913086194 610037003 /nfs/dbraw/zinc/03/70/03/610037003.db2.gz JXZASYRVMNWUOU-KNCOVGOOSA-N 0 0 336.436 0.702 10 0 ECAERN COC(=O)[C@H]1CC(=O)N(CN2CCc3c(nc(C(C)C)n3C)C2)C1 ZINC000181376891 610175181 /nfs/dbraw/zinc/17/51/81/610175181.db2.gz UIAUAGQOWHUNKU-LBPRGKRZSA-N 0 0 334.420 0.881 10 0 ECAERN CCc1noc([C@H](C)N2CCN(CN3CC(=O)N(C)C3=O)CC2)n1 ZINC000182279702 610284413 /nfs/dbraw/zinc/28/44/13/610284413.db2.gz CEHTWYUONRQHPS-NSHDSACASA-N 0 0 336.396 0.162 10 0 ECAERN CN1CCO[C@@H]2CN(C(=O)Nc3ccn(-c4ccccc4)n3)C[C@H]21 ZINC000329943708 741615297 /nfs/dbraw/zinc/61/52/97/741615297.db2.gz DSVHGYPKADNLHI-HUUCEWRRSA-N 0 0 327.388 1.419 10 0 ECAERN CN(C)C(=O)[C@H]1CCCN1S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000053701147 214195775 /nfs/dbraw/zinc/19/57/75/214195775.db2.gz KTAYYFROXAQYBV-GFCCVEGCSA-N 0 0 338.389 0.098 10 0 ECAERN CCn1cc(C2CCN(C(=O)C(C)(C)NS(C)(=O)=O)CC2)cn1 ZINC000173851296 231051109 /nfs/dbraw/zinc/05/11/09/231051109.db2.gz MJJBRPAPTPCUNT-UHFFFAOYSA-N 0 0 342.465 0.937 10 0 ECAERN Cc1cc(N2CCC[C@H](NC(=O)CNC(=O)C(C)(C)C)C2=O)n(C)n1 ZINC000174994843 231362670 /nfs/dbraw/zinc/36/26/70/231362670.db2.gz NOKVGQZMUQLOKU-LBPRGKRZSA-N 0 0 349.435 0.502 10 0 ECAERN CCc1nccn1[C@@H]1CCCN(C(=O)CNS(=O)(=O)CC)C1 ZINC000130766496 529760262 /nfs/dbraw/zinc/76/02/62/529760262.db2.gz FPAQPJPBZDJVRZ-GFCCVEGCSA-N 0 0 328.438 0.548 10 0 ECAERN CNC(=O)[C@@H]1CCCN1C(=O)NCC[S@@](=O)Cc1ccccc1 ZINC000158702099 529902392 /nfs/dbraw/zinc/90/23/92/529902392.db2.gz WYFJMOWTBIQFNF-PSLXWICFSA-N 0 0 337.445 0.855 10 0 ECAERN COC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)nn(C)c2Cl)C1 ZINC000066918754 215094384 /nfs/dbraw/zinc/09/43/84/215094384.db2.gz PSWJQCSKMUCQIY-SECBINFHSA-N 0 0 335.813 0.956 10 0 ECAERN Cc1nc(C[C@H]2CCCN(C(=O)NCCN3CCOCC3)C2)no1 ZINC000103246685 219274861 /nfs/dbraw/zinc/27/48/61/219274861.db2.gz AXEMICRFPMOPJA-CQSZACIVSA-N 0 0 337.424 0.674 10 0 ECAERN O=c1c(Cl)c(N(CCO)CCO)cnn1-c1nc2ccccc2[nH]1 ZINC000040563371 213351053 /nfs/dbraw/zinc/35/10/53/213351053.db2.gz GUFGNTLBTVOSGP-UHFFFAOYSA-N 0 0 349.778 0.553 10 0 ECAERN Cc1ccc(Cl)c(OC[C@@H](O)CN2CCOC[C@@H]2C(N)=O)c1 ZINC000182633019 234700379 /nfs/dbraw/zinc/70/03/79/234700379.db2.gz GRFGYWPBFPFKTJ-WCQYABFASA-N 0 0 328.796 0.574 10 0 ECAERN CCN(CCCNc1ccc(S(N)(=O)=O)cc1)S(C)(=O)=O ZINC000038035930 213194438 /nfs/dbraw/zinc/19/44/38/213194438.db2.gz FRDLEIKINGBJDS-UHFFFAOYSA-N 0 0 335.451 0.418 10 0 ECAERN COCC(=O)NC1CN(C(=O)c2cc(C)n(-c3ccccc3)n2)C1 ZINC000186318984 235876080 /nfs/dbraw/zinc/87/60/80/235876080.db2.gz KZBKFWUMOGOSSS-UHFFFAOYSA-N 0 0 328.372 0.768 10 0 ECAERN C[C@H]1OCCC[C@@H]1C(=O)NCCNS(=O)(=O)c1cccs1 ZINC000189642621 237099679 /nfs/dbraw/zinc/09/96/79/237099679.db2.gz QPLQWIYXBVPNJF-MNOVXSKESA-N 0 0 332.447 0.958 10 0 ECAERN O=C(Nc1ccn(Cc2ccncc2)n1)C(=O)N1CCC[C@@H]1CO ZINC000189932747 237413853 /nfs/dbraw/zinc/41/38/53/237413853.db2.gz XLGYRMLYZWOZKN-CYBMUJFWSA-N 0 0 329.360 0.248 10 0 ECAERN O=c1c2cnc3nc(-c4cccnc4)nn3c2ccn1-c1nc[nH]n1 ZINC000072452327 216239788 /nfs/dbraw/zinc/23/97/88/216239788.db2.gz AWVMIYMNSRUFIX-UHFFFAOYSA-N 0 0 331.299 0.609 10 0 ECAERN C[C@@H]1COC[C@@H](C)N1C(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1 ZINC000130877307 223184552 /nfs/dbraw/zinc/18/45/52/223184552.db2.gz VOMCCYVLUBGPSD-HFAKWTLXSA-N 0 0 348.378 0.882 10 0 ECAERN CCCCOC[C@H](O)CN1CCN(c2ccc3nncn3n2)CC1 ZINC000193378543 240137663 /nfs/dbraw/zinc/13/76/63/240137663.db2.gz NBUMYLBHAFOEMG-CQSZACIVSA-N 0 0 334.424 0.424 10 0 ECAERN O=c1[nH]cc(NS(=O)(=O)c2ccc(Br)cc2)c(=O)[nH]1 ZINC000021026895 212200565 /nfs/dbraw/zinc/20/05/65/212200565.db2.gz YVMCNDRHPBNQPV-UHFFFAOYSA-N 0 0 346.162 0.627 10 0 ECAERN Nc1nnc(CNC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)s1 ZINC000020202366 212111352 /nfs/dbraw/zinc/11/13/52/212111352.db2.gz DIEOFNWFCDJCBR-MRVPVSSYSA-N 0 0 335.364 0.929 10 0 ECAERN Nc1nnc(CNC(=O)CCS(=O)(=O)c2ccccc2)s1 ZINC000020202339 212111215 /nfs/dbraw/zinc/11/12/15/212111215.db2.gz JXMIBDFIZMRONT-UHFFFAOYSA-N 0 0 326.403 0.601 10 0 ECAERN C[N@@H+](CC(=O)[O-])C[C@@H]1CN(C(=O)CCOc2ccccc2)CCO1 ZINC000262960228 245270266 /nfs/dbraw/zinc/27/02/66/245270266.db2.gz QASYDHDKZPSMQI-OAHLLOKOSA-N 0 0 336.388 0.699 10 0 ECAERN C[N@@H+](CC(=O)[O-])C[C@H]1CN(C(=O)Cc2ccc(F)c(F)c2)CCO1 ZINC000262972364 245276862 /nfs/dbraw/zinc/27/68/62/245276862.db2.gz RZFCCBGMFYKVKR-LBPRGKRZSA-N 0 0 342.342 0.751 10 0 ECAERN Cc1ccccc1C(=O)N[C@H](C(=O)N1CCN(CCO)CC1)C(C)C ZINC000078344692 217042004 /nfs/dbraw/zinc/04/20/04/217042004.db2.gz KALGXRXSWIIGTJ-KRWDZBQOSA-N 0 0 347.459 0.886 10 0 ECAERN O=C(N[C@@H](Cc1ccccc1)CN1CCOCC1)[C@H]1CNC(=O)C1 ZINC000111124107 220101829 /nfs/dbraw/zinc/10/18/29/220101829.db2.gz HEZMXAOOGCNMOX-CVEARBPZSA-N 0 0 331.416 0.182 10 0 ECAERN COCCN(C)S(=O)(=O)N1CCN(Cc2cnc(C)s2)CC1 ZINC000111345982 220141892 /nfs/dbraw/zinc/14/18/92/220141892.db2.gz NHWBUXRKHKQIDS-UHFFFAOYSA-N 0 0 348.494 0.392 10 0 ECAERN Cc1n[nH]cc1CCCNC(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000111787766 220190719 /nfs/dbraw/zinc/19/07/19/220190719.db2.gz HOHXKBAXNIWHMS-HNNXBMFYSA-N 0 0 332.408 0.958 10 0 ECAERN C[C@H]1OCCN(c2cc(-c3ccccc3)nc3ncnn32)[C@@H]1C(N)=O ZINC000450655491 211338280 /nfs/dbraw/zinc/33/82/80/211338280.db2.gz SVTLZFPOCKTVHW-ABAIWWIYSA-N 0 0 338.371 0.870 10 0 ECAERN COc1ccc(S(=O)(=O)N2CCO[C@@H](Cn3ccnc3)C2)cc1 ZINC000012143560 211305078 /nfs/dbraw/zinc/30/50/78/211305078.db2.gz GIOGJXJAAMPLNN-AWEZNQCLSA-N 0 0 337.401 0.981 10 0 ECAERN O=C(C[C@H]1C(=O)NCCN1Cc1ccccc1)N1CCC(O)CC1 ZINC000012072798 211287001 /nfs/dbraw/zinc/28/70/01/211287001.db2.gz NZHIYRZPHVBIGF-INIZCTEOSA-N 0 0 331.416 0.360 10 0 ECAERN CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1ccc2oc(C)nc2c1 ZINC000091249191 217985853 /nfs/dbraw/zinc/98/58/53/217985853.db2.gz AKMPXMIKKGRTET-GFCCVEGCSA-N 0 0 330.344 0.812 10 0 ECAERN CC(C)[C@@H](NC(=O)C1CCN(CC(N)=O)CC1)c1nc(C2CC2)no1 ZINC000091587463 218027202 /nfs/dbraw/zinc/02/72/02/218027202.db2.gz RBOULZZCWWZVIU-CQSZACIVSA-N 0 0 349.435 0.958 10 0 ECAERN COc1ccc2[nH]c(CNC(=O)C3CCN(CC(N)=O)CC3)nc2c1 ZINC000091915024 218088392 /nfs/dbraw/zinc/08/83/92/218088392.db2.gz CGJUIHDBSONVIZ-UHFFFAOYSA-N 0 0 345.403 0.385 10 0 ECAERN CCc1nn(C)c(OC)c1CNC(=O)N[C@@H]1CCCn2ncnc21 ZINC000093129734 218195524 /nfs/dbraw/zinc/19/55/24/218195524.db2.gz BUCIVJVIEGLTFD-GFCCVEGCSA-N 0 0 333.396 0.917 10 0 ECAERN CS(=O)(=O)N1C[C@@H]2COC[C@@H](C(=O)NCc3ccco3)[C@@H]2C1 ZINC000096064474 218560525 /nfs/dbraw/zinc/56/05/25/218560525.db2.gz DLSICCFHKCWUGO-RAIGVLPGSA-N 0 0 328.390 0.050 10 0 ECAERN COCCNC(=O)c1ccc(N2CCO[C@@H](Cn3cccn3)C2)nc1 ZINC000112557471 220350228 /nfs/dbraw/zinc/35/02/28/220350228.db2.gz LCWTZMHLZRMLNH-OAHLLOKOSA-N 0 0 345.403 0.560 10 0 ECAERN O=C(CNC(=O)c1cccc(Cl)c1)N[C@@H]1CCc2ncnn2C1 ZINC000112650086 220363882 /nfs/dbraw/zinc/36/38/82/220363882.db2.gz GALPLRRREVOUDP-GFCCVEGCSA-N 0 0 333.779 0.793 10 0 ECAERN CC(=O)N[C@@H](CC(=O)N[C@H]1CCc2ncnn2C1)c1ccccc1 ZINC000112653892 220365357 /nfs/dbraw/zinc/36/53/57/220365357.db2.gz FMEHMFIASVQSEK-GJZGRUSLSA-N 0 0 327.388 0.977 10 0 ECAERN O=C(N[C@H]1CCc2ncnn2C1)c1ccc(-c2ccco2)[nH]c1=O ZINC000112654810 220365564 /nfs/dbraw/zinc/36/55/64/220365564.db2.gz LAUDCKLHPSBQQT-JTQLQIEISA-N 0 0 325.328 0.971 10 0 ECAERN O=C(CNC(=O)c1cc(F)cc(F)c1)N[C@@H]1CCc2ncnn2C1 ZINC000112725248 220386531 /nfs/dbraw/zinc/38/65/31/220386531.db2.gz ZZGVEMIFAMZXHN-GFCCVEGCSA-N 0 0 335.314 0.417 10 0 ECAERN O=C(NCCCN1CCCCCC1=O)N[C@@H]1CCc2ncnn2C1 ZINC000112740634 220390857 /nfs/dbraw/zinc/39/08/57/220390857.db2.gz QJUDOEJEYMCPCU-CYBMUJFWSA-N 0 0 334.424 0.685 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)[C@@H](C)NC(=O)c1ccoc1)CC2 ZINC000114867054 220771143 /nfs/dbraw/zinc/77/11/43/220771143.db2.gz PAVBMHQKMMKRHE-PWSUYJOCSA-N 0 0 331.376 0.683 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)NCc1ccc(C(N)=O)cc1)CC2 ZINC000114931556 220785336 /nfs/dbraw/zinc/78/53/36/220785336.db2.gz HSJYTKRDLULELV-CYBMUJFWSA-N 0 0 342.403 0.754 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)Nc1cnn(CCOC)c1)CC2 ZINC000114875445 220773853 /nfs/dbraw/zinc/77/38/53/220773853.db2.gz UELNKTVRQZXTSX-NSHDSACASA-N 0 0 333.396 0.820 10 0 ECAERN C[C@@H](O)CN1CCN(C(=O)c2cccc(-c3nc[nH]n3)c2)C[C@H]1C ZINC000154365343 224243679 /nfs/dbraw/zinc/24/36/79/224243679.db2.gz WPUBGVRATDHFJF-CHWSQXEVSA-N 0 0 329.404 0.999 10 0 ECAERN CCNC(=O)NC1(C(=O)N2CCN(CCOC)[C@@H](C)C2)CCCC1 ZINC000117284346 221044152 /nfs/dbraw/zinc/04/41/52/221044152.db2.gz MFEIYIDJPHECOK-AWEZNQCLSA-N 0 0 340.468 0.797 10 0 ECAERN CNC(=O)c1cccc(CNC(=O)N2CCN(CCOC)[C@H](C)C2)c1 ZINC000117480693 221069747 /nfs/dbraw/zinc/06/97/47/221069747.db2.gz BVEBYBRYPXWDID-CQSZACIVSA-N 0 0 348.447 0.908 10 0 ECAERN CN(C)[C@H](Cc1ccccc1)C(=O)Nc1ccn(CCC(N)=O)n1 ZINC000117702501 221083531 /nfs/dbraw/zinc/08/35/31/221083531.db2.gz FMTFZUFEHKYPID-CQSZACIVSA-N 0 0 329.404 0.870 10 0 ECAERN Cc1cnn(CCNC(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)c1 ZINC000118081568 221112979 /nfs/dbraw/zinc/11/29/79/221112979.db2.gz NBKVROMIZAMSPX-ZDUSSCGKSA-N 0 0 331.380 0.030 10 0 ECAERN Cc1ccc(NC(=O)C(=O)NC[C@@H]2CN(C)CCO2)c2cccnc12 ZINC000118115191 221119571 /nfs/dbraw/zinc/11/95/71/221119571.db2.gz AELFPIDVYYJNRU-CYBMUJFWSA-N 0 0 342.399 0.929 10 0 ECAERN CN1CCO[C@H](CNC(=O)C(=O)Nc2cccc(-c3cnco3)c2)C1 ZINC000118115866 221121771 /nfs/dbraw/zinc/12/17/71/221121771.db2.gz BWSOASIIVDRVFP-CQSZACIVSA-N 0 0 344.371 0.727 10 0 ECAERN CN1CCO[C@H](CNC(=O)C(=O)Nc2ccc(F)c(Cl)c2)C1 ZINC000118115494 221121826 /nfs/dbraw/zinc/12/18/26/221121826.db2.gz UVSCDNLNZPMJQK-SNVBAGLBSA-N 0 0 329.759 0.864 10 0 ECAERN CN1CCO[C@@H](CNC(=O)C(=O)Nc2cccc(Cl)c2F)C1 ZINC000118115653 221121834 /nfs/dbraw/zinc/12/18/34/221121834.db2.gz AFHPYFQGRKSVSU-VIFPVBQESA-N 0 0 329.759 0.864 10 0 ECAERN Nc1c(N(CCO)C2CCCC2)c(=O)[nH]c(=O)n1Cc1ccccc1 ZINC000120024442 221462250 /nfs/dbraw/zinc/46/22/50/221462250.db2.gz NKRCPGIISLCVCH-UHFFFAOYSA-N 0 0 344.415 0.908 10 0 ECAERN Cc1cnc(CNC(=O)[C@@H]2CO[C@H]3CN(c4ncccn4)C[C@H]32)cn1 ZINC000253601246 257657343 /nfs/dbraw/zinc/65/73/43/257657343.db2.gz NISXUYAKTFKQFV-ZNMIVQPWSA-N 0 0 340.387 0.343 10 0 ECAERN CS(=O)(=O)N1CC[C@@H]2C[C@@H](C(=O)NCc3cccnc3)O[C@H]2C1 ZINC000247514331 257681486 /nfs/dbraw/zinc/68/14/86/257681486.db2.gz JJWVBGDUWMFQEV-RDBSUJKOSA-N 0 0 339.417 0.137 10 0 ECAERN CC(=O)NCC(=O)N1CCn2cc(CN(C)Cc3ccco3)nc2C1 ZINC000096068042 257697344 /nfs/dbraw/zinc/69/73/44/257697344.db2.gz MSEBNVHDWDMHCT-UHFFFAOYSA-N 0 0 345.403 0.586 10 0 ECAERN CS(=O)(=O)CCNC(=O)N1C[C@H](O)C[C@H]1c1cc(F)ccc1F ZINC000178680101 533358040 /nfs/dbraw/zinc/35/80/40/533358040.db2.gz QKEUXNQTFQOGMT-MFKMUULPSA-N 0 0 348.371 0.827 10 0 ECAERN CNS(=O)(=O)CC(=O)N1C[C@H](c2ccccc2)OCC1(C)C ZINC000083087940 296628440 /nfs/dbraw/zinc/62/84/40/296628440.db2.gz WCENTOFAMHSPAJ-CYBMUJFWSA-N 0 0 326.418 0.914 10 0 ECAERN O=C(NCCn1cccn1)[C@@H]1CCC[C@@H]1C(=O)NCCn1cccn1 ZINC000137788896 296680989 /nfs/dbraw/zinc/68/09/89/296680989.db2.gz VNOPHLBLVSVEAN-GASCZTMLSA-N 0 0 344.419 0.429 10 0 ECAERN CN(CCc1ccccn1)C(=O)CNC(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000077808321 164609960 /nfs/dbraw/zinc/60/99/60/164609960.db2.gz CXIPQIFUHJIPCI-HOCLYGCPSA-N 0 0 348.447 0.933 10 0 ECAERN CCCCN(C)S(=O)(=O)N[C@@H]1CCCn2nc(COC)nc21 ZINC000129442463 164686644 /nfs/dbraw/zinc/68/66/44/164686644.db2.gz XXBLHINVBZLXTP-LLVKDONJSA-N 0 0 331.442 0.826 10 0 ECAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)CCN1C(=O)CCC1=O)CC2 ZINC000133826536 164706026 /nfs/dbraw/zinc/70/60/26/164706026.db2.gz JNTNTUNDTIEINY-LLVKDONJSA-N 0 0 333.392 0.372 10 0 ECAERN Cc1csc([C@@H]2CCCN(C(=O)C(=O)NCC(=O)N(C)C)C2)n1 ZINC000154140997 164761277 /nfs/dbraw/zinc/76/12/77/164761277.db2.gz PZBKZAZCGPMCNW-LLVKDONJSA-N 0 0 338.433 0.362 10 0 ECAERN O=C(NCCCOCC1CCOCC1)N[C@H]1CCc2ncnn2C1 ZINC000155356494 164772814 /nfs/dbraw/zinc/77/28/14/164772814.db2.gz MUACRZHPULVJKC-AWEZNQCLSA-N 0 0 337.424 0.725 10 0 ECAERN C[C@@H]1CN(S(=O)(=O)N2CCC(c3ccnn3C)CC2)C[C@@H](C)O1 ZINC000159311521 164797617 /nfs/dbraw/zinc/79/76/17/164797617.db2.gz LHKDUJVVAOVJKT-CHWSQXEVSA-N 0 0 342.465 0.954 10 0 ECAERN Cc1nc2n(n1)C[C@@H](NC(=O)c1cccc3c1OCC(=O)N3)CC2 ZINC000171498528 164831834 /nfs/dbraw/zinc/83/18/34/164831834.db2.gz NAMTWFLPZRZGDN-JTQLQIEISA-N 0 0 327.344 0.662 10 0 ECAERN CCCCOCCNC(=O)CN1CCO[C@H](c2nnc(C)[nH]2)C1 ZINC000173675613 164858925 /nfs/dbraw/zinc/85/89/25/164858925.db2.gz DXRVZXSLQMLIME-ZDUSSCGKSA-N 0 0 325.413 0.419 10 0 ECAERN CCOC(=O)C1(C(=O)N2CCCN(Cc3noc(C)n3)CC2)CC1 ZINC000174774462 164874716 /nfs/dbraw/zinc/87/47/16/164874716.db2.gz XEPNWJATYCBMBE-UHFFFAOYSA-N 0 0 336.392 0.756 10 0 ECAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)NCC(=O)N1CCOCC1 ZINC000181853192 164948446 /nfs/dbraw/zinc/94/84/46/164948446.db2.gz RZEAFKVPJSMDIJ-CQSZACIVSA-N 0 0 349.435 0.742 10 0 ECAERN COCCCCS(=O)(=O)N1CCN([C@@H](C)c2nc(C)no2)CC1 ZINC000184563718 164963897 /nfs/dbraw/zinc/96/38/97/164963897.db2.gz FSECXZNQUXKCRB-LBPRGKRZSA-N 0 0 346.453 0.813 10 0 ECAERN CCO[C@@H]1C[C@H](NC(=O)c2cc(C(N)=O)cn2C)C12CCOCC2 ZINC000187075488 164988042 /nfs/dbraw/zinc/98/80/42/164988042.db2.gz FWAJEZPNGARQFT-UONOGXRCSA-N 0 0 335.404 0.828 10 0 ECAERN O=C(Nc1ccc2n[nH]cc2c1)C(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188015363 164993203 /nfs/dbraw/zinc/99/32/03/164993203.db2.gz BOMGWWRZZGZCJV-UHFFFAOYSA-N 0 0 341.371 0.629 10 0 ECAERN CC(C)[C@H](NC(=O)C(=O)Nc1cccc(-c2cnco2)c1)C(N)=O ZINC000189536772 165011849 /nfs/dbraw/zinc/01/18/49/165011849.db2.gz OXUKDJSCWGDLCY-ZDUSSCGKSA-N 0 0 330.344 0.906 10 0 ECAERN CC(=O)NC1CN(C(=O)N[C@H]2CCCN(c3ccccc3)C2=O)C1 ZINC000190110171 165017941 /nfs/dbraw/zinc/01/79/41/165017941.db2.gz IYPYTFUXCDCDGP-HNNXBMFYSA-N 0 0 330.388 0.712 10 0 ECAERN CC(=O)NC1CN(C(=O)N[C@@H]2CCCN(c3ccccc3)C2=O)C1 ZINC000190110154 165018292 /nfs/dbraw/zinc/01/82/92/165018292.db2.gz IYPYTFUXCDCDGP-OAHLLOKOSA-N 0 0 330.388 0.712 10 0 ECAERN C[C@@H]1C(=O)NCCCN1C(=O)C(=O)Nc1ccnn1-c1ccccc1 ZINC000190683030 165023728 /nfs/dbraw/zinc/02/37/28/165023728.db2.gz BEZPCESNMGMQER-GFCCVEGCSA-N 0 0 341.371 0.548 10 0 ECAERN C[C@H]1C(=O)NCCCN1S(=O)(=O)c1ccc2c(c1)oc(=O)n2C ZINC000190982850 165027143 /nfs/dbraw/zinc/02/71/43/165027143.db2.gz LGNBEMDNSVTEED-VIFPVBQESA-N 0 0 339.373 0.031 10 0 ECAERN C[C@@H]1C(=O)NCCCN1C(=O)NCC(=O)N(C)Cc1ccccc1 ZINC000191243709 165030173 /nfs/dbraw/zinc/03/01/73/165030173.db2.gz STKMUSOSHGZNCI-CYBMUJFWSA-N 0 0 332.404 0.565 10 0 ECAERN CCCNC(=O)CCNC(=O)N1CCO[C@@H](c2cnn(CC)c2)C1 ZINC000191480141 165032877 /nfs/dbraw/zinc/03/28/77/165032877.db2.gz BMUDBSDCOJENLE-CQSZACIVSA-N 0 0 337.424 0.902 10 0 ECAERN CCS(=O)(=O)c1ccccc1C(=O)NC[C@@H]1CN(C)CCO1 ZINC000194614652 165068371 /nfs/dbraw/zinc/06/83/71/165068371.db2.gz IBENLKNXWYFEFU-GFCCVEGCSA-N 0 0 326.418 0.541 10 0 ECAERN CN1CCO[C@H](CNC(=O)Cc2csc(N3CCCC3=O)n2)C1 ZINC000194612364 165068631 /nfs/dbraw/zinc/06/86/31/165068631.db2.gz MTSKGTDIRJQPLG-GFCCVEGCSA-N 0 0 338.433 0.259 10 0 ECAERN CN1CCO[C@H](CNC(=O)CCCNC(=O)c2ccc(F)cc2)C1 ZINC000194602727 165069763 /nfs/dbraw/zinc/06/97/63/165069763.db2.gz GQZASLCGAPEZFS-OAHLLOKOSA-N 0 0 337.395 0.783 10 0 ECAERN Cc1nc2ncnn2c(C)c1CCC(=O)NC[C@H]1CN(C)CCO1 ZINC000194750242 165071990 /nfs/dbraw/zinc/07/19/90/165071990.db2.gz JKHCFYDHBGOQOH-ZDUSSCGKSA-N 0 0 332.408 0.121 10 0 ECAERN CC[C@@H]1CCCCN1C(=O)CS(=O)(=O)Cc1nnnn1C(C)C ZINC000195427603 165082011 /nfs/dbraw/zinc/08/20/11/165082011.db2.gz XFAXCCZCUNLFMB-GFCCVEGCSA-N 0 0 343.453 0.960 10 0 ECAERN CCCC(=O)N[C@@H]1CCCN([C@H](C)c2nc(N)nc(N(C)C)n2)C1 ZINC000245202430 165102451 /nfs/dbraw/zinc/10/24/51/165102451.db2.gz YZQYKJIKGKTCHZ-VXGBXAGGSA-N 0 0 335.456 0.962 10 0 ECAERN CCN1CCO[C@H](C(=O)N[C@H]2CCCN(c3cc(C)nn3C)C2=O)C1 ZINC000245421448 165105302 /nfs/dbraw/zinc/10/53/02/165105302.db2.gz HYXMHNQUQVZVBA-KBPBESRZSA-N 0 0 349.435 0.061 10 0 ECAERN C[C@H](O)CN1CCN(C(=O)c2cccc(-c3nc[nH]n3)c2)C[C@H]1C ZINC000245735566 165113886 /nfs/dbraw/zinc/11/38/86/165113886.db2.gz WPUBGVRATDHFJF-OLZOCXBDSA-N 0 0 329.404 0.999 10 0 ECAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@H]1CCCn2ncnc21 ZINC000246104674 165123549 /nfs/dbraw/zinc/12/35/49/165123549.db2.gz IUOBGVAOVPPGFM-NWDGAFQWSA-N 0 0 341.437 0.433 10 0 ECAERN CNc1cc(N2CCC[C@@H]2CNC(=O)N[C@@H](C)[C@H](C)CO)ncn1 ZINC000246320216 165131579 /nfs/dbraw/zinc/13/15/79/165131579.db2.gz NZLCDDWYBNOJGT-FRRDWIJNSA-N 0 0 336.440 0.803 10 0 ECAERN CN1CCO[C@H](CNC(=O)N[C@@H](CO)Cc2c[nH]c3ccccc23)C1 ZINC000246487928 165135767 /nfs/dbraw/zinc/13/57/67/165135767.db2.gz RZNNRAXFDGEMPI-HUUCEWRRSA-N 0 0 346.431 0.701 10 0 ECAERN C[C@@H]1CN([C@H](CNC(=O)[C@@H]2CNC(=O)C2)c2cccs2)CCO1 ZINC000246999603 165150163 /nfs/dbraw/zinc/15/01/63/165150163.db2.gz RBHKUOVGIWWQSM-FRRDWIJNSA-N 0 0 337.445 0.762 10 0 ECAERN CC[C@H](C)NC(=O)[C@@H](C)NC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000247214668 165155465 /nfs/dbraw/zinc/15/54/65/165155465.db2.gz VOJMYVOMMDMFBS-BFHYXJOUSA-N 0 0 326.441 0.406 10 0 ECAERN CCOCCN1CCN([C@H](C)C(=O)NC(=O)NC(C)C)C[C@@H]1C ZINC000247393791 165159913 /nfs/dbraw/zinc/15/99/13/165159913.db2.gz XKVIUXQHUHDGSF-UONOGXRCSA-N 0 0 328.457 0.652 10 0 ECAERN COCCCNC(=O)[C@@H](C)N1CCCN(c2ccc(C)nn2)CC1 ZINC000247386359 165161293 /nfs/dbraw/zinc/16/12/93/165161293.db2.gz WMZRYIGKRWLHGC-OAHLLOKOSA-N 0 0 335.452 0.838 10 0 ECAERN Cc1ccc(Cl)c(OC[C@H](O)CN2CCOC[C@H]2C(N)=O)c1 ZINC000248551389 165178747 /nfs/dbraw/zinc/17/87/47/165178747.db2.gz GRFGYWPBFPFKTJ-YPMHNXCESA-N 0 0 328.796 0.574 10 0 ECAERN CC[C@@H]1CCCC[C@@H]1OCC(=O)NC[C@@H](O)CN1CCOCC1 ZINC000248614166 165181410 /nfs/dbraw/zinc/18/14/10/165181410.db2.gz HTDVGRGVXZNRGK-OAGGEKHMSA-N 0 0 328.453 0.781 10 0 ECAERN CCn1cc([C@@H]2CN([C@H](C)C(=O)NC(=O)NC3CC3)CCO2)cn1 ZINC000248697419 165184539 /nfs/dbraw/zinc/18/45/39/165184539.db2.gz CTZJPGKWZVGRLC-RISCZKNCSA-N 0 0 335.408 0.653 10 0 ECAERN NC(=O)[C@H](c1ccc(Br)cc1F)N1C[C@@H](O)C[C@@H]1CO ZINC000249360271 165195531 /nfs/dbraw/zinc/19/55/31/165195531.db2.gz SKASHQJFEHJTEF-PTRXPTGYSA-N 0 0 347.184 0.542 10 0 ECAERN O=C(CN1CCO[C@@H]2CCCC[C@H]21)N1CCN(c2cnccn2)CC1 ZINC000249742940 165202439 /nfs/dbraw/zinc/20/24/39/165202439.db2.gz KCMMXLUUACOSMU-HZPDHXFCSA-N 0 0 345.447 0.769 10 0 ECAERN COCC(=O)NC1CN(C(=O)NC[C@H]2[C@@H]3c4ccccc4C[C@H]23)C1 ZINC000251676395 165205486 /nfs/dbraw/zinc/20/54/86/165205486.db2.gz MNQDHHNGEIKXLK-BFYDXBDKSA-N 0 0 329.400 0.729 10 0 ECAERN CN(C(=O)[C@H]1CCCN(C(N)=O)C1)[C@H]1CCCN(c2cccnn2)C1 ZINC000252449956 165207978 /nfs/dbraw/zinc/20/79/78/165207978.db2.gz PYKRHCITWCIFPI-KBPBESRZSA-N 0 0 346.435 0.695 10 0 ECAERN CC[C@H]1CN(C(=O)NC[C@H]2CN(C)CCO2)CCN1CC(F)F ZINC000252736492 165208581 /nfs/dbraw/zinc/20/85/81/165208581.db2.gz WWTMPAZRSGMLJS-STQMWFEESA-N 0 0 334.411 0.688 10 0 ECAERN CS(=O)(=O)Nc1cccc(NC(=O)[C@@H]([NH3+])C2CCOCC2)c1 ZINC000261636641 165218911 /nfs/dbraw/zinc/21/89/11/165218911.db2.gz DFIMPVPCGLFVFS-ZDUSSCGKSA-N 0 0 327.406 0.751 10 0 ECAERN CN(Cc1ccccc1)C(=O)N1CCN(Cc2noc(CN)n2)CC1 ZINC000261894935 165259951 /nfs/dbraw/zinc/25/99/51/165259951.db2.gz ARZUWUGHTJGVRY-UHFFFAOYSA-N 0 0 344.419 0.898 10 0 ECAERN NCc1nc(CN2CCN(CC(=O)Nc3ccccc3)CC2)no1 ZINC000262161745 165301814 /nfs/dbraw/zinc/30/18/14/165301814.db2.gz GYSHMETVWDCWNY-UHFFFAOYSA-N 0 0 330.392 0.285 10 0 ECAERN CN[C@H](C(=O)Nc1ccc(NS(C)(=O)=O)cc1)c1cnn(C)c1 ZINC000262209050 165308783 /nfs/dbraw/zinc/30/87/83/165308783.db2.gz NWVJOYVSBHEIOP-ZDUSSCGKSA-N 0 0 337.405 0.691 10 0 ECAERN C[N@@H+](CC(=O)[O-])C[C@H]1CN(C(=O)c2n[nH]c3ccccc32)CCO1 ZINC000262900006 165398956 /nfs/dbraw/zinc/39/89/56/165398956.db2.gz IAFLKILHQUGKJI-NSHDSACASA-N 0 0 332.360 0.420 10 0 ECAERN Cc1nccn1-c1cncc(N2CCN(c3cnn(C)c3)C(=O)C2)n1 ZINC000301859711 296892195 /nfs/dbraw/zinc/89/21/95/296892195.db2.gz DEMISAHXFLWDTA-UHFFFAOYSA-N 0 0 338.375 0.557 10 0 ECAERN Cc1cnc(NC(=O)C(=O)N2CCO[C@H](Cn3cccn3)C2)s1 ZINC000123947904 222355865 /nfs/dbraw/zinc/35/58/65/222355865.db2.gz WLOOJMSAIXRVAH-NSHDSACASA-N 0 0 335.389 0.514 10 0 ECAERN O=C(CCCNC(=O)c1cccnc1)N[C@@H]1CCCn2ncnc21 ZINC000126287749 263146218 /nfs/dbraw/zinc/14/62/18/263146218.db2.gz NGOKTIZMVODAFH-CYBMUJFWSA-N 0 0 328.376 0.834 10 0 ECAERN CCCN(C)c1ccc(C(=O)NC[C@H](O)CN2CCOCC2)cc1 ZINC000128101523 263146334 /nfs/dbraw/zinc/14/63/34/263146334.db2.gz OPBYBBXDNDDCJQ-KRWDZBQOSA-N 0 0 335.448 0.956 10 0 ECAERN CCN(CC)C(=O)[C@H]1CCCN1C(=O)NCCCN1CCOCC1 ZINC000173271703 263148211 /nfs/dbraw/zinc/14/82/11/263148211.db2.gz YKGQUOUTEFJBKD-OAHLLOKOSA-N 0 0 340.468 0.751 10 0 ECAERN CCC(CC)N1C[C@@H](C(=O)NC[C@@H](C)N2CCOCC2)CC1=O ZINC000192491289 263165501 /nfs/dbraw/zinc/16/55/01/263165501.db2.gz ATJRDQSJGIOTFL-KGLIPLIRSA-N 0 0 325.453 0.860 10 0 ECAERN C[C@H]1NC(=O)CC[C@@H]1NS(=O)(=O)c1cncc(Br)c1 ZINC000282523583 264048958 /nfs/dbraw/zinc/04/89/58/264048958.db2.gz LYPFDNZTDABDKU-XCBNKYQSSA-N 0 0 348.222 0.790 10 0 ECAERN Cn1cc([C@@H]2CN(C(=O)C(F)(F)C3(O)CCCC3)C[C@H]2CO)cn1 ZINC000284409574 264209553 /nfs/dbraw/zinc/20/95/53/264209553.db2.gz BMFBYIBGRKUYPA-STQMWFEESA-N 0 0 343.374 0.895 10 0 ECAERN Cn1cc(Br)cc1C(=O)N1CCC[C@@](O)(C(N)=O)C1 ZINC000285311918 264301456 /nfs/dbraw/zinc/30/14/56/264301456.db2.gz KEEZWVSWIYUMFQ-LBPRGKRZSA-N 0 0 330.182 0.240 10 0 ECAERN Cn1cc(Br)cc1C(=O)N1CCC[C@](O)(C(N)=O)C1 ZINC000285311913 264301668 /nfs/dbraw/zinc/30/16/68/264301668.db2.gz KEEZWVSWIYUMFQ-GFCCVEGCSA-N 0 0 330.182 0.240 10 0 ECAERN NC(=O)[C@]1(O)CCCN(C(=O)c2sccc2Br)C1 ZINC000285371194 264307502 /nfs/dbraw/zinc/30/75/02/264307502.db2.gz FIUKXBWQQVQPBR-NSHDSACASA-N 0 0 333.207 0.963 10 0 ECAERN NC(=O)[C@@]1(O)CCCN(C(=O)c2sccc2Br)C1 ZINC000285371191 264307614 /nfs/dbraw/zinc/30/76/14/264307614.db2.gz FIUKXBWQQVQPBR-LLVKDONJSA-N 0 0 333.207 0.963 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)[C@H]2CC(c3cccnc3)=NO2)CC1 ZINC000191389017 276596688 /nfs/dbraw/zinc/59/66/88/276596688.db2.gz ALLITFVDJSEBHJ-GOEBONIOSA-N 0 0 332.404 0.490 10 0 ECAERN CC(C)[C@@H]1C(=O)NCCN1C(=O)N[C@@H](C)c1nnc2n1CCCC2 ZINC000121385572 277768612 /nfs/dbraw/zinc/76/86/12/277768612.db2.gz PMUIBKGNXDOIEJ-WCQYABFASA-N 0 0 334.424 0.841 10 0 ECAERN C=CC(=O)NCCNC(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(F)cc1 ZINC000179363916 277818624 /nfs/dbraw/zinc/81/86/24/277818624.db2.gz VOEAUAQYESUHML-BBRMVZONSA-N 0 0 333.363 0.764 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)C(=O)Nc2ccc(F)cc2C)CC1 ZINC000189452500 437600188 /nfs/dbraw/zinc/60/01/88/437600188.db2.gz XNYMNIOXGIMXSN-AWEZNQCLSA-N 0 0 337.395 0.988 10 0 ECAERN Cc1cccc(CN2CCN3C(=O)[C@@H]4CSCN4C(=O)[C@H]3C2)n1 ZINC000014536024 281216978 /nfs/dbraw/zinc/21/69/78/281216978.db2.gz GVSUPCFKOOPKHR-KGLIPLIRSA-N 0 0 332.429 0.318 10 0 ECAERN COCCn1ccc(C(=O)N2CCO[C@@H](Cn3cc(C)cn3)C2)n1 ZINC000189787613 437611398 /nfs/dbraw/zinc/61/13/98/437611398.db2.gz OTUPMCTZUTXRFY-CQSZACIVSA-N 0 0 333.392 0.576 10 0 ECAERN CCS(=O)(=O)N1CC(CNC(=O)N(C)Cc2csc(C)n2)C1 ZINC000333485511 297137344 /nfs/dbraw/zinc/13/73/44/297137344.db2.gz UAYWTSSECZAOAB-UHFFFAOYSA-N 0 0 346.478 0.874 10 0 ECAERN COC[C@@H]1C[C@@H](OC)CN1CCNS(=O)(=O)c1ccccc1 ZINC000344366308 298010354 /nfs/dbraw/zinc/01/03/54/298010354.db2.gz LUYNKVHRPHYCEX-UONOGXRCSA-N 0 0 328.434 0.701 10 0 ECAERN CO[C@H]1C[C@@H](CO)N(C(=O)Cc2cc[nH]c(=O)c2Br)C1 ZINC000345526121 298167266 /nfs/dbraw/zinc/16/72/66/298167266.db2.gz SOZQMDSCPAZHTI-UWVGGRQHSA-N 0 0 345.193 0.700 10 0 ECAERN CO[C@@H]1[C@H](C)[C@H](NC(=O)[C@H]2C[C@H](OC)CN2S(C)(=O)=O)C1(C)C ZINC000365541638 300458638 /nfs/dbraw/zinc/45/86/38/300458638.db2.gz UTOLWWYLDLUUCP-RXGFPQBGSA-N 0 0 348.465 0.211 10 0 ECAERN C[C@@H]1CN(S(=O)(=O)N2CCO[C@@H](c3cnn(C)c3)C2)C[C@H](C)O1 ZINC000365883998 300493072 /nfs/dbraw/zinc/49/30/72/300493072.db2.gz NRTQOJDWHMXUIT-MBNYWOFBSA-N 0 0 344.437 0.147 10 0 ECAERN CN(C)CCNC(=O)c1nn(C)c2c1CS(=O)(=O)c1ccccc1-2 ZINC000006839597 436006607 /nfs/dbraw/zinc/00/66/07/436006607.db2.gz HTMLNULRYMUFRU-UHFFFAOYSA-N 0 0 348.428 0.666 10 0 ECAERN NC(=O)[C@H]1CCCN1S(=O)(=O)c1cc2oc(=O)[nH]c2cc1Cl ZINC000072307537 436042568 /nfs/dbraw/zinc/04/25/68/436042568.db2.gz PRXSRVOFRGYLJN-MRVPVSSYSA-N 0 0 345.764 0.413 10 0 ECAERN CN(C)C(=O)[C@H]1CCCN1C(=O)Nc1cnn(-c2ncccn2)c1 ZINC000072562921 436049568 /nfs/dbraw/zinc/04/95/68/436049568.db2.gz IHRFQFCRRPGTFT-GFCCVEGCSA-N 0 0 329.364 0.747 10 0 ECAERN CC(=O)OC[C@@H]1O[C@H](OC(C)=O)C[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000014961680 436075406 /nfs/dbraw/zinc/07/54/06/436075406.db2.gz KLEORKVJPIJWNG-RFGFWPKPSA-N 0 0 332.305 0.091 10 0 ECAERN C[C@]1(C2CC2)NC(=O)N(CC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)C1=O ZINC000372782430 301029177 /nfs/dbraw/zinc/02/91/77/301029177.db2.gz QVYHLALZUDXNRS-FSPWUOQZSA-N 0 0 349.431 0.861 10 0 ECAERN NC(=O)[C@@]1(O)CCCN(C(=O)[C@@H]2COc3ccc(Cl)cc3C2)C1 ZINC000375675276 301196919 /nfs/dbraw/zinc/19/69/19/301196919.db2.gz LKHMRXLCHUMMGR-MEDUHNTESA-N 0 0 338.791 0.730 10 0 ECAERN Cc1nnnn1-c1cc(NC(=O)C(=O)N[C@@H](C)C2CC2)ccc1F ZINC000076095360 436191542 /nfs/dbraw/zinc/19/15/42/436191542.db2.gz JMDIJERWDVJQSL-QMMMGPOBSA-N 0 0 332.339 0.963 10 0 ECAERN Cc1nnsc1C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000040215491 436262136 /nfs/dbraw/zinc/26/21/36/436262136.db2.gz ZJFUUBSAJOUAAS-ZETCQYMHSA-N 0 0 326.403 0.985 10 0 ECAERN CN(CCc1ccccn1)C(=O)CNC(=O)N[C@@H]1CCCC[C@H]1CO ZINC000081491642 436348292 /nfs/dbraw/zinc/34/82/92/436348292.db2.gz HVDWUNMLBOJBJJ-GOEBONIOSA-N 0 0 348.447 0.933 10 0 ECAERN C[C@@H]1CN(C(=O)C(=O)Nc2cccnc2-n2cccn2)C[C@@H](C)O1 ZINC000080202183 436314055 /nfs/dbraw/zinc/31/40/55/436314055.db2.gz DYVVIAUDCPGGDT-VXGBXAGGSA-N 0 0 329.360 0.842 10 0 ECAERN C[C@@H](NC(=O)CNS(=O)(=O)c1cnn(C)c1)c1cccs1 ZINC000047046137 436409751 /nfs/dbraw/zinc/40/97/51/436409751.db2.gz ZOBZMYKKZQQZCE-SECBINFHSA-N 0 0 328.419 0.637 10 0 ECAERN CCCc1cc(NC(=O)NC[C@@H](O)CN2CCOCC2)n(C)n1 ZINC000091094938 436441724 /nfs/dbraw/zinc/44/17/24/436441724.db2.gz SOEXILHTCOJCBO-CYBMUJFWSA-N 0 0 325.413 0.187 10 0 ECAERN Cc1nc(-c2cnn(C)c2)sc1C(=O)N1CCOC[C@@H]1C(N)=O ZINC000091778693 436458398 /nfs/dbraw/zinc/45/83/98/436458398.db2.gz ZSJUWHZBFBXWJS-SNVBAGLBSA-N 0 0 335.389 0.178 10 0 ECAERN NC(=O)[C@H]1COCCN1C(=O)CCOc1ccc(F)cc1Cl ZINC000091782091 436460358 /nfs/dbraw/zinc/46/03/58/436460358.db2.gz NEAAOGDMRSUMKM-LLVKDONJSA-N 0 0 330.743 0.961 10 0 ECAERN CC(C)c1n[nH]c(C(=O)N2CCOC[C@H]2C(N)=O)c1Br ZINC000091782956 436460854 /nfs/dbraw/zinc/46/08/54/436460854.db2.gz JHQCQFDCKJUOGD-ZETCQYMHSA-N 0 0 345.197 0.622 10 0 ECAERN NC(=O)[C@H]1COCCN1Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000092229630 436468869 /nfs/dbraw/zinc/46/88/69/436468869.db2.gz ABNJRQXFNFHEAR-SECBINFHSA-N 0 0 334.401 0.159 10 0 ECAERN COc1cc(-c2noc(CN3CCOC[C@H]3C(N)=O)n2)ccc1C ZINC000092230241 436469066 /nfs/dbraw/zinc/46/90/66/436469066.db2.gz OJIFIMOYIAYXLY-LBPRGKRZSA-N 0 0 332.360 0.740 10 0 ECAERN COCCCNC(=O)[C@H](C)N1CCCN(c2ccc(C)nn2)CC1 ZINC000105801347 436577998 /nfs/dbraw/zinc/57/79/98/436577998.db2.gz WMZRYIGKRWLHGC-HNNXBMFYSA-N 0 0 335.452 0.838 10 0 ECAERN CCN(CC)C(=O)CN1CCN(C[C@H](O)COC(C)(C)C)CC1 ZINC000053432764 436532455 /nfs/dbraw/zinc/53/24/55/436532455.db2.gz FGGJMJOWHRXGPR-HNNXBMFYSA-N 0 0 329.485 0.648 10 0 ECAERN CN1CCO[C@@H](CNC(=O)NCc2nncn2-c2ccccc2)C1 ZINC000104790034 436563351 /nfs/dbraw/zinc/56/33/51/436563351.db2.gz CTYRTELPEKHBOG-AWEZNQCLSA-N 0 0 330.392 0.397 10 0 ECAERN CCOc1ccnc(N2CCN(C(=O)CCc3nc(C)no3)CC2)n1 ZINC000105819930 436579879 /nfs/dbraw/zinc/57/98/79/436579879.db2.gz ZBRCYKJIAOTUQP-UHFFFAOYSA-N 0 0 346.391 0.848 10 0 ECAERN NC(=O)NC(=O)CN1CCN(Cc2cnn(-c3ccccc3)c2)CC1 ZINC000105865574 436581835 /nfs/dbraw/zinc/58/18/35/436581835.db2.gz UTQKKUSBTKTUAO-UHFFFAOYSA-N 0 0 342.403 0.185 10 0 ECAERN CN(C(=O)CN1CCN(C[C@H](O)COc2ccccc2)CC1)C1CC1 ZINC000105894415 436585424 /nfs/dbraw/zinc/58/54/24/436585424.db2.gz JHVQZCAHMPJLGE-KRWDZBQOSA-N 0 0 347.459 0.665 10 0 ECAERN Cc1cnn([C@H]2CCCN(CC(=O)NCCCN3CCCC3=O)C2)c1 ZINC000105900616 436585694 /nfs/dbraw/zinc/58/56/94/436585694.db2.gz IZKMAPYCHYPIPV-INIZCTEOSA-N 0 0 347.463 0.957 10 0 ECAERN C[C@H](CNC(=O)NCC(=O)N(C)Cc1ccccc1)N1CCOCC1 ZINC000056927398 436599627 /nfs/dbraw/zinc/59/96/27/436599627.db2.gz CVKDEIVQWKHUSF-OAHLLOKOSA-N 0 0 348.447 0.665 10 0 ECAERN CCC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCc3ncnn3C2)cc1 ZINC000113299174 436636985 /nfs/dbraw/zinc/63/69/85/436636985.db2.gz JZANLAUTYKKJRR-LBPRGKRZSA-N 0 0 349.416 0.920 10 0 ECAERN CCc1nnc([C@@H]2CN(C(=O)NC[C@@H](C)Cn3cccn3)CCO2)[nH]1 ZINC000137224266 436657248 /nfs/dbraw/zinc/65/72/48/436657248.db2.gz VPUIRHFJHZKXAE-OLZOCXBDSA-N 0 0 347.423 0.983 10 0 ECAERN COC(=O)c1cc2n(n1)CCN(c1nccc(N3CC[C@H](O)C3)n1)C2 ZINC000065398849 436658156 /nfs/dbraw/zinc/65/81/56/436658156.db2.gz XVCJVNJAANOVSC-LBPRGKRZSA-N 0 0 344.375 0.051 10 0 ECAERN COC(CNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)OC ZINC000224077343 436709257 /nfs/dbraw/zinc/70/92/57/436709257.db2.gz TZQLEERJKQDHFQ-KWBADKCTSA-N 0 0 331.438 0.447 10 0 ECAERN [O-][N+]1=C2CCc3nonc3[C@]2(O)[C@H]2CCCC[C@@]21N1CCOCC1 ZINC000225396992 436710085 /nfs/dbraw/zinc/71/00/85/436710085.db2.gz ZNUCGWWTSCYLAA-RCBQFDQVSA-N 0 0 335.384 0.278 10 0 ECAERN CCc1nnc([C@@H]2CN(C(=O)NCCCc3cnn(C)c3)CCO2)[nH]1 ZINC000138602756 436661597 /nfs/dbraw/zinc/66/15/97/436661597.db2.gz YQKYUWUBTXBIEE-ZDUSSCGKSA-N 0 0 347.423 0.816 10 0 ECAERN CCc1nnc(CN2CCN(Cc3nnc(CC)n3C)CC2)n1C ZINC000195009543 436677541 /nfs/dbraw/zinc/67/75/41/436677541.db2.gz WSLPXJLUXAAMBH-UHFFFAOYSA-N 0 0 332.456 0.386 10 0 ECAERN NS(=O)(=O)N1CCc2ccc(Nc3ncnc(Cl)n3)cc21 ZINC000144995036 436677720 /nfs/dbraw/zinc/67/77/20/436677720.db2.gz LHEPFSKSZSBAOP-UHFFFAOYSA-N 0 0 326.769 0.835 10 0 ECAERN COc1ccc(C(=O)N[C@H]2CCc3ncnn3C2)cc1-n1cnnn1 ZINC000120187146 436681522 /nfs/dbraw/zinc/68/15/22/436681522.db2.gz UVQFHCPHSODEHJ-NSHDSACASA-N 0 0 340.347 0.007 10 0 ECAERN CC(=O)NCCNC(=O)N1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000120183807 436682106 /nfs/dbraw/zinc/68/21/06/436682106.db2.gz GBUDRLVKYVTRGC-SMDDNHRTSA-N 0 0 327.331 0.918 10 0 ECAERN COCCN1CCN(C(=O)NCCCNC(=O)C(C)C)C[C@@H]1C ZINC000121930967 436730759 /nfs/dbraw/zinc/73/07/59/436730759.db2.gz TWUQXZIMHNZNEH-AWEZNQCLSA-N 0 0 328.457 0.511 10 0 ECAERN CC(=O)N[C@@H](C)c1nc2ccccc2n1C[C@H](O)CN1CCOCC1 ZINC000124749769 436756885 /nfs/dbraw/zinc/75/68/85/436756885.db2.gz JRJJMNZKBQMRPS-DZGCQCFKSA-N 0 0 346.431 0.927 10 0 ECAERN COc1c(CNC(=O)N2CCC[C@H](Cn3ccnn3)C2)c(C)nn1C ZINC000153773931 436764343 /nfs/dbraw/zinc/76/43/43/436764343.db2.gz OVQPIWMREGGSCI-ZDUSSCGKSA-N 0 0 347.423 0.950 10 0 ECAERN C[C@H](O)CN1CCN(CCS(=O)(=O)c2ccc(F)cc2)C[C@@H]1C ZINC000248722249 436809450 /nfs/dbraw/zinc/80/94/50/436809450.db2.gz GXVYJEJWRVNJKM-KBPBESRZSA-N 0 0 344.452 0.986 10 0 ECAERN C[C@H](O)CN1CCN(C(=O)C(=O)Nc2ccc(Cl)cn2)C[C@H]1C ZINC000248721879 436809893 /nfs/dbraw/zinc/80/98/93/436809893.db2.gz FWOTTXRAMLJMEN-MNOVXSKESA-N 0 0 340.811 0.587 10 0 ECAERN CN([C@@H]1CCCN(c2cccnn2)C1)S(=O)(=O)c1cnn(C)c1 ZINC000128407442 436815269 /nfs/dbraw/zinc/81/52/69/436815269.db2.gz SGEQLPZVTFTLOH-GFCCVEGCSA-N 0 0 336.421 0.500 10 0 ECAERN CNC(=O)[C@H]1CCCN1C(=O)NCc1ccc(-n2ccnc2C)nc1 ZINC000156450778 436816829 /nfs/dbraw/zinc/81/68/29/436816829.db2.gz ONQCROUHUNVWHT-CQSZACIVSA-N 0 0 342.403 0.996 10 0 ECAERN C[C@H](NC(=O)C(=O)Nc1cccc(-n2ccnn2)c1)[C@@H]1CCCO1 ZINC000125498765 436770963 /nfs/dbraw/zinc/77/09/63/436770963.db2.gz NTXSPOICJKPNIF-FZMZJTMJSA-N 0 0 329.360 0.890 10 0 ECAERN C[C@@H](CNC(=O)N[C@@H](C)[C@@H](O)Cc1ccccc1)N1CCOCC1 ZINC000246074071 436771994 /nfs/dbraw/zinc/77/19/94/436771994.db2.gz DPQVGNBHFRRNKX-ZOBUZTSGSA-N 0 0 335.448 0.998 10 0 ECAERN O=C(Cn1cn[nH]c1=O)N1CCC(c2nc(C(F)(F)F)c[nH]2)CC1 ZINC000154398797 436777452 /nfs/dbraw/zinc/77/74/52/436777452.db2.gz LDSRZQDJWBLROW-UHFFFAOYSA-N 0 0 344.297 0.720 10 0 ECAERN CCCCN(C)S(=O)(=O)N1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000246712301 436783749 /nfs/dbraw/zinc/78/37/49/436783749.db2.gz ZZASDHHKZZPOKH-AWEZNQCLSA-N 0 0 330.454 0.869 10 0 ECAERN C[C@H](O)CN1CCN(C(=O)C(=O)Nc2cc(F)ccc2F)C[C@H]1C ZINC000246830220 436785771 /nfs/dbraw/zinc/78/57/71/436785771.db2.gz BBBRRVJBKIUBQP-MNOVXSKESA-N 0 0 341.358 0.817 10 0 ECAERN O=C(Cn1nc2ccccn2c1=O)N1CCC[C@@H](Cn2cncn2)C1 ZINC000126834178 436793087 /nfs/dbraw/zinc/79/30/87/436793087.db2.gz MOFDLTWYLHIZBF-CYBMUJFWSA-N 0 0 341.375 0.026 10 0 ECAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)CCNC(=O)C(C)(C)C ZINC000155373772 436795290 /nfs/dbraw/zinc/79/52/90/436795290.db2.gz QPVCDLPZHYDNTG-LLVKDONJSA-N 0 0 337.424 0.928 10 0 ECAERN CC(C)[C@@H](O)CC(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 ZINC000158361568 436845790 /nfs/dbraw/zinc/84/57/90/436845790.db2.gz QPQLQNSBIAASQC-HNNXBMFYSA-N 0 0 348.447 0.644 10 0 ECAERN CCNC(=O)C(C)(C)CNC(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000131204346 436848651 /nfs/dbraw/zinc/84/86/51/436848651.db2.gz YOUQDINTNCDQLP-ZIAGYGMSSA-N 0 0 340.468 0.511 10 0 ECAERN O=C(CCCOc1cccc(F)c1)NC[C@H](O)CN1CCOCC1 ZINC000129396281 436827327 /nfs/dbraw/zinc/82/73/27/436827327.db2.gz REUANQKWPMFLSX-HNNXBMFYSA-N 0 0 340.395 0.794 10 0 ECAERN C[C@@H]1CN(C(=O)c2cnc(-c3cnn(C)c3)s2)C[C@@H](C(N)=O)O1 ZINC000157382450 436828444 /nfs/dbraw/zinc/82/84/44/436828444.db2.gz HQJJEEZJXLODCI-SCZZXKLOSA-N 0 0 335.389 0.258 10 0 ECAERN O=C(NC[C@H]1CCCC[C@@H]1O)C(=O)Nc1cnn(CC(F)F)c1 ZINC000157599428 436830165 /nfs/dbraw/zinc/83/01/65/436830165.db2.gz YGDBLEZZDOJSDI-KOLCDFICSA-N 0 0 330.335 0.754 10 0 ECAERN CN1CCN(c2cc(N[C@@H]3CCCn4ncnc43)ncn2)CC1=O ZINC000274866662 436883501 /nfs/dbraw/zinc/88/35/01/436883501.db2.gz DVZAJSMKHAPJFI-LLVKDONJSA-N 0 0 328.380 0.294 10 0 ECAERN Cc1noc(C2CC2)c1NC(=O)C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000134489353 436898214 /nfs/dbraw/zinc/89/82/14/436898214.db2.gz RJZAWQLDUUNGJL-ZDUSSCGKSA-N 0 0 348.403 0.732 10 0 ECAERN CCC(=O)N1CC[C@@H](C(=O)N2CCO[C@@H](Cn3nc(C)cc3C)C2)C1 ZINC000161895945 436898793 /nfs/dbraw/zinc/89/87/93/436898793.db2.gz OEJSHFZRLAJUKX-HZPDHXFCSA-N 0 0 348.447 0.986 10 0 ECAERN CC(C)[C@]1(C)C[C@H]1NC(=O)N1CCO[C@H](C[N@H+](C)CC(=O)[O-])C1 ZINC000263322999 436962858 /nfs/dbraw/zinc/96/28/58/436962858.db2.gz ASSAUXQMFHBULZ-IOASZLSFSA-N 0 0 327.425 0.848 10 0 ECAERN OC[C@H]1CCCN1c1cc(N2CCO[C@@H](Cn3cccn3)C2)ncn1 ZINC000170999840 436963613 /nfs/dbraw/zinc/96/36/13/436963613.db2.gz JDKZKHMPHICZEY-HUUCEWRRSA-N 0 0 344.419 0.540 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)c2ncn(-c3ccccc3)n2)C1 ZINC000263375887 436963830 /nfs/dbraw/zinc/96/38/30/436963830.db2.gz AUNSXPIHFWEPEE-UHFFFAOYSA-N 0 0 343.387 0.935 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)N2CCOC[C@H]2CCOC)C1 ZINC000263463571 436967128 /nfs/dbraw/zinc/96/71/28/436967128.db2.gz JLTGYMJBEHROIE-ROKHWSDSSA-N 0 0 343.424 0.371 10 0 ECAERN Cc1ccccc1[C@@H](CC(=O)NC[C@H]1CN(C)CCO1)NC(N)=O ZINC000171287731 436975620 /nfs/dbraw/zinc/97/56/20/436975620.db2.gz KVQSAVXQYRSDEK-DZGCQCFKSA-N 0 0 334.420 0.541 10 0 ECAERN Cc1ccccc1[C@H](CC(=O)NC[C@@H]1CN(C)CCO1)NC(N)=O ZINC000171287726 436975739 /nfs/dbraw/zinc/97/57/39/436975739.db2.gz KVQSAVXQYRSDEK-HIFRSBDPSA-N 0 0 334.420 0.541 10 0 ECAERN COC(=O)CC(=O)C(=NNc1ccc(OC)c(OC)c1)C(=O)OC ZINC000167650668 436941433 /nfs/dbraw/zinc/94/14/33/436941433.db2.gz QNZVIPPJDZASML-VKAVYKQESA-N 0 0 338.316 0.777 10 0 ECAERN O=C(NC1CCN(C(=O)c2ccoc2)CC1)[C@@H]1CC(F)(F)CN1 ZINC000263003200 436947879 /nfs/dbraw/zinc/94/78/79/436947879.db2.gz OYFQZXOYFDMFCG-LBPRGKRZSA-N 0 0 327.331 0.998 10 0 ECAERN Cn1cc(CN2CCCN(C(=O)[C@@H]3CC(F)(F)CN3)CC2)cn1 ZINC000263153320 436952895 /nfs/dbraw/zinc/95/28/95/436952895.db2.gz DFIAAHQAFUENSA-ZDUSSCGKSA-N 0 0 327.379 0.452 10 0 ECAERN O=C([C@@H]1CC(F)(F)CN1)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000263205621 436954914 /nfs/dbraw/zinc/95/49/14/436954914.db2.gz JQHDHVFEEXAJLF-QWRGUYRKSA-N 0 0 337.392 0.010 10 0 ECAERN C[N@@H+](CC(=O)[O-])C[C@H]1CN(C(=O)N[C@H]2CCCC2(C)C)CCO1 ZINC000263239450 436957413 /nfs/dbraw/zinc/95/74/13/436957413.db2.gz NNOFFXZLCONXBW-STQMWFEESA-N 0 0 327.425 0.992 10 0 ECAERN O=C(Cn1nnc(-c2ccccc2)n1)N1CC[C@@H](N2CCOCC2)C1 ZINC000172747745 437027707 /nfs/dbraw/zinc/02/77/07/437027707.db2.gz SESYOIZENCANAE-OAHLLOKOSA-N 0 0 342.403 0.273 10 0 ECAERN Cc1sc(=O)n(CC(=O)N2CC[C@@H](N3CCOCC3)C2)c1C ZINC000172753154 437027877 /nfs/dbraw/zinc/02/78/77/437027877.db2.gz WTPVYKIRJCJGPK-CYBMUJFWSA-N 0 0 325.434 0.460 10 0 ECAERN C[C@@H](COCc1ccccc1)NC(=O)c1cn(CC(=O)N(C)C)nn1 ZINC000172971337 437034055 /nfs/dbraw/zinc/03/40/55/437034055.db2.gz GNWCMMPMZPLJGS-ZDUSSCGKSA-N 0 0 345.403 0.701 10 0 ECAERN C[C@H]1NC(=O)CC[C@@H]1NC(=O)CCn1c2ccccc2n(C)c1=O ZINC000281684541 436990244 /nfs/dbraw/zinc/99/02/44/436990244.db2.gz DKEXALBZNAUYAF-NEPJUHHUSA-N 0 0 330.388 0.513 10 0 ECAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)N[C@H](C)C(=O)N(C)C)C2)n1 ZINC000172122821 436998941 /nfs/dbraw/zinc/99/89/41/436998941.db2.gz KJQAOZUXOOOXAF-BXUZGUMPSA-N 0 0 336.440 0.793 10 0 ECAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)NCCNC(=O)C3CC3)C2)n1 ZINC000172116012 436999507 /nfs/dbraw/zinc/99/95/07/436999507.db2.gz NIYIYCNMBKGOQX-AWEZNQCLSA-N 0 0 348.451 0.843 10 0 ECAERN Cc1cnn(CCNC(=O)C(=O)Nc2cc(C(N)=O)ccc2F)c1 ZINC000172312291 437008535 /nfs/dbraw/zinc/00/85/35/437008535.db2.gz HVUJVHZKRWMWBF-UHFFFAOYSA-N 0 0 333.323 0.184 10 0 ECAERN CN1CCO[C@H](CNC(=O)C(=O)Nc2cccc3cccnc32)C1 ZINC000172308499 437008847 /nfs/dbraw/zinc/00/88/47/437008847.db2.gz HGXMDHSEVBALGX-CYBMUJFWSA-N 0 0 328.372 0.620 10 0 ECAERN COCCN1CCN(C(=O)NCC(=O)N2CCCCC2)C[C@@H]1C ZINC000172325443 437011089 /nfs/dbraw/zinc/01/10/89/437011089.db2.gz WXOBTFKBTYZLKE-AWEZNQCLSA-N 0 0 326.441 0.361 10 0 ECAERN CN(C)C(=O)[C@H]1CCCN1C(=O)CNC(=O)c1cc2ccccc2[nH]1 ZINC000173172529 437040602 /nfs/dbraw/zinc/04/06/02/437040602.db2.gz MDBMDLKCTRCZCW-OAHLLOKOSA-N 0 0 342.399 0.977 10 0 ECAERN CCN1C[C@@H](C(=O)NC[C@H]2CCCN2c2cc(NC)ncn2)CC1=O ZINC000173445676 437050286 /nfs/dbraw/zinc/05/02/86/437050286.db2.gz BAVPCAOEZJJOFA-QWHCGFSZSA-N 0 0 346.435 0.472 10 0 ECAERN CC(C)c1nc([C@H]2CCCN2C(=O)CN(C)S(C)(=O)=O)no1 ZINC000173436811 437051410 /nfs/dbraw/zinc/05/14/10/437051410.db2.gz TWIHDTMZEJCJFO-SNVBAGLBSA-N 0 0 330.410 0.748 10 0 ECAERN Cc1nc(CNC(=O)N2CCN(Cc3c(C)nn(C)c3C)CC2)no1 ZINC000173566107 437056276 /nfs/dbraw/zinc/05/62/76/437056276.db2.gz LLMPLWFHRXHZPA-UHFFFAOYSA-N 0 0 347.423 0.756 10 0 ECAERN CC(C)(C)[S@](=O)CCNC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000173890831 437068635 /nfs/dbraw/zinc/06/86/35/437068635.db2.gz ZMICHLPUNPNGLV-WHEQGISXSA-N 0 0 331.482 0.650 10 0 ECAERN O=C(CNC(=O)c1cccc(F)c1)N1CC[C@@H](N2CCOCC2)C1 ZINC000173921497 437069137 /nfs/dbraw/zinc/06/91/37/437069137.db2.gz CSQWLUYVUTWZKV-OAHLLOKOSA-N 0 0 335.379 0.489 10 0 ECAERN C[C@@H](O)CN1CCN(C(=O)COCCOc2ccccc2)C[C@H]1C ZINC000174336071 437079246 /nfs/dbraw/zinc/07/92/46/437079246.db2.gz WXKBGAIPCCYMFQ-HZPDHXFCSA-N 0 0 336.432 0.996 10 0 ECAERN CCCn1cc(CN2CCCN(C(=O)[C@@H]3CN(C)CCO3)CC2)cn1 ZINC000174655590 437084867 /nfs/dbraw/zinc/08/48/67/437084867.db2.gz WHUYALBRNVPGMF-KRWDZBQOSA-N 0 0 349.479 0.658 10 0 ECAERN NC(=O)[C@H]1COCCN1CC(=O)N(Cc1ccco1)CC(F)(F)F ZINC000092228841 303334172 /nfs/dbraw/zinc/33/41/72/303334172.db2.gz QDAONDKAFXZISD-LLVKDONJSA-N 0 0 349.309 0.357 10 0 ECAERN O=C([C@H]1CCCO1)N1CCN(c2nccn3c2nnc3C2CC2)CC1 ZINC000302225392 437141061 /nfs/dbraw/zinc/14/10/61/437141061.db2.gz VHHLSPYBQHKTQJ-CYBMUJFWSA-N 0 0 342.403 0.829 10 0 ECAERN Cc1cc([C@](C)(O)CNC(=O)NC[C@@H]2CN(C)CCO2)c(C)o1 ZINC000176433165 437144225 /nfs/dbraw/zinc/14/42/25/437144225.db2.gz WEQNWOPNHARWJE-CZUORRHYSA-N 0 0 325.409 0.734 10 0 ECAERN COc1ccc(CNC(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)cn1 ZINC000175645957 437113235 /nfs/dbraw/zinc/11/32/35/437113235.db2.gz JQHUZRQGLCIWHV-UKRRQHHQSA-N 0 0 334.420 0.952 10 0 ECAERN COc1cccc(-c2noc(NC[C@H](O)CN3CCOCC3)n2)c1 ZINC000301747617 437131630 /nfs/dbraw/zinc/13/16/30/437131630.db2.gz ZGVLKWZSBGQVHZ-ZDUSSCGKSA-N 0 0 334.376 0.850 10 0 ECAERN Cc1nccn1C[C@@H]1CCCN1C(=O)NCCCN1C(=O)CCC1=O ZINC000176153153 437132896 /nfs/dbraw/zinc/13/28/96/437132896.db2.gz CXXKKTPJMHEZSK-AWEZNQCLSA-N 0 0 347.419 0.905 10 0 ECAERN CN(Cc1cnccn1)C[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000177233374 437175848 /nfs/dbraw/zinc/17/58/48/437175848.db2.gz ZZPMZRJQJNMNDH-ZDUSSCGKSA-N 0 0 326.356 0.566 10 0 ECAERN O=C(NCCNC(=O)c1ccccc1)N[C@H]1CCCn2ncnc21 ZINC000177322510 437179008 /nfs/dbraw/zinc/17/90/08/437179008.db2.gz BTSFSGHPKHNOAH-ZDUSSCGKSA-N 0 0 328.376 0.842 10 0 ECAERN O=C(NCCNC(=O)c1cccs1)N[C@H]1CCCn2ncnc21 ZINC000177356468 437181169 /nfs/dbraw/zinc/18/11/69/437181169.db2.gz XVIYUVAVPOPLGB-JTQLQIEISA-N 0 0 334.405 0.904 10 0 ECAERN O=C(NCCNC(=O)N1CCC[C@@H]1Cn1ccnc1)c1cccnc1 ZINC000177396183 437184007 /nfs/dbraw/zinc/18/40/07/437184007.db2.gz UDBVCFUCXHMSKZ-OAHLLOKOSA-N 0 0 342.403 0.882 10 0 ECAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000317566615 437193921 /nfs/dbraw/zinc/19/39/21/437193921.db2.gz OACCVEACYFFBPN-DGAVXFQQSA-N 0 0 330.450 0.420 10 0 ECAERN CCc1nccn1[C@@H]1CCCN(C(=O)C(=O)Nc2ccn(C)n2)C1 ZINC000177661619 437193899 /nfs/dbraw/zinc/19/38/99/437193899.db2.gz HCTJWCKNLSOCEM-GFCCVEGCSA-N 0 0 330.392 0.981 10 0 ECAERN Cn1cc([C@H]2CCN(C(=O)[C@H]3CC(=O)N(c4cn[nH]c4)C3)C2)cn1 ZINC000178246771 437209690 /nfs/dbraw/zinc/20/96/90/437209690.db2.gz MUEIIKCQQZVSLS-RYUDHWBXSA-N 0 0 328.376 0.512 10 0 ECAERN O=S(=O)(N1C[C@@H](CO)[C@@H](c2ccsc2)C1)N1CCOCC1 ZINC000328613457 437239887 /nfs/dbraw/zinc/23/98/87/437239887.db2.gz SAKOLRXVNJLTNS-QWHCGFSZSA-N 0 0 332.447 0.333 10 0 ECAERN CCc1nnc2n1CCN(C1CN(C(=O)C[C@H]3CCCCO3)C1)C2 ZINC000328627415 437241059 /nfs/dbraw/zinc/24/10/59/437241059.db2.gz GBSYBOOMSFNVSE-CQSZACIVSA-N 0 0 333.436 0.826 10 0 ECAERN CNC(=O)c1ccc(S(=O)(=O)NC[C@H]2CCn3ccnc3C2)cc1 ZINC000328627139 437242246 /nfs/dbraw/zinc/24/22/46/437242246.db2.gz MLAURRTZRMMHSN-LBPRGKRZSA-N 0 0 348.428 0.784 10 0 ECAERN Cn1cnnc1[C@@H]1CN(C[C@@H](O)COCc2ccccc2)CCO1 ZINC000328627834 437242503 /nfs/dbraw/zinc/24/25/03/437242503.db2.gz GPQDONYLJDHJEZ-CVEARBPZSA-N 0 0 332.404 0.766 10 0 ECAERN CCc1nnc2n1CCN(C1CN(C(=O)[C@H](C)OCC3CC3)C1)C2 ZINC000328641628 437243176 /nfs/dbraw/zinc/24/31/76/437243176.db2.gz QQSOWCKJZZHFJB-LBPRGKRZSA-N 0 0 333.436 0.682 10 0 ECAERN CNC(=O)[C@H](NC(=O)CN1CCN(c2ccccn2)CC1)C(C)C ZINC000179129056 437252900 /nfs/dbraw/zinc/25/29/00/437252900.db2.gz JUWYCYYRKMRALN-MRXNPFEDSA-N 0 0 333.436 0.090 10 0 ECAERN Cc1c(C(=O)N2CCOC[C@@H]2C(N)=O)nnn1-c1cccc(Cl)c1 ZINC000180266564 437285586 /nfs/dbraw/zinc/28/55/86/437285586.db2.gz OBWHUOPYHMNDHP-GFCCVEGCSA-N 0 0 349.778 0.555 10 0 ECAERN Cc1ccncc1NC(=O)C(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000180256633 437285979 /nfs/dbraw/zinc/28/59/79/437285979.db2.gz WBQSAOMCNOERMA-UKRRQHHQSA-N 0 0 332.404 0.508 10 0 ECAERN COCCCCS(=O)(=O)N1CCO[C@@H](Cn2nc(C)cc2C)C1 ZINC000184564203 437405116 /nfs/dbraw/zinc/40/51/16/437405116.db2.gz VWRAHVPXUNQTGX-OAHLLOKOSA-N 0 0 345.465 0.957 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)NCCCn2nc(C)cc2C)CC1 ZINC000184699341 437407435 /nfs/dbraw/zinc/40/74/35/437407435.db2.gz LJQMZHOSDBVMRV-MRXNPFEDSA-N 0 0 337.468 0.988 10 0 ECAERN COCC(=O)NC1CN(C(=O)COc2ccc(F)c(Cl)c2)C1 ZINC000185239453 437432791 /nfs/dbraw/zinc/43/27/91/437432791.db2.gz HVBSXLBKGJAGCW-UHFFFAOYSA-N 0 0 330.743 0.831 10 0 ECAERN O=C([C@H]1CC(=O)N(c2cn[nH]c2)C1)N1CCC[C@H](n2cncn2)C1 ZINC000330079201 437452883 /nfs/dbraw/zinc/45/28/83/437452883.db2.gz OCPOVMOXCMVOBH-RYUDHWBXSA-N 0 0 329.364 0.218 10 0 ECAERN COCC(=O)NC1CN(C(=O)NC[C@@H](C)N(C)c2ccccc2)C1 ZINC000188360488 437542201 /nfs/dbraw/zinc/54/22/01/437542201.db2.gz WMGTUOSHAHUIAG-CYBMUJFWSA-N 0 0 334.420 0.668 10 0 ECAERN C[C@@H]1C(=O)NCCCN1C(=O)CNC(=O)c1cc(F)cc(F)c1 ZINC000188077586 437525036 /nfs/dbraw/zinc/52/50/36/437525036.db2.gz AXKASKNGWATEKA-SECBINFHSA-N 0 0 325.315 0.432 10 0 ECAERN CC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2cnn([C@H](C)C3CC3)c2)C1 ZINC000188529446 437553390 /nfs/dbraw/zinc/55/33/90/437553390.db2.gz GNOYPCSEDVLVGF-BXUZGUMPSA-N 0 0 347.419 0.920 10 0 ECAERN CC(=O)NC1CN(S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)C1 ZINC000188551797 437555788 /nfs/dbraw/zinc/55/57/88/437555788.db2.gz OXIDSEWBXQNHJW-UHFFFAOYSA-N 0 0 344.261 0.891 10 0 ECAERN O=C(NC1CN(C(=O)NCc2nnc3n2CCCC3)C1)C1CCC1 ZINC000188811635 437571777 /nfs/dbraw/zinc/57/17/77/437571777.db2.gz KLOZZTKXRBMBBQ-UHFFFAOYSA-N 0 0 332.408 0.425 10 0 ECAERN CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1cnn([C@@H](C)C2CC2)c1 ZINC000188961076 437578647 /nfs/dbraw/zinc/57/86/47/437578647.db2.gz FFYQHPOXXXCSIA-GXFFZTMASA-N 0 0 333.392 0.530 10 0 ECAERN O=C(NC1CN(c2cc(C(F)(F)F)nc3ncnn32)C1)C1CC1 ZINC000189165816 437585270 /nfs/dbraw/zinc/58/52/70/437585270.db2.gz MBYUHRYTQMDAAS-UHFFFAOYSA-N 0 0 326.282 0.858 10 0 ECAERN CCn1cc([C@@H]2CN(C(=O)NCCNC(=O)C(C)C)CCO2)cn1 ZINC000190493912 437627497 /nfs/dbraw/zinc/62/74/97/437627497.db2.gz FBADBBOXXHJTKW-AWEZNQCLSA-N 0 0 337.424 0.758 10 0 ECAERN CCOC(=O)C1CCC(O)(C[NH+]2CCN(C[C@@H](O)CC)CC2)CC1 ZINC000190917288 437640779 /nfs/dbraw/zinc/64/07/79/437640779.db2.gz QWTLPYYEELVQJV-PQUAAJSLSA-N 0 0 342.480 0.859 10 0 ECAERN CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1ccnn1[C@H](C)C1CC1 ZINC000192054530 437665110 /nfs/dbraw/zinc/66/51/10/437665110.db2.gz UTAYSBMKBLPETH-ZYHUDNBSSA-N 0 0 333.392 0.530 10 0 ECAERN CC[C@@H]1CN(C(=O)C(=O)Nc2cc(C)cc(C)n2)CCN1C[C@@H](C)O ZINC000193471668 437708119 /nfs/dbraw/zinc/70/81/19/437708119.db2.gz BLRFBMSBRRJCGD-HUUCEWRRSA-N 0 0 348.447 0.941 10 0 ECAERN CC(C)[C@@H]1OCC[C@H]1C(=O)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000370492606 437791645 /nfs/dbraw/zinc/79/16/45/437791645.db2.gz RRZZMPOMHZVYTG-IGCXYCKISA-N 0 0 337.420 0.884 10 0 ECAERN CC(=O)N1CCC[C@](O)(C(=O)NCc2ccc3c(n2)CCCC3)C1 ZINC000347778584 437959553 /nfs/dbraw/zinc/95/95/53/437959553.db2.gz UJHCFJSKCURYQJ-GOSISDBHSA-N 0 0 331.416 0.950 10 0 ECAERN CCCC(=O)N1CCCC[C@@H]1C(=O)N1CCC[C@@](O)(C(N)=O)C1 ZINC000367570055 438222607 /nfs/dbraw/zinc/22/26/07/438222607.db2.gz DSONHMUNAIBNGO-WBMJQRKESA-N 0 0 325.409 0.006 10 0 ECAERN C[C@H]1CCCCN1S(=O)(=O)N1CCO[C@H](c2cnn(C)c2)C1 ZINC000378029373 438339686 /nfs/dbraw/zinc/33/96/86/438339686.db2.gz FWQFLIBJLIIOME-JSGCOSHPSA-N 0 0 328.438 0.913 10 0 ECAERN COc1cccc([C@@H](C)CC(=O)NC[C@H](O)CN2CCOCC2)c1 ZINC000132445671 533698023 /nfs/dbraw/zinc/69/80/23/533698023.db2.gz NNALUIJMWPVUAQ-HOCLYGCPSA-N 0 0 336.432 0.998 10 0 ECAERN COc1cc(C(=O)N[C@@H]2CC(=O)N(C)[C@H]2c2cccnc2)nn1C ZINC000583621022 439487981 /nfs/dbraw/zinc/48/79/81/439487981.db2.gz LNUIONLQQLZNSV-ABAIWWIYSA-N 0 0 329.360 0.526 10 0 ECAERN CC(=O)c1ccc(-c2cnc(N)c(C(=O)NC[C@H](O)CO)n2)cc1 ZINC000584662259 439607004 /nfs/dbraw/zinc/60/70/04/439607004.db2.gz VXZSQYPNLGRIEZ-LBPRGKRZSA-N 0 0 330.344 0.011 10 0 ECAERN CCOC1CC(O)(CNC(=O)[C@@H]2CCCO[C@H]2c2nccn2C)C1 ZINC000614060558 439768855 /nfs/dbraw/zinc/76/88/55/439768855.db2.gz JEDZAPWMFBKIRP-YXXKGXSTSA-N 0 0 337.420 0.934 10 0 ECAERN NC(=O)C[C@@]1(O)CCCN(Cc2cnnn2Cc2ccccc2)C1 ZINC000643747505 440293090 /nfs/dbraw/zinc/29/30/90/440293090.db2.gz HUWVRLQYCCESBC-KRWDZBQOSA-N 0 0 329.404 0.529 10 0 ECAERN Cc1nnc2n1C[C@H](C(=O)NCC1(CO)CC3(CCC3)C1)N(C)C2 ZINC000644452891 440601767 /nfs/dbraw/zinc/60/17/67/440601767.db2.gz RLEXYTXCQVJYOC-CYBMUJFWSA-N 0 0 333.436 0.460 10 0 ECAERN O=C(C1CCCC1)N1CC(S(=O)(=O)N2CCC[C@@](F)(CO)C2)C1 ZINC000329238188 320761752 /nfs/dbraw/zinc/76/17/52/320761752.db2.gz PNCFVTKJODNBPP-HNNXBMFYSA-N 0 0 348.440 0.514 10 0 ECAERN CC(C)[C@@H]1N(C(=O)C2CCN(S(N)(=O)=O)CC2)C[C@]12CCCO2 ZINC000329346116 320767595 /nfs/dbraw/zinc/76/75/95/320767595.db2.gz VACMBDKWOWGJEL-DZGCQCFKSA-N 0 0 345.465 0.318 10 0 ECAERN Cn1c(=O)cc(C(=O)N2CCN3CCOC[C@H]3C2)c2ccccc21 ZINC000329667751 320783977 /nfs/dbraw/zinc/78/39/77/320783977.db2.gz LNJOJAFTQBWZHL-CYBMUJFWSA-N 0 0 327.384 0.695 10 0 ECAERN C[C@@H]1CN(S(=O)(=O)N2CC[C@H](Oc3ccncc3)C2)C[C@H](C)O1 ZINC000329890535 320793727 /nfs/dbraw/zinc/79/37/27/320793727.db2.gz GKRAQYVEMZHHHP-GUTXKFCHSA-N 0 0 341.433 0.889 10 0 ECAERN Cc1cc(C(C)C)nc(N2CCN(Cc3nc(=O)n(C)[nH]3)CC2)n1 ZINC000329918848 320795569 /nfs/dbraw/zinc/79/55/69/320795569.db2.gz GDBKNSPMSSMMDP-UHFFFAOYSA-N 0 0 331.424 0.652 10 0 ECAERN Cc1cc(C)n2nc(CC(=O)N3CC(=O)N(CC4CC4)C3)nc2n1 ZINC000333260724 320914630 /nfs/dbraw/zinc/91/46/30/320914630.db2.gz GEUVYXLTFYEVOH-UHFFFAOYSA-N 0 0 328.376 0.322 10 0 ECAERN O=C(Nc1cccc2cccnc21)C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000187983472 534373595 /nfs/dbraw/zinc/37/35/95/534373595.db2.gz QBFALANVBZVPIJ-UHFFFAOYSA-N 0 0 338.367 0.910 10 0 ECAERN CC(=O)NC1CN(C(=O)C(=O)Nc2ccc(C)c(-c3ncco3)c2)C1 ZINC000191338410 526705216 /nfs/dbraw/zinc/70/52/16/526705216.db2.gz WMKKDZMMKYLNFX-UHFFFAOYSA-N 0 0 342.355 0.935 10 0 ECAERN CC(=O)NC1CN(C(=O)C2=NN(c3ccccc3)[C@H](C(C)=O)C2)C1 ZINC000191489002 526705278 /nfs/dbraw/zinc/70/52/78/526705278.db2.gz FVZLMSVWNIBGPH-INIZCTEOSA-N 0 0 328.372 0.557 10 0 ECAERN CC(=O)NC1CN(C(=O)C(=O)Nc2cccc(-n3ccnc3)c2)C1 ZINC000191342730 526705353 /nfs/dbraw/zinc/70/53/53/526705353.db2.gz UTIOHZQUDQFLQD-UHFFFAOYSA-N 0 0 327.344 0.158 10 0 ECAERN CC(=O)NC1CN(C(=O)N[C@@H](CN2CCCC2=O)c2ccccc2)C1 ZINC000189824186 526709454 /nfs/dbraw/zinc/70/94/54/526709454.db2.gz FTNNZWZDUYQIMS-INIZCTEOSA-N 0 0 344.415 0.880 10 0 ECAERN CC(=O)NC1CN(C(=O)NCc2cccc(CN3CCCC3=O)c2)C1 ZINC000189806500 526710164 /nfs/dbraw/zinc/71/01/64/526710164.db2.gz YFIYQBIFZOKDAO-UHFFFAOYSA-N 0 0 344.415 0.839 10 0 ECAERN CCN(C)C(=O)[C@@H](C)NC(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000191403986 527745380 /nfs/dbraw/zinc/74/53/80/527745380.db2.gz DZALWYBOKXZCOH-VXGBXAGGSA-N 0 0 336.440 0.882 10 0 ECAERN CC1(Cn2cc(C(=O)N3CCO[C@@H](Cn4cccn4)C3)nn2)COC1 ZINC000184816197 528009536 /nfs/dbraw/zinc/00/95/36/528009536.db2.gz GYHQVRLEUOZRDC-CYBMUJFWSA-N 0 0 346.391 0.052 10 0 ECAERN Cc1ccc(N2CC[C@H]3OCC[C@@]3(C(=O)N3CCN(C)CC3)C2)nn1 ZINC000096064842 538558028 /nfs/dbraw/zinc/55/80/28/538558028.db2.gz ATOGTZJPDURLJE-CRAIPNDOSA-N 0 0 345.447 0.544 10 0 ECAERN Cn1ncc(N2CCC[C@@H](C(=O)NCc3ccncc3)C2)cc1=O ZINC000065313692 545675224 /nfs/dbraw/zinc/67/52/24/545675224.db2.gz JFVMCIPBPWELNQ-CQSZACIVSA-N 0 0 327.388 0.708 10 0 ECAERN CN(C[C@H]1CN(C)CCO1)S(=O)(=O)c1ccc2[nH]c(=O)oc2c1 ZINC000074775063 545687223 /nfs/dbraw/zinc/68/72/23/545687223.db2.gz GOIWMWIIZBNGCI-SNVBAGLBSA-N 0 0 341.389 0.072 10 0 ECAERN CCOCCN1CCN(S(=O)(=O)CC[C@@H]2CCCO2)C[C@@H]1C ZINC000120910931 545752846 /nfs/dbraw/zinc/75/28/46/545752846.db2.gz HHNSOPVUODZKMO-GJZGRUSLSA-N 0 0 334.482 0.928 10 0 ECAERN O=C(Cc1ccc2c(c1)NC(=O)C2)N1CCO[C@@H](Cn2cccn2)C1 ZINC000182420577 545889996 /nfs/dbraw/zinc/88/99/96/545889996.db2.gz USQBOBCFTHCQTF-OAHLLOKOSA-N 0 0 340.383 0.848 10 0 ECAERN O=C(Nc1cnn(CC2CC2)c1)C(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188020062 545901649 /nfs/dbraw/zinc/90/16/49/545901649.db2.gz LUNBVGFFUJTZNM-UHFFFAOYSA-N 0 0 345.403 0.359 10 0 ECAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC000188760634 545902628 /nfs/dbraw/zinc/90/26/28/545902628.db2.gz XIDLPQJIPQGIAS-WBQNTZJQSA-N 0 0 332.400 0.957 10 0 ECAERN CO[C@@H]1CN(Cc2nn(C)cc2Br)C[C@H]1c1c[nH]nn1 ZINC000621316871 546502017 /nfs/dbraw/zinc/50/20/17/546502017.db2.gz FJSAIWLJEIMOCG-QPUJVOFHSA-N 0 0 341.213 0.915 10 0 ECAERN Cc1ccn(-c2ccc(N3CC[C@](O)(Cn4ccnn4)C3)nn2)n1 ZINC000671466864 548153585 /nfs/dbraw/zinc/15/35/85/548153585.db2.gz QIUWOGYBIULSRX-OAHLLOKOSA-N 0 0 326.364 0.204 10 0 ECAERN O[C@@]1(Cn2ccnn2)CCN(Cc2nnc(-c3ccccc3)o2)C1 ZINC000671554096 548182598 /nfs/dbraw/zinc/18/25/98/548182598.db2.gz MUTXBTIXAUJECG-INIZCTEOSA-N 0 0 326.360 0.965 10 0 ECAERN Cc1noc([C@@H]2CC(=O)N(C3CN(Cc4cc[nH]c(=O)c4)C3)C2)n1 ZINC000895888829 586211061 /nfs/dbraw/zinc/21/10/61/586211061.db2.gz IKEFTWPXGSVISW-GFCCVEGCSA-N 0 0 329.360 0.679 10 0 ECAERN Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1CNC(=O)c1nnn(C)c1C ZINC000888078516 586246412 /nfs/dbraw/zinc/24/64/12/586246412.db2.gz YCRMVQBYAUCEPG-DOMZBBRYSA-N 0 0 332.408 0.981 10 0 ECAERN COC(=O)N[C@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)OC ZINC000224410875 586261997 /nfs/dbraw/zinc/26/19/97/586261997.db2.gz WDOFOXXVEWLNAP-NEPJUHHUSA-N 0 0 340.380 0.381 10 0 ECAERN CC[C@@H]1CN(C(=O)c2cccn3nnnc23)C[C@H]1N1CCOCC1 ZINC000896729829 586270220 /nfs/dbraw/zinc/27/02/20/586270220.db2.gz NZYKJYGJWKVXAY-TZMCWYRMSA-N 0 0 330.392 0.307 10 0 ECAERN Cn1ncc2cc(C(=O)N[C@H]3CCC(=O)N[C@@H]3[C@H]3CCCO3)cnc21 ZINC000888094689 586349065 /nfs/dbraw/zinc/34/90/65/586349065.db2.gz AJUZNUTWJKABBQ-GUTXKFCHSA-N 0 0 343.387 0.524 10 0 ECAERN Cc1ccc2c(c1)CN(C(=O)c1cn([C@@H]3COC[C@H]3O)nn1)CC2 ZINC000888100704 586350524 /nfs/dbraw/zinc/35/05/24/586350524.db2.gz ITRQTNRLPLBCPI-HZPDHXFCSA-N 0 0 328.372 0.717 10 0 ECAERN CCN1C(=O)CC[C@H](CNC(=O)c2cn(C)cn2)[C@H]1c1cnn(C)c1 ZINC000888102714 586350604 /nfs/dbraw/zinc/35/06/04/586350604.db2.gz HYYCUVJPYJQQGZ-WBMJQRKESA-N 0 0 344.419 0.883 10 0 ECAERN O=C(c1ccc2[nH]cnc2c1F)N1CCC[C@](O)(Cn2ccnn2)C1 ZINC000897700445 586360048 /nfs/dbraw/zinc/36/00/48/586360048.db2.gz NKJQJULLMGRAHV-MRXNPFEDSA-N 0 0 344.350 0.961 10 0 ECAERN CC[C@H]1CN(C(=O)C(C)C)CC[C@@H]1NC(=O)N1CCOCCN1 ZINC000893811801 586360826 /nfs/dbraw/zinc/36/08/26/586360826.db2.gz ZTQLITFGOMJPDV-KBPBESRZSA-N 0 0 326.441 0.816 10 0 ECAERN Cn1cc(C(=O)N[C@@H]2CCc3nc(C(C)(C)C)cn3C2)n(C)c1=O ZINC000900478382 586634849 /nfs/dbraw/zinc/63/48/49/586634849.db2.gz LEWOQOBOBKCYLD-LLVKDONJSA-N 0 0 331.420 0.963 10 0 ECAERN Cn1cc(O[C@@H]2COC[C@@H]2NCc2cnn(-c3ccccc3)n2)cn1 ZINC000862494372 589941892 /nfs/dbraw/zinc/94/18/92/589941892.db2.gz MFXLGKPISSCJKR-DLBZAZTESA-N 0 0 340.387 0.937 10 0 ECAERN Cn1cc(O[C@@H]2COC[C@@H]2NC(=O)Cn2cc(C3CC3)cn2)cn1 ZINC000862921347 589973559 /nfs/dbraw/zinc/97/35/59/589973559.db2.gz PCNVWTKMGACPTB-LSDHHAIUSA-N 0 0 331.376 0.457 10 0 ECAERN Cn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2ccc(CO)c(F)c2)cn1 ZINC000862923063 589974207 /nfs/dbraw/zinc/97/42/07/589974207.db2.gz QUJPYKNSFBDPSD-LSDHHAIUSA-N 0 0 335.335 0.628 10 0 ECAERN CCn1ccnc(N2CC[C@@H](c3cc(=O)[nH]c(N(C)C)n3)C2)c1=O ZINC000864312265 590068956 /nfs/dbraw/zinc/06/89/56/590068956.db2.gz HHPKGKDSQNUPQR-LLVKDONJSA-N 0 0 330.392 0.819 10 0 ECAERN CC(C)(C)[S@](=O)CCNC(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000120261988 590111674 /nfs/dbraw/zinc/11/16/74/590111674.db2.gz QQTJZUGMDSNWQK-ZLOXQWCVSA-N 0 0 342.465 0.841 10 0 ECAERN Cc1cnn([C@@H]2CCCN(Cn3nnc4c(cnn4C)c3=O)C2)c1 ZINC000132661278 590655471 /nfs/dbraw/zinc/65/54/71/590655471.db2.gz WPERPFQKVCRHSV-GFCCVEGCSA-N 0 0 328.380 0.325 10 0 ECAERN Cn1cnnc1C[C@@]1(O)CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000886027169 590787089 /nfs/dbraw/zinc/78/70/89/590787089.db2.gz LWOPPYUKFVOVOZ-HNNXBMFYSA-N 0 0 336.417 0.573 10 0 ECAERN CCN(Cc1nnc(C)o1)[C@H]1CN(C(=O)/C=C\c2ccc[nH]2)C[C@H]1O ZINC000886046163 590788698 /nfs/dbraw/zinc/78/86/98/590788698.db2.gz NRKFEMUKOKRSQK-NHQLZKDQSA-N 0 0 345.403 0.813 10 0 ECAERN Cn1ccc(NC(=O)NC[C@@H]2C[C@H](F)CN2Cc2ncccn2)n1 ZINC000886068720 590790050 /nfs/dbraw/zinc/79/00/50/590790050.db2.gz KRLUGCXIRRCRSN-RYUDHWBXSA-N 0 0 333.371 0.944 10 0 ECAERN CCn1nc(C)c(CNC[C@@H]2OCCN(C)[C@H]2c2ccnn2C)n1 ZINC000886074671 590790606 /nfs/dbraw/zinc/79/06/06/590790606.db2.gz MISJLYAOVAGIQP-HOTGVXAUSA-N 0 0 333.440 0.501 10 0 ECAERN CO[C@@H]1CCCCN(CC(=O)NCCN2CCOCC2(C)C)C1=O ZINC000886074674 590790734 /nfs/dbraw/zinc/79/07/34/590790734.db2.gz MSIWNODGLIPXHM-CQSZACIVSA-N 0 0 341.452 0.241 10 0 ECAERN CO[C@@H]1CCCCN(CC(=O)N(C)Cc2nncn2C(C)C)C1=O ZINC000886078182 590791745 /nfs/dbraw/zinc/79/17/45/590791745.db2.gz PKULVYSVMQAXLN-CYBMUJFWSA-N 0 0 337.424 0.845 10 0 ECAERN CCN1CCO[C@@H](CNc2nccn(C)c2=O)[C@@H]1c1ccnn1C ZINC000886079451 590791849 /nfs/dbraw/zinc/79/18/49/590791849.db2.gz BGIDLPIFJJKFHC-KBPBESRZSA-N 0 0 332.408 0.388 10 0 ECAERN Cn1ccnc1[C@H]1[C@H](NC(=O)c2ccn[nH]2)CCC(=O)N1C1CC1 ZINC000886084767 590792716 /nfs/dbraw/zinc/79/27/16/590792716.db2.gz GDHSBAKDCCINDR-BXUZGUMPSA-N 0 0 328.376 0.768 10 0 ECAERN COc1ccc(CNC(=O)[C@H]2Cn3c(C)nnc3CN2)c(OC)c1 ZINC000886081883 590792809 /nfs/dbraw/zinc/79/28/09/590792809.db2.gz AWUCSEFWZVHJJA-CYBMUJFWSA-N 0 0 331.376 0.392 10 0 ECAERN Cn1cnnc1C[C@]1(O)CCCN(C(=O)c2cccc3[nH]ncc32)C1 ZINC000886095312 590795050 /nfs/dbraw/zinc/79/50/50/590795050.db2.gz REHUJASBJZDFCP-QGZVFWFLSA-N 0 0 340.387 0.901 10 0 ECAERN O=C(C[C@@H]1CCC(=O)NC1)N1CC(OCc2nc(C3CC3)no2)C1 ZINC000886097235 590795388 /nfs/dbraw/zinc/79/53/88/590795388.db2.gz VHSWJQPSKLHHCI-JTQLQIEISA-N 0 0 334.376 0.591 10 0 ECAERN CCN1C(=O)CC[C@H](CNC(=O)Cn2cccn2)[C@H]1c1nccn1C ZINC000886097413 590796406 /nfs/dbraw/zinc/79/64/06/590796406.db2.gz ZRRSAMAOEULLPU-CJNGLKHVSA-N 0 0 344.419 0.733 10 0 ECAERN CN1CCO[C@@H](CNC(=O)Nc2cccc(CN3CCOCC3)n2)C1 ZINC000889285680 591048954 /nfs/dbraw/zinc/04/89/54/591048954.db2.gz PHKJSDZCUASWEN-HNNXBMFYSA-N 0 0 349.435 0.366 10 0 ECAERN O=C(CCc1nnc[nH]1)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000177199683 608926554 /nfs/dbraw/zinc/92/65/54/608926554.db2.gz JVZQMNBAXYCWOW-OAHLLOKOSA-N 0 0 329.404 0.615 10 0 ECAERN O=C(Cc1cccc(F)c1)NCC(=O)N[C@@H]1C[C@@H](O)[C@@H]1n1cccn1 ZINC000909161579 609682489 /nfs/dbraw/zinc/68/24/89/609682489.db2.gz NGNKJDYZEKYNBO-CKEIUWERSA-N 0 0 346.362 0.172 10 0 ECAERN Cc1noc(-c2cncn(CCC(=O)NC[C@H]3CCCO3)c2=O)n1 ZINC000222846928 609705288 /nfs/dbraw/zinc/70/52/88/609705288.db2.gz OHGNPDTXQQONEM-LLVKDONJSA-N 0 0 333.348 0.287 10 0 ECAERN CC(C)NC(=O)N(C1CN(C(=O)c2ccnn2C)C1)C1CCOCC1 ZINC000169785897 609746223 /nfs/dbraw/zinc/74/62/23/609746223.db2.gz OSABDYVDBQTFDG-UHFFFAOYSA-N 0 0 349.435 0.844 10 0 ECAERN Cc1ccc(C(=O)N2CCc3nn(CC4CC4)c(=O)n3CC2)c(=O)[nH]1 ZINC000169790169 609746557 /nfs/dbraw/zinc/74/65/57/609746557.db2.gz LQWNMHZKBRNWAS-UHFFFAOYSA-N 0 0 343.387 0.562 10 0 ECAERN Cc1cc(C)n(C[C@@H]2CN(CC(=O)N3CCO[C@H](C)C3)CCO2)n1 ZINC000171609949 609762656 /nfs/dbraw/zinc/76/26/56/609762656.db2.gz JEPYNAPUZVFQCT-CVEARBPZSA-N 0 0 336.436 0.448 10 0 ECAERN CC(C)N1C(=O)C(=O)N(CN2CCC(Cn3cccn3)CC2)C1=O ZINC000152757707 609878029 /nfs/dbraw/zinc/87/80/29/609878029.db2.gz NUSRLRCLAAAUGL-UHFFFAOYSA-N 0 0 333.392 0.752 10 0 ECAERN COc1ccc(CNC(=O)/C=C/C(=O)N2CCOC[C@@H]2CO)cc1 ZINC000912415114 609955070 /nfs/dbraw/zinc/95/50/70/609955070.db2.gz GPAGNYGIVQUPGR-UZYOAWRESA-N 0 0 334.372 0.087 10 0 ECAERN O=C([C@@H]1CCS(=O)(=O)c2ccccc21)N1CCOC[C@H]1CO ZINC000912417808 609956542 /nfs/dbraw/zinc/95/65/42/609956542.db2.gz VEQYFSPEMCQHQA-DGCLKSJQSA-N 0 0 325.386 0.167 10 0 ECAERN O=C(c1ccc(CN2C(=O)CCC2=O)cc1)N1CCOC[C@H]1CO ZINC000912427465 609958300 /nfs/dbraw/zinc/95/83/00/609958300.db2.gz LUQNJEYPEDOGNH-CQSZACIVSA-N 0 0 332.356 0.169 10 0 ECAERN C[C@H]1CN(S(=O)(=O)/C=C/c2ccccc2)CCN1S(C)(=O)=O ZINC000183426141 610464082 /nfs/dbraw/zinc/46/40/82/610464082.db2.gz AEYVHIOCVAEKSS-YKWSONSWSA-N 0 0 344.458 0.953 10 0 ECAERN CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1cccc(C(F)(F)F)n1 ZINC000190895742 611875151 /nfs/dbraw/zinc/87/51/51/611875151.db2.gz RUDLRCSQVZQNQC-MRVPVSSYSA-N 0 0 344.293 0.776 10 0 ECAERN CNC(=O)[C@H](NC(=O)C(=O)Nc1ccc(Cl)nc1C)C(C)C ZINC000193201643 612174437 /nfs/dbraw/zinc/17/44/37/612174437.db2.gz ZTSVBJLPWSETBC-LLVKDONJSA-N 0 0 326.784 0.869 10 0 ECAERN Cc1cc(C)n(-c2nnc(SCc3nnnn3C(C)C)n2N)n1 ZINC000195517227 612443045 /nfs/dbraw/zinc/44/30/45/612443045.db2.gz QICIDIUKKVZIOJ-UHFFFAOYSA-N 0 0 334.413 0.654 10 0 ECAERN Cc1noc([C@@H]2CCN(C(=O)[C@@H]3CC(=O)N(c4cn[nH]c4)C3)C2)n1 ZINC000329064320 740419094 /nfs/dbraw/zinc/41/90/94/740419094.db2.gz OMQBHLBZHKDABL-GHMZBOCLSA-N 0 0 330.348 0.470 10 0 ECAERN CN1CCO[C@H]2CCN(C(=O)NCc3nc(C(F)(F)F)n[nH]3)C[C@@H]21 ZINC000332779205 742433478 /nfs/dbraw/zinc/43/34/78/742433478.db2.gz CZYGJHCQFCRDEL-IUCAKERBSA-N 0 0 348.329 0.438 10 0 ECAERN Cc1cc(N2CCC[C@@H](NC(=O)N3CCC(CO)CC3)C2=O)n(C)n1 ZINC000173561110 230970782 /nfs/dbraw/zinc/97/07/82/230970782.db2.gz KIXINTLHJYTHFT-CQSZACIVSA-N 0 0 349.435 0.638 10 0 ECAERN CCc1ccc(C(=O)N[C@H]2CCc3ncnn3C2)cc1S(C)(=O)=O ZINC000154226006 529609129 /nfs/dbraw/zinc/60/91/29/529609129.db2.gz DAAPZEOCDMKVQY-ZDUSSCGKSA-N 0 0 348.428 0.989 10 0 ECAERN Cc1nccn1C[C@H]1CCCN1C(=O)NCCN1C(=O)CCC1=O ZINC000176215325 231598061 /nfs/dbraw/zinc/59/80/61/231598061.db2.gz IPAGFJDOJBTQER-CYBMUJFWSA-N 0 0 333.392 0.515 10 0 ECAERN O=C(NC[C@H](O)COc1ccc(F)cc1)N[C@H]1CCCn2ncnc21 ZINC000176595059 231689278 /nfs/dbraw/zinc/68/92/78/231689278.db2.gz WTQCTNBSOWBNLE-JSGCOSHPSA-N 0 0 349.366 0.991 10 0 ECAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)Cn1c(C)cc(O)cc1=O ZINC000151468030 529749637 /nfs/dbraw/zinc/74/96/37/529749637.db2.gz FYXWBDBMCXJSTJ-LBPRGKRZSA-N 0 0 331.376 0.668 10 0 ECAERN CCS(=O)(=O)N[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000004499679 210205704 /nfs/dbraw/zinc/20/57/04/210205704.db2.gz QQQPDDKCHCXGLH-JTQLQIEISA-N 0 0 326.374 0.502 10 0 ECAERN CN(CC(=O)N1C[C@@H](c2ccsc2)[C@H](CO)C1)S(C)(=O)=O ZINC000187567451 529829786 /nfs/dbraw/zinc/82/97/86/529829786.db2.gz VIXBTNJRTNJDSQ-RYUDHWBXSA-N 0 0 332.447 0.174 10 0 ECAERN CNC(=O)CCCN(C)C(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000181744603 529850511 /nfs/dbraw/zinc/85/05/11/529850511.db2.gz JOHANUPBQCYFGE-GFCCVEGCSA-N 0 0 336.440 0.884 10 0 ECAERN CNC(=O)Cn1cc(NC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)cn1 ZINC000179458952 529876469 /nfs/dbraw/zinc/87/64/69/529876469.db2.gz JAUNBCLDJVTOED-LRDDRELGSA-N 0 0 335.408 0.788 10 0 ECAERN C[C@H](SC[C@H](O)CO)C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000177419640 231889138 /nfs/dbraw/zinc/88/91/38/231889138.db2.gz FFVDPFUJTFKTCR-SWLSCSKDSA-N 0 0 342.436 0.949 10 0 ECAERN O=C(Nc1ccc2c(c1)CCO2)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000177628869 231942903 /nfs/dbraw/zinc/94/29/03/231942903.db2.gz BQCIUTYQIIFHTI-GFCCVEGCSA-N 0 0 327.344 0.283 10 0 ECAERN O=C(Nc1ccc(Cl)nc1)C(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000177653214 231949704 /nfs/dbraw/zinc/94/97/04/231949704.db2.gz OZJPXOCPUJUDFW-LBPRGKRZSA-N 0 0 349.778 0.798 10 0 ECAERN COCCn1ccc(NC(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)n1 ZINC000177822277 232002805 /nfs/dbraw/zinc/00/28/05/232002805.db2.gz HMESMOOEIPVYJY-KGLIPLIRSA-N 0 0 337.424 0.714 10 0 ECAERN CCCC(=O)N[C@H]1CCCN(C(=O)NC[C@H](C)N2CCOCC2)C1 ZINC000101786259 219164568 /nfs/dbraw/zinc/16/45/68/219164568.db2.gz ZDPQSAIMVGGSQZ-GJZGRUSLSA-N 0 0 340.468 0.797 10 0 ECAERN C[C@H](CNC(=O)NCC(=O)N1CCc2ccccc21)N1CCOCC1 ZINC000101980962 219178306 /nfs/dbraw/zinc/17/83/06/219178306.db2.gz XVNHIIZSDOWLEI-CQSZACIVSA-N 0 0 346.431 0.596 10 0 ECAERN COc1ccc(OC)c(S(=O)(=O)NC[C@@H]2CC(=O)N(C)C2)c1 ZINC000074863306 545687054 /nfs/dbraw/zinc/68/70/54/545687054.db2.gz YWGCPYNCYRNTBY-JTQLQIEISA-N 0 0 328.390 0.460 10 0 ECAERN Cc1c(C(=O)Nc2cccnc2)c(N)nc2c1c(=O)n(C)c(=O)n2C ZINC000040570396 213352214 /nfs/dbraw/zinc/35/22/14/213352214.db2.gz ZFHMVQNTNKRXFX-UHFFFAOYSA-N 0 0 340.343 0.170 10 0 ECAERN Cc1nccn1C[C@H]1CCCN1C(=O)NCCNC(=O)c1ccn[nH]1 ZINC000181702056 234292569 /nfs/dbraw/zinc/29/25/69/234292569.db2.gz LMEZKGVTPVPXFS-CYBMUJFWSA-N 0 0 345.407 0.519 10 0 ECAERN O=S1(=O)C[C@@H](O)[C@H](NCc2ccc(Br)s2)C1 ZINC000038018699 213190964 /nfs/dbraw/zinc/19/09/64/213190964.db2.gz GPLZPXSNXQQDBK-HTQZYQBOSA-N 0 0 326.237 0.758 10 0 ECAERN CCNC(=O)CNS(=O)(=O)c1ccc(N)cc1Br ZINC000036780191 213118656 /nfs/dbraw/zinc/11/86/56/213118656.db2.gz WAQDMWCUVKCCRO-UHFFFAOYSA-N 0 0 336.211 0.446 10 0 ECAERN C[C@H](CS(C)(=O)=O)C(=O)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000187615408 236260698 /nfs/dbraw/zinc/26/06/98/236260698.db2.gz BLWZOECNSANJHK-WXHSDQCUSA-N 0 0 331.459 0.963 10 0 ECAERN Cn1cc2ncn(C[C@@H]3CCCN(c4ncccn4)C3)c(=O)c2n1 ZINC000072122230 216015227 /nfs/dbraw/zinc/01/52/27/216015227.db2.gz OZNFUIOUDJVZLW-GFCCVEGCSA-N 0 0 325.376 0.837 10 0 ECAERN Cc1nn2c(nnc3c(=O)n(CCO)cnc32)c1-c1ccc(F)cc1 ZINC000072450099 216239009 /nfs/dbraw/zinc/23/90/09/216239009.db2.gz MVYIQSYLKROWAU-UHFFFAOYSA-N 0 0 340.318 0.941 10 0 ECAERN Cn1cc(NC(=O)C(=O)N2CCCC[C@H]2c2cn[nH]c2)ccc1=O ZINC000190140106 238243736 /nfs/dbraw/zinc/24/37/36/238243736.db2.gz SGBSAYNYQKWZMS-ZDUSSCGKSA-N 0 0 329.360 0.801 10 0 ECAERN COCc1cc(Sc2nnc(-c3ccco3)n2N)n2ncnc2n1 ZINC000130862911 223181981 /nfs/dbraw/zinc/18/19/81/223181981.db2.gz VXFBOFZFGXNMSV-UHFFFAOYSA-N 0 0 344.360 0.987 10 0 ECAERN CCn1cc(C(=O)C(=O)N2CCO[C@H](c3cnn(CC)c3)C2)cn1 ZINC000191737476 239274248 /nfs/dbraw/zinc/27/42/48/239274248.db2.gz FPWPQKVUFCPLFK-AWEZNQCLSA-N 0 0 331.376 0.902 10 0 ECAERN O=C(NC[C@@H](O)CN1CCOCC1)c1c[nH]nc1-c1ccccc1F ZINC000132451657 223331971 /nfs/dbraw/zinc/33/19/71/223331971.db2.gz AXYYRWWPPUUICL-GFCCVEGCSA-N 0 0 348.378 0.639 10 0 ECAERN Cc1cc(C)nc(NC(=O)C(=O)N2CCO[C@H](Cn3cccn3)C2)c1 ZINC000193474778 240178712 /nfs/dbraw/zinc/17/87/12/240178712.db2.gz JKTSUUIRNQKAIQ-AWEZNQCLSA-N 0 0 343.387 0.761 10 0 ECAERN Cc1cc(C)nc(NC(=O)C(=O)N2CCN(C[C@@H](C)O)[C@@H](C)C2)c1 ZINC000193471213 240179378 /nfs/dbraw/zinc/17/93/78/240179378.db2.gz HVXKZXBGGSLXCQ-UONOGXRCSA-N 0 0 334.420 0.550 10 0 ECAERN Cc1c2ccccc2oc(=O)c1C(=O)NC[C@H](O)CN1CCOCC1 ZINC000133007450 223381929 /nfs/dbraw/zinc/38/19/29/223381929.db2.gz NCTFRBXGHZHMGD-ZDUSSCGKSA-N 0 0 346.383 0.524 10 0 ECAERN O=C(COc1ccc2c(c1)CCCC2)NC[C@H](O)CN1CCOCC1 ZINC000133121736 223390107 /nfs/dbraw/zinc/39/01/07/223390107.db2.gz UIXYOMKWQNWYLY-KRWDZBQOSA-N 0 0 348.443 0.754 10 0 ECAERN O=C(N[C@@H]1CCc2ncnn2C1)C1=NN(c2ccccc2)C(=O)CC1 ZINC000112663292 284120150 /nfs/dbraw/zinc/12/01/50/284120150.db2.gz WQBBOIDQDOURST-GFCCVEGCSA-N 0 0 338.371 0.892 10 0 ECAERN O=C(Nc1ccc2c(c1)CCC2)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000177633545 284323114 /nfs/dbraw/zinc/32/31/14/284323114.db2.gz OMJMSMWZDZWGAZ-CQSZACIVSA-N 0 0 325.372 0.837 10 0 ECAERN O=C([C@@H]1Cc2ccccc2C(=O)O1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111083860 220097945 /nfs/dbraw/zinc/09/79/45/220097945.db2.gz MXNQPZPANQAQEJ-ZBFHGGJFSA-N 0 0 341.367 0.892 10 0 ECAERN O=C(CCNC(=O)c1ccco1)N1CCO[C@H](Cn2cccn2)C1 ZINC000111076824 220097091 /nfs/dbraw/zinc/09/70/91/220097091.db2.gz ZSAQCKICUQMLJB-ZDUSSCGKSA-N 0 0 332.360 0.524 10 0 ECAERN CCOCCS(=O)(=O)N1CCN([C@H](C)c2nc(CC)no2)CC1 ZINC000112093370 220240806 /nfs/dbraw/zinc/24/08/06/220240806.db2.gz CJRSHTBREHTMQQ-GFCCVEGCSA-N 0 0 346.453 0.677 10 0 ECAERN Cc1ccn(C)c(=O)c1NC(=O)C(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000091249346 217985729 /nfs/dbraw/zinc/98/57/29/217985729.db2.gz YQDURYCTCOKZON-SCLBCKFNSA-N 0 0 347.415 0.786 10 0 ECAERN CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(N)c(C)c1 ZINC000011755787 211243309 /nfs/dbraw/zinc/24/33/09/211243309.db2.gz DOFRBYGLSNKFHO-LLVKDONJSA-N 0 0 332.447 0.775 10 0 ECAERN NC(=O)[C@@H]1COCCN1C(=O)CCc1cnn(-c2ccccc2)c1 ZINC000091783301 218066053 /nfs/dbraw/zinc/06/60/53/218066053.db2.gz TWNVSEOXIBXVIX-HNNXBMFYSA-N 0 0 328.372 0.518 10 0 ECAERN CC(C)[C@H](C)NC(=O)C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 ZINC000092631808 218154773 /nfs/dbraw/zinc/15/47/73/218154773.db2.gz WNHZWVGNKLAJDU-NSHDSACASA-N 0 0 331.376 0.670 10 0 ECAERN CCOC(=O)[C@@H]1CN(C(=O)c2cnccn2)Cc2ncn(CC)c21 ZINC000096059385 218552584 /nfs/dbraw/zinc/55/25/84/218552584.db2.gz QDJAECALMJUNNM-LLVKDONJSA-N 0 0 329.360 0.996 10 0 ECAERN CNC(=O)[C@H](NC(=O)NCCC(=O)NC1CCCCC1)C(C)C ZINC000178407873 207685150 /nfs/dbraw/zinc/68/51/50/207685150.db2.gz HNDVXIMKWWDUBW-CQSZACIVSA-N 0 0 326.441 0.895 10 0 ECAERN CNC(=O)[C@H](NC(=O)NCC(=O)N1CCc2ccccc21)C(C)C ZINC000178442962 207686580 /nfs/dbraw/zinc/68/65/80/207686580.db2.gz IADWYEADYAGNGK-OAHLLOKOSA-N 0 0 332.404 0.646 10 0 ECAERN CCCNC(=O)CCNC(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000181502661 207700167 /nfs/dbraw/zinc/70/01/67/207700167.db2.gz MICZLDJGKZGYEP-GFCCVEGCSA-N 0 0 336.440 0.932 10 0 ECAERN CNc1cc(N2CCC[C@@H]2CNC(=O)N(C)CC[C@@H](C)O)ncn1 ZINC000153400579 533048921 /nfs/dbraw/zinc/04/89/21/533048921.db2.gz OBYHSXFCGPMCJR-CHWSQXEVSA-N 0 0 336.440 0.899 10 0 ECAERN CNc1cc(N2CCC[C@@H]2CNC(=O)N[C@@H](C)CCCO)ncn1 ZINC000130804820 533049155 /nfs/dbraw/zinc/04/91/55/533049155.db2.gz ZBWRXISFXQWNSJ-QWHCGFSZSA-N 0 0 336.440 0.947 10 0 ECAERN CNc1cc(N2CCC[C@@H]2CNS(=O)(=O)c2cccnc2)ncn1 ZINC000173898096 533051178 /nfs/dbraw/zinc/05/11/78/533051178.db2.gz RFRWXWFNBLVGCQ-GFCCVEGCSA-N 0 0 348.432 0.861 10 0 ECAERN CN1C(=O)c2ccc(C(=O)N[C@@H]3CCc4ncnn4C3)cc2C1=O ZINC000112647268 220362749 /nfs/dbraw/zinc/36/27/49/220362749.db2.gz UFUOKWVKILBPQN-SNVBAGLBSA-N 0 0 325.328 0.249 10 0 ECAERN Cn1c2ccccc2n(CCC(=O)N[C@H]2CCc3ncnn3C2)c1=O ZINC000112649277 220363870 /nfs/dbraw/zinc/36/38/70/220363870.db2.gz LMYCRWUHWRWAPU-LBPRGKRZSA-N 0 0 340.387 0.453 10 0 ECAERN O=C(CNC(=O)c1ccc(F)c(F)c1)N[C@H]1CCc2ncnn2C1 ZINC000112725468 220387184 /nfs/dbraw/zinc/38/71/84/220387184.db2.gz YOBWDCBPJQPGNW-JTQLQIEISA-N 0 0 335.314 0.417 10 0 ECAERN COc1ccc([C@H](C)CC(=O)NC[C@H](O)CN2CCOCC2)cc1 ZINC000133003392 533151144 /nfs/dbraw/zinc/15/11/44/533151144.db2.gz QSRXJXANLWTRCD-ZBFHGGJFSA-N 0 0 336.432 0.998 10 0 ECAERN COC(=O)[C@H](C)CS(=O)(=O)N1CCC[C@@H](n2cc(C)cn2)C1 ZINC000151998423 533181285 /nfs/dbraw/zinc/18/12/85/533181285.db2.gz VDOBYMYPMANLJJ-CHWSQXEVSA-N 0 0 329.422 0.967 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)Nc1cnn(CCOC)c1)CC2 ZINC000114875443 220773925 /nfs/dbraw/zinc/77/39/25/220773925.db2.gz UELNKTVRQZXTSX-LLVKDONJSA-N 0 0 333.396 0.820 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)N1CCC3(CC1)OCCO3)CC2 ZINC000114975555 220795300 /nfs/dbraw/zinc/79/53/00/220795300.db2.gz QOKVXTVCJWJXEQ-LBPRGKRZSA-N 0 0 335.408 0.704 10 0 ECAERN CCOCCN1CCN(C(=O)[C@@H](C)NC(=O)c2ccoc2)C[C@@H]1C ZINC000117274646 221040185 /nfs/dbraw/zinc/04/01/85/221040185.db2.gz CHHQUXABHQFJOY-UONOGXRCSA-N 0 0 337.420 0.967 10 0 ECAERN Cc1cnn(CCNC(=O)C2=NN(c3ccccc3)C(=O)[C@@H](C)N2)c1 ZINC000117816357 221092541 /nfs/dbraw/zinc/09/25/41/221092541.db2.gz JLVWUNSCQGVWSU-CYBMUJFWSA-N 0 0 340.387 0.646 10 0 ECAERN Cc1cnn(CCNC(=O)CCNS(=O)(=O)c2cccs2)c1 ZINC000117817105 221092925 /nfs/dbraw/zinc/09/29/25/221092925.db2.gz WBTKESXKVPRIIN-UHFFFAOYSA-N 0 0 342.446 0.738 10 0 ECAERN Cc1cnn(CCNS(=O)(=O)c2cnc3c(c2)c(C)nn3C)c1 ZINC000117927287 221099889 /nfs/dbraw/zinc/09/98/89/221099889.db2.gz PASBLKKJRWVNJD-UHFFFAOYSA-N 0 0 334.405 0.760 10 0 ECAERN O=C1NC2(CCCC2)C(=O)N1CCN1CCO[C@@H](Cn2cccn2)C1 ZINC000119260770 221279247 /nfs/dbraw/zinc/27/92/47/221279247.db2.gz DMASIBZCUUGFKZ-CQSZACIVSA-N 0 0 347.419 0.449 10 0 ECAERN CNC(=O)[C@@H]1CO[C@H]2CN(S(=O)(=O)c3cccc(F)c3)C[C@H]21 ZINC000247948435 257672559 /nfs/dbraw/zinc/67/25/59/257672559.db2.gz KSESVFAUOQAPKE-XQQFMLRXSA-N 0 0 328.365 0.207 10 0 ECAERN O=C(c1ncccn1)N1C[C@H]2COC[C@@]2(c2nnc(C3CC3)o2)C1 ZINC000247887139 257675317 /nfs/dbraw/zinc/67/53/17/257675317.db2.gz XINVMNKXHNBWBU-ZBEGNZNMSA-N 0 0 327.344 0.777 10 0 ECAERN O=C(NC1CC1)c1noc([C@H]2CCCN2c2ncnc3n[nH]cc32)n1 ZINC000328627503 258031341 /nfs/dbraw/zinc/03/13/41/258031341.db2.gz MUKBDZCEWVQBFF-SNVBAGLBSA-N 0 0 340.347 0.970 10 0 ECAERN COc1ccc(C(=O)N2CCN3CCCC[C@H]3C2)cc1-n1cnnn1 ZINC000180883051 533306524 /nfs/dbraw/zinc/30/65/24/533306524.db2.gz ODRPUTHZKMDTCX-AWEZNQCLSA-N 0 0 342.403 0.981 10 0 ECAERN CS(=O)(=O)CCNC(=O)N1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000178680111 533358460 /nfs/dbraw/zinc/35/84/60/533358460.db2.gz QKEUXNQTFQOGMT-GWCFXTLKSA-N 0 0 348.371 0.827 10 0 ECAERN CS(=O)(=O)CCNC(=O)N1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000178680093 533358488 /nfs/dbraw/zinc/35/84/88/533358488.db2.gz QKEUXNQTFQOGMT-GXFFZTMASA-N 0 0 348.371 0.827 10 0 ECAERN CC(=O)N1CCOC[C@H]1C(=O)NCc1ccccc1N1CCOCC1 ZINC000371239914 135531478 /nfs/dbraw/zinc/53/14/78/135531478.db2.gz AGRWYEFVKPVWFA-KRWDZBQOSA-N 0 0 347.415 0.387 10 0 ECAERN Cn1cc(NC(=O)N[C@H]2CCCN(c3nccn(C)c3=O)C2)cn1 ZINC000275862027 135636306 /nfs/dbraw/zinc/63/63/06/135636306.db2.gz XNUYYJCVLMRUOR-NSHDSACASA-N 0 0 331.380 0.304 10 0 ECAERN CCCC[C@H](NC(=O)NCC)C(=O)NC[C@@H](C)N1CCOCC1 ZINC000119078710 296642009 /nfs/dbraw/zinc/64/20/09/296642009.db2.gz RGMAPZRCGLMXEG-KGLIPLIRSA-N 0 0 328.457 0.701 10 0 ECAERN Cc1ccc(OCCC(=O)NC[C@H](O)CN2CCOCC2)cc1C ZINC000128987508 164684472 /nfs/dbraw/zinc/68/44/72/164684472.db2.gz VCOFJWYIBXFFKA-INIZCTEOSA-N 0 0 336.432 0.882 10 0 ECAERN CC[C@@H]1CN(C(=O)N[C@@H]2CCc3ncnn3C2)CCN1CC(F)F ZINC000133758222 164706979 /nfs/dbraw/zinc/70/69/79/164706979.db2.gz NGHVIRKPZFWSBJ-VXGBXAGGSA-N 0 0 342.394 0.964 10 0 ECAERN C[C@H]1CC[C@H](C(=O)NCC(=O)Nc2ccc(-n3cncn3)cc2)O1 ZINC000155490103 164774106 /nfs/dbraw/zinc/77/41/06/164774106.db2.gz OJNXPMMVQSXBRC-SMDDNHRTSA-N 0 0 329.360 0.890 10 0 ECAERN NC(=O)Cn1cc(C(=O)N[C@@H](Cc2ccccc2)C(F)(F)F)nn1 ZINC000168448580 164822359 /nfs/dbraw/zinc/82/23/59/164822359.db2.gz OOAVYIITQNLHLJ-NSHDSACASA-N 0 0 341.293 0.667 10 0 ECAERN C[C@@H](NC(N)=O)C(=O)N1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000171020256 164827935 /nfs/dbraw/zinc/82/79/35/164827935.db2.gz AIEMVIWBLVWGKS-SNVBAGLBSA-N 0 0 344.375 0.894 10 0 ECAERN O=C(CNC(=O)NC1CCCCC1)N1CC[C@H](N2CCOCC2)C1 ZINC000172760193 164847298 /nfs/dbraw/zinc/84/72/98/164847298.db2.gz HWABHDLSXIWWIG-HNNXBMFYSA-N 0 0 338.452 0.551 10 0 ECAERN Cc1nc(CN2CCCN(S(=O)(=O)N(C)C(C)C)CC2)no1 ZINC000173824405 164862247 /nfs/dbraw/zinc/86/22/47/164862247.db2.gz GHSJVMLOWZCDPP-UHFFFAOYSA-N 0 0 331.442 0.471 10 0 ECAERN COc1ccc(CNC(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)cn1 ZINC000175645922 164882114 /nfs/dbraw/zinc/88/21/14/164882114.db2.gz JQHUZRQGLCIWHV-HIFRSBDPSA-N 0 0 334.420 0.952 10 0 ECAERN CCN(CCNC(=O)[C@H]1C[C@@H](O)CN1C(C)=O)c1ccccc1C ZINC000188636021 165000256 /nfs/dbraw/zinc/00/02/56/165000256.db2.gz KADBVFINIJVLOL-NVXWUHKLSA-N 0 0 333.432 0.919 10 0 ECAERN C[C@@H]1C(=O)NCCCN1C(=O)c1cc(I)c[nH]1 ZINC000188887532 165003409 /nfs/dbraw/zinc/00/34/09/165003409.db2.gz OWSXLYVGQMZVGR-SSDOTTSWSA-N 0 0 347.156 0.970 10 0 ECAERN CCS(=O)(=O)c1cccc(CC(=O)N2CCCNC(=O)[C@H]2C)c1 ZINC000188868533 165003414 /nfs/dbraw/zinc/00/34/14/165003414.db2.gz BOTHDUQXZZIFTB-GFCCVEGCSA-N 0 0 338.429 0.760 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)N1CC(NC(=O)C3CCC3)C1)CC2 ZINC000188855041 165003483 /nfs/dbraw/zinc/00/34/83/165003483.db2.gz MHSJIWJTIMLQBZ-GFCCVEGCSA-N 0 0 346.435 0.465 10 0 ECAERN CCC(CC)[C@H](C(=O)N1CC(NC(=O)C2CC2)C1)N1CCOCC1 ZINC000189443914 165009617 /nfs/dbraw/zinc/00/96/17/165009617.db2.gz TWRXSWZCMCSWCJ-MRXNPFEDSA-N 0 0 337.464 0.860 10 0 ECAERN CN(C)c1ncc(NC(=O)C(=O)N2CCCC[C@H]2c2cn[nH]c2)cn1 ZINC000190143341 165019408 /nfs/dbraw/zinc/01/94/08/165019408.db2.gz WPJALCVFRNUBHI-ZDUSSCGKSA-N 0 0 343.391 0.958 10 0 ECAERN O=C(CCNC(=O)N1CC(NC(=O)C2CC2)C1)NC1CCCCC1 ZINC000190376559 165021379 /nfs/dbraw/zinc/02/13/79/165021379.db2.gz WSZADJAZLIHOTA-UHFFFAOYSA-N 0 0 336.436 0.745 10 0 ECAERN CO[C@@H](C)[C@H](C)NC(=O)N1CCN(c2ccc3nncn3n2)CC1 ZINC000190669749 165023960 /nfs/dbraw/zinc/02/39/60/165023960.db2.gz IGSCODZAAGQMFB-RYUDHWBXSA-N 0 0 333.396 0.379 10 0 ECAERN C[C@@H]1CN(Cc2nnnn2CC(F)(F)F)C[C@@H]1N1CCOCC1 ZINC000190929654 165027085 /nfs/dbraw/zinc/02/70/85/165027085.db2.gz ZMEIKMICNWEKLF-MNOVXSKESA-N 0 0 334.346 0.388 10 0 ECAERN CN1CCO[C@@H](CNC(=O)C(=O)Nc2ccc(C(F)(F)F)cn2)C1 ZINC000193283986 165054564 /nfs/dbraw/zinc/05/45/64/165054564.db2.gz BLQTZVNFZGMFIP-JTQLQIEISA-N 0 0 346.309 0.486 10 0 ECAERN CCCCCNC(=O)[C@@H](C)S(=O)(=O)Cc1nnnn1C(C)C ZINC000195429047 165081184 /nfs/dbraw/zinc/08/11/84/165081184.db2.gz VBQLPTKYJHLFGW-LLVKDONJSA-N 0 0 331.442 0.864 10 0 ECAERN CC(C)n1nnnc1CS(=O)(=O)CC(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000195427586 165081655 /nfs/dbraw/zinc/08/16/55/165081655.db2.gz MICMZQRZJWOFGG-TXEJJXNPSA-N 0 0 343.453 0.673 10 0 ECAERN COC(=O)CCNC(=O)CN1C[C@H](O)C[C@H]1c1cc(F)ccc1F ZINC000246612559 165139778 /nfs/dbraw/zinc/13/97/78/165139778.db2.gz HVUCIXFDGINECG-RISCZKNCSA-N 0 0 342.342 0.752 10 0 ECAERN CCN(C(=O)[C@H](C)N1C[C@H](C)O[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000247008935 165149599 /nfs/dbraw/zinc/14/95/99/165149599.db2.gz RTABOEGAEYOXSN-XUXIUFHCSA-N 0 0 332.466 0.520 10 0 ECAERN CC[C@@H](C)NC(=O)CCNC(=O)N1CCN(CCOC)[C@@H](C)C1 ZINC000246985194 165150549 /nfs/dbraw/zinc/15/05/49/165150549.db2.gz FUBBXNSCPKGAOU-KGLIPLIRSA-N 0 0 328.457 0.653 10 0 ECAERN C[C@@H]1CN([C@H](CNC(=O)CCNC(N)=O)c2cccs2)CCO1 ZINC000246999030 165150870 /nfs/dbraw/zinc/15/08/70/165150870.db2.gz QZSIIPJYUCWMBG-VXGBXAGGSA-N 0 0 340.449 0.685 10 0 ECAERN COCCN1CCN(CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)C[C@H]1C ZINC000247212975 165155502 /nfs/dbraw/zinc/15/55/02/165155502.db2.gz PYTCYDSQJMFDLY-IXDOHACOSA-N 0 0 339.480 0.809 10 0 ECAERN CC[C@H]1CN(C(=O)[C@H](C)NC(=O)c2ccco2)CCN1CCOC ZINC000247227301 165155546 /nfs/dbraw/zinc/15/55/46/165155546.db2.gz VZMPVARUUPIWIO-KBPBESRZSA-N 0 0 337.420 0.967 10 0 ECAERN Cc1cc2ncn(C[C@@H](O)CN3CCOC[C@H]3C(N)=O)c2cc1C ZINC000247254072 165157496 /nfs/dbraw/zinc/15/74/96/165157496.db2.gz XIQSAQMRFOZGEU-BBRMVZONSA-N 0 0 332.404 0.200 10 0 ECAERN CCC(=O)N1CC[C@H](NC(=O)N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)C1 ZINC000248603240 165181067 /nfs/dbraw/zinc/18/10/67/165181067.db2.gz JKFYNCSUODUUTL-RDBSUJKOSA-N 0 0 326.441 0.094 10 0 ECAERN CCn1cc([C@H]2CN(C[C@@H](O)COC3CCOCC3)CCO2)cn1 ZINC000248807331 165187066 /nfs/dbraw/zinc/18/70/66/165187066.db2.gz RRDLYMDIKIBZOV-NVXWUHKLSA-N 0 0 339.436 0.833 10 0 ECAERN CCn1cc([C@@H]2CN(C[C@@H](O)COC3CCOCC3)CCO2)cn1 ZINC000248807334 165187229 /nfs/dbraw/zinc/18/72/29/165187229.db2.gz RRDLYMDIKIBZOV-WBVHZDCISA-N 0 0 339.436 0.833 10 0 ECAERN C[C@@H]1CCCCN1C(=O)CN1CCN(Cc2noc(CN)n2)CC1 ZINC000262138395 165298443 /nfs/dbraw/zinc/29/84/43/165298443.db2.gz DSULHXABZLWOLP-CYBMUJFWSA-N 0 0 336.440 0.047 10 0 ECAERN CN[C@@H](C(=O)Nc1ccc(NS(C)(=O)=O)cc1)c1cnn(C)c1 ZINC000262209047 165308233 /nfs/dbraw/zinc/30/82/33/165308233.db2.gz NWVJOYVSBHEIOP-CYBMUJFWSA-N 0 0 337.405 0.691 10 0 ECAERN COC[C@@H]([NH3+])C(=O)NCc1ccc(N(C)C(=O)c2ccncc2)cc1 ZINC000262278734 165322291 /nfs/dbraw/zinc/32/22/91/165322291.db2.gz LJTSSESRRQMYBW-MRXNPFEDSA-N 0 0 342.399 0.948 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)[C@H](C)NC(=O)c2ccoc2)C1 ZINC000262716186 165375747 /nfs/dbraw/zinc/37/57/47/165375747.db2.gz NPFHZHYVJDIEBH-PKSQDBQZSA-N 0 0 337.376 0.452 10 0 ECAERN C[N@@H+](CC(=O)[O-])C[C@@H]1CN(C(=O)[C@@H]2CCOc3ccccc32)CCO1 ZINC000262865310 165397121 /nfs/dbraw/zinc/39/71/21/165397121.db2.gz CALYOISPTDETJS-UKRRQHHQSA-N 0 0 348.399 0.797 10 0 ECAERN CC[C@@H]1[C@H](CO)CCN1C(=O)NC1CC([N@H+](CC)CC(=O)[O-])C1 ZINC000263458452 287364212 /nfs/dbraw/zinc/36/42/12/287364212.db2.gz IBZMOEPZQFOUTP-GFJIZPEISA-N 0 0 327.425 0.726 10 0 ECAERN C[C@@H](O)CN1CCN(S(=O)(=O)c2ncn(C)c2Cl)C[C@H]1C ZINC000122420238 222083792 /nfs/dbraw/zinc/08/37/92/222083792.db2.gz KPZZQDUPRNGJDT-NXEZZACHSA-N 0 0 336.845 0.149 10 0 ECAERN CC(C)OCCN1CCN(c2cc(N3CCC[C@H]3CO)ncn2)CC1 ZINC000173919661 263149397 /nfs/dbraw/zinc/14/93/97/263149397.db2.gz MZNCHHFRYHNTLB-INIZCTEOSA-N 0 0 349.479 0.985 10 0 ECAERN NC(=O)[C@]1(O)CCCN(C(=O)c2ccc(Br)s2)C1 ZINC000285581159 264324191 /nfs/dbraw/zinc/32/41/91/264324191.db2.gz QJBAHIGNLCFMIE-NSHDSACASA-N 0 0 333.207 0.963 10 0 ECAERN NC(=O)[C@]1(O)CCCN(C(=O)Cc2cccc(Br)c2)C1 ZINC000285756435 264338627 /nfs/dbraw/zinc/33/86/27/264338627.db2.gz ZQCCKZALMDEZDS-AWEZNQCLSA-N 0 0 341.205 0.830 10 0 ECAERN COC(=O)CN(C[C@@H](O)CN1C(=O)c2ccccc2C1=O)C(C)C ZINC000299118604 265338421 /nfs/dbraw/zinc/33/84/21/265338421.db2.gz DXOYUFREJIPVMV-GFCCVEGCSA-N 0 0 334.372 0.527 10 0 ECAERN CCNC(=O)C1CN(C(=O)[C@H]2CC(=O)N(C)[C@@H]2c2ccc(F)cc2)C1 ZINC000120637951 276415174 /nfs/dbraw/zinc/41/51/74/276415174.db2.gz JXNDIAXBDSHMQX-GOEBONIOSA-N 0 0 347.390 0.940 10 0 ECAERN O=C(Cc1csc(N2CCCC2=O)n1)N1CC(NC(=O)C2CC2)C1 ZINC000189379702 437596939 /nfs/dbraw/zinc/59/69/39/437596939.db2.gz QIMBFGUVMDOXEF-UHFFFAOYSA-N 0 0 348.428 0.549 10 0 ECAERN O=C(NC1CN(C(=O)c2cc(N3CCNC3=O)ccc2F)C1)C1CC1 ZINC000189443162 437599279 /nfs/dbraw/zinc/59/92/79/437599279.db2.gz XNQDBNCUVKZRCH-UHFFFAOYSA-N 0 0 346.362 0.706 10 0 ECAERN O=C(Cn1cc(-c2ccccc2)nn1)N1CC(NC(=O)C2CC2)C1 ZINC000189422995 437599283 /nfs/dbraw/zinc/59/92/83/437599283.db2.gz PTOSWKRWRDWEPK-UHFFFAOYSA-N 0 0 325.372 0.682 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)C(=O)Nc2cc(F)ccc2C)CC1 ZINC000189457296 437601828 /nfs/dbraw/zinc/60/18/28/437601828.db2.gz KLEAHGAITHEYBI-CQSZACIVSA-N 0 0 337.395 0.988 10 0 ECAERN CC(C)n1nnnc1CN1CCCN(Cc2nnnn2C(C)C)CC1 ZINC000154749346 280807840 /nfs/dbraw/zinc/80/78/40/280807840.db2.gz GZESVVDFCLLBGM-UHFFFAOYSA-N 0 0 348.459 0.529 10 0 ECAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)N[C@H](C)CS(=O)(=O)CC ZINC000087139282 288634805 /nfs/dbraw/zinc/63/48/05/288634805.db2.gz GKROTRYZDRVETL-GHMZBOCLSA-N 0 0 343.453 0.798 10 0 ECAERN CN(C)C(=O)NCCNC(=O)[C@H]1CCC(=O)N(C)[C@H]1c1ccccc1 ZINC000181040196 288984823 /nfs/dbraw/zinc/98/48/23/288984823.db2.gz WKWBKSGXTFYTHD-HOCLYGCPSA-N 0 0 346.431 0.984 10 0 ECAERN C[C@@]1(C(=O)N[C@H]2CCc3ncnn3C2)Cc2ccccc2C(=O)O1 ZINC000112655455 289148951 /nfs/dbraw/zinc/14/89/51/289148951.db2.gz AWLPJBAMBPIPOQ-SJCJKPOMSA-N 0 0 326.356 0.881 10 0 ECAERN C[C@H](NC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1)C(=O)N(C)C ZINC000179434010 289909229 /nfs/dbraw/zinc/90/92/29/289909229.db2.gz MZYLVCJAIZHKRD-VZJVUDMVSA-N 0 0 335.379 0.938 10 0 ECAERN Cc1nc2c(nccc2C(=O)NC[C@@](C)(O)CN2CCOCC2)[nH]1 ZINC000333098879 297109611 /nfs/dbraw/zinc/10/96/11/297109611.db2.gz CJIQLQMYBOXDTL-MRXNPFEDSA-N 0 0 333.392 0.079 10 0 ECAERN C[C@@H]1COCCN1C(=O)[C@H]1CC[C@H](C(=O)N2CCOC[C@H]2C)O1 ZINC000333313873 297123647 /nfs/dbraw/zinc/12/36/47/297123647.db2.gz JSQADTZPOWSIKA-AAVRWANBSA-N 0 0 326.393 0.029 10 0 ECAERN CCc1nn(C)cc1CNC(=O)NCC1CN(S(=O)(=O)CC)C1 ZINC000333451480 297135320 /nfs/dbraw/zinc/13/53/20/297135320.db2.gz NSFHOCOJLZZVTB-UHFFFAOYSA-N 0 0 343.453 0.063 10 0 ECAERN C[C@H](NC(=O)N1CCS(=O)(=O)C[C@@H](C)C1)C(=O)N1CCCCC1 ZINC000333487608 297137751 /nfs/dbraw/zinc/13/77/51/297137751.db2.gz UAKZQVAPFVJPBD-STQMWFEESA-N 0 0 345.465 0.464 10 0 ECAERN CCn1nccc1N1CCC[C@H](NC(=O)N2C[C@H](C)C[C@H](O)C2)C1=O ZINC000333572296 297142593 /nfs/dbraw/zinc/14/25/93/297142593.db2.gz ITAJIHYUKUQZJT-RDBSUJKOSA-N 0 0 349.435 0.811 10 0 ECAERN CO[C@H]1C[C@@H](CO)N(C(=O)c2cn(-c3ccc(F)cc3C)nn2)C1 ZINC000345490092 298162361 /nfs/dbraw/zinc/16/23/61/298162361.db2.gz VDUYRVIRSARFNL-STQMWFEESA-N 0 0 334.351 0.937 10 0 ECAERN C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000253542920 300318961 /nfs/dbraw/zinc/31/89/61/300318961.db2.gz NQCXBWXIQAZRNO-ONGXEEELSA-N 0 0 329.360 0.745 10 0 ECAERN CO[C@H]1C[C@H](C(=O)Nc2cccc3nccn32)N(S(C)(=O)=O)C1 ZINC000365948981 300499609 /nfs/dbraw/zinc/49/96/09/300499609.db2.gz YTPIRBPAQWRFRJ-WDEREUQCSA-N 0 0 338.389 0.322 10 0 ECAERN CCCC(=O)N1CCCC[C@H]1C(=O)N1CCC[C@](O)(C(N)=O)C1 ZINC000367569880 300621571 /nfs/dbraw/zinc/62/15/71/300621571.db2.gz DSONHMUNAIBNGO-BLLLJJGKSA-N 0 0 325.409 0.006 10 0 ECAERN CC(=O)N[C@@H](Cc1ccc(O)c(I)c1)C(N)=O ZINC000002583506 435967097 /nfs/dbraw/zinc/96/70/97/435967097.db2.gz WEEJPQQOBNMRHS-VIFPVBQESA-N 0 0 348.140 0.529 10 0 ECAERN COC(=O)[C@@H]1CC[C@@H]2CC=NC[C@H](NC(=O)OC(C)(C)C)C(=O)N21 ZINC000071261314 436007234 /nfs/dbraw/zinc/00/72/34/436007234.db2.gz BKLHPWOKTLQBIN-WOPDTQHZSA-N 0 0 339.392 0.887 10 0 ECAERN CC(=O)N1CSC[C@@H]1C(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000371815316 300944266 /nfs/dbraw/zinc/94/42/66/300944266.db2.gz SFRAJIMHHUTPIX-KWCYVHTRSA-N 0 0 327.450 0.087 10 0 ECAERN COc1ccc(S(=O)(=O)NC[C@H]2CN(C)CCO2)cc1Cl ZINC000074773661 436139778 /nfs/dbraw/zinc/13/97/78/436139778.db2.gz BMSZUMIDCGFCBI-JTQLQIEISA-N 0 0 334.825 0.958 10 0 ECAERN O=C1NCCc2ccc(S(=O)(=O)N3C[C@@H](F)C[C@H]3CO)cc21 ZINC000372432378 301000967 /nfs/dbraw/zinc/00/09/67/301000967.db2.gz UNJREAKFCKTXPH-QWRGUYRKSA-N 0 0 328.365 0.066 10 0 ECAERN CNS(=O)(=O)c1ccc(N2CCC[C@@H]2Cn2cncn2)c(F)c1 ZINC000378334358 301431061 /nfs/dbraw/zinc/43/10/61/301431061.db2.gz LWVYLJRCPBISTF-LLVKDONJSA-N 0 0 339.396 0.994 10 0 ECAERN NS(=O)(=O)c1cccc(S(=O)(=O)NCC[C@H]2CCCO2)c1 ZINC000044315817 436339645 /nfs/dbraw/zinc/33/96/45/436339645.db2.gz GCBALZYNOMRBMI-SNVBAGLBSA-N 0 0 334.419 0.181 10 0 ECAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)N[C@@H](C)CN1CCOCC1 ZINC000087037633 436396297 /nfs/dbraw/zinc/39/62/97/436396297.db2.gz CSOZDFTYCLTZNN-QWHCGFSZSA-N 0 0 336.440 0.695 10 0 ECAERN Cc1ccc([C@@H](C)NC(=O)CNS(=O)(=O)c2cn(C)cn2)o1 ZINC000088577679 436402514 /nfs/dbraw/zinc/40/25/14/436402514.db2.gz YGJLOFMSRYPQOR-SNVBAGLBSA-N 0 0 326.378 0.477 10 0 ECAERN COc1ccc(C(=O)NCC(=O)N[C@H]2CCCn3nc(C)nc32)cc1 ZINC000081813152 436357131 /nfs/dbraw/zinc/35/71/31/436357131.db2.gz JNBXKKDCXZTXBJ-AWEZNQCLSA-N 0 0 343.387 0.976 10 0 ECAERN C[C@@H](CNC(=O)C(=O)Nc1cccnc1Cl)N1CCOCC1 ZINC000091193841 436442835 /nfs/dbraw/zinc/44/28/35/436442835.db2.gz XCBWUXNTNIPRBB-JTQLQIEISA-N 0 0 326.784 0.510 10 0 ECAERN Cc1cc(C)n(-c2ccc(C(=O)N3CCOC[C@@H]3C(N)=O)cc2F)n1 ZINC000091779726 436461270 /nfs/dbraw/zinc/46/12/70/436461270.db2.gz OXCMRCVTCQHDKV-OAHLLOKOSA-N 0 0 346.362 0.955 10 0 ECAERN CN(C)C[C@H](NC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccccc1 ZINC000047594682 436423976 /nfs/dbraw/zinc/42/39/76/436423976.db2.gz YCLCPZJTKYGGAV-KGLIPLIRSA-N 0 0 325.434 0.776 10 0 ECAERN CCNS(=O)(=O)[C@@H]1CCN(c2cncc(-n3ccnc3C)n2)C1 ZINC000092941376 436477986 /nfs/dbraw/zinc/47/79/86/436477986.db2.gz ZMIYWOBSQNJUGO-GFCCVEGCSA-N 0 0 336.421 0.489 10 0 ECAERN CN(C)C(=O)[C@H]1CCCN1CC(=O)NCCN1CCc2ccccc21 ZINC000051591470 436492355 /nfs/dbraw/zinc/49/23/55/436492355.db2.gz CAVVGVYLNFSPNX-QGZVFWFLSA-N 0 0 344.459 0.718 10 0 ECAERN CC(C)NC(=O)NC(=O)[C@H](C)N1CCCN(c2cccnn2)CC1 ZINC000105799228 436577433 /nfs/dbraw/zinc/57/74/33/436577433.db2.gz RSFJDUDZDLJCMV-ZDUSSCGKSA-N 0 0 334.424 0.611 10 0 ECAERN Cc1noc(COC2CCN(S(=O)(=O)c3c[nH]cn3)CC2)n1 ZINC000097942440 436543220 /nfs/dbraw/zinc/54/32/20/436543220.db2.gz MQSMZJAATRJZNJ-UHFFFAOYSA-N 0 0 327.366 0.471 10 0 ECAERN Cc1nnc(CN2CCN(CC(=O)NC3CCC(C)CC3)CC2)n1C ZINC000102930431 436554420 /nfs/dbraw/zinc/55/44/20/436554420.db2.gz POHVYFXYEPHUDZ-UHFFFAOYSA-N 0 0 348.495 0.936 10 0 ECAERN Cc1nc(CN2CCCN(C(=O)[C@H](C)NC(N)=O)CC2)cs1 ZINC000105819179 436579648 /nfs/dbraw/zinc/57/96/48/436579648.db2.gz KTRUDDZXZVSOCD-JTQLQIEISA-N 0 0 325.438 0.543 10 0 ECAERN CN1CCO[C@@H](CNC(=O)NCCCN2CCCCCC2=O)C1 ZINC000104776992 436562276 /nfs/dbraw/zinc/56/22/76/436562276.db2.gz HQVPZPWBAHYYND-AWEZNQCLSA-N 0 0 326.441 0.409 10 0 ECAERN CN1CCO[C@@H](CNC(=O)NCc2ccc(N3CCCC3)nc2)C1 ZINC000104781116 436562583 /nfs/dbraw/zinc/56/25/83/436562583.db2.gz KBLREWOCWCKZGL-HNNXBMFYSA-N 0 0 333.436 0.812 10 0 ECAERN CN1CCO[C@@H](CNC(=O)NCc2ccnc(N3CCCC3)c2)C1 ZINC000104780814 436563994 /nfs/dbraw/zinc/56/39/94/436563994.db2.gz SRTHXHAYJLQLNA-HNNXBMFYSA-N 0 0 333.436 0.812 10 0 ECAERN CCc1nc2n(n1)C[C@@H](Nc1ncc(S(N)(=O)=O)s1)CC2 ZINC000108948787 436622774 /nfs/dbraw/zinc/62/27/74/436622774.db2.gz BORKCQALVIJBDQ-ZETCQYMHSA-N 0 0 328.423 0.371 10 0 ECAERN O=C(CN1CCO[C@H](Cn2cccn2)C1)NC(=O)NCc1ccco1 ZINC000105888260 436585447 /nfs/dbraw/zinc/58/54/47/436585447.db2.gz JAZFUZYLDGMGSH-AWEZNQCLSA-N 0 0 347.375 0.203 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)CNC(=O)c2ccccc2C)CC1 ZINC000106403298 436595104 /nfs/dbraw/zinc/59/51/04/436595104.db2.gz NLHUEYIXJCNOFY-HNNXBMFYSA-N 0 0 333.432 0.640 10 0 ECAERN Cc1cnn(C[C@@H]2CN(Cc3cc(=O)n4nccc4[nH]3)CCO2)c1 ZINC000108867869 436621186 /nfs/dbraw/zinc/62/11/86/436621186.db2.gz JXTDFFPFIKYRGB-AWEZNQCLSA-N 0 0 328.376 0.429 10 0 ECAERN C[C@@H](NC(=O)NCCN1C(=O)CNC1=O)c1ccc(F)c(F)c1 ZINC000113368838 436637386 /nfs/dbraw/zinc/63/73/86/436637386.db2.gz GHUMHAOAPYCZNX-MRVPVSSYSA-N 0 0 326.303 0.877 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)c1sccc1-n1cnnn1)CC2 ZINC000114872567 436644694 /nfs/dbraw/zinc/64/46/94/436644694.db2.gz WOAMDPSTKNPNPK-SECBINFHSA-N 0 0 344.404 0.623 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)CNC(=O)c1cccs1)CC2 ZINC000114890640 436644769 /nfs/dbraw/zinc/64/47/69/436644769.db2.gz TURUXHZZWKZPOV-SNVBAGLBSA-N 0 0 333.417 0.763 10 0 ECAERN Cc1ccc(-c2cc(C(=O)NC[C@H](O)CN3CCOCC3)[nH]n2)o1 ZINC000193712937 436651810 /nfs/dbraw/zinc/65/18/10/436651810.db2.gz KSEOWLGNYXKDJR-LBPRGKRZSA-N 0 0 334.376 0.401 10 0 ECAERN CCc1nnc([C@H]2CN(C(=O)NC[C@@H](C)Cn3cccn3)CCO2)[nH]1 ZINC000137224316 436658396 /nfs/dbraw/zinc/65/83/96/436658396.db2.gz VPUIRHFJHZKXAE-CHWSQXEVSA-N 0 0 347.423 0.983 10 0 ECAERN O=C(NC[C@H](O)CN1CCOCC1)c1cc(-c2cccnc2)on1 ZINC000120410892 436686704 /nfs/dbraw/zinc/68/67/04/436686704.db2.gz QMFSKUJIBMLOAJ-ZDUSSCGKSA-N 0 0 332.360 0.160 10 0 ECAERN CC(=O)N1CSC[C@@H]1C(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000150711938 436687818 /nfs/dbraw/zinc/68/78/18/436687818.db2.gz RTIAMCNGLAYAOW-VXGBXAGGSA-N 0 0 337.449 0.754 10 0 ECAERN COCCn1ccc(NC(=O)N2CCO[C@@H](Cn3cc(C)cn3)C2)n1 ZINC000150817748 436691464 /nfs/dbraw/zinc/69/14/64/436691464.db2.gz ACRFNWFMGSOPLM-CQSZACIVSA-N 0 0 348.407 0.967 10 0 ECAERN CCNC(=O)C1CN(C(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(F)cc2)C1 ZINC000120637820 436694739 /nfs/dbraw/zinc/69/47/39/436694739.db2.gz JXNDIAXBDSHMQX-GDBMZVCRSA-N 0 0 347.390 0.940 10 0 ECAERN CCc1nnc([C@@H]2CN(C(=O)Cn3ccc(C)cc3=O)CCO2)[nH]1 ZINC000194771054 436670135 /nfs/dbraw/zinc/67/01/35/436670135.db2.gz KYQVBHSGVCJHPK-LBPRGKRZSA-N 0 0 331.376 0.437 10 0 ECAERN CCCCOC[C@@H](O)CN1CCN(Cc2noc(CC)n2)CC1 ZINC000195189925 436683011 /nfs/dbraw/zinc/68/30/11/436683011.db2.gz NCNCDEAYOWTAEX-AWEZNQCLSA-N 0 0 326.441 0.927 10 0 ECAERN O=C(NCC[S@](=O)Cc1ccccc1)N[C@H]1CCc2ncnn2C1 ZINC000120359637 436684999 /nfs/dbraw/zinc/68/49/99/436684999.db2.gz VVDYQQCXKNMGSX-LFPIHBKWSA-N 0 0 347.444 0.841 10 0 ECAERN CCC[C@H](C(=O)NC[C@@H](O)CS(=O)(=O)c1cccs1)N(C)C ZINC000120394155 436685802 /nfs/dbraw/zinc/68/58/02/436685802.db2.gz UOWAVZRJWHEYNQ-VXGBXAGGSA-N 0 0 348.490 0.729 10 0 ECAERN C[C@H](CNC(=O)NC[C@@]1(O)CCc2ccccc21)N1CCOCC1 ZINC000121634961 436721502 /nfs/dbraw/zinc/72/15/02/436721502.db2.gz ZYZPQBUKQHRUPA-KDOFPFPSSA-N 0 0 333.432 0.840 10 0 ECAERN Cc1cnn(CCNC(=O)c2coc(S(=O)(=O)N(C)C)c2)c1 ZINC000152357827 436727771 /nfs/dbraw/zinc/72/77/71/436727771.db2.gz OKVFLFBZABCZSA-UHFFFAOYSA-N 0 0 326.378 0.465 10 0 ECAERN O=C(NC[C@H]1CCCS1(=O)=O)N1CCC(c2cc[nH]n2)CC1 ZINC000124605338 436753238 /nfs/dbraw/zinc/75/32/38/436753238.db2.gz KTSSRHYQONPHMC-GFCCVEGCSA-N 0 0 326.422 0.876 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)NCCCO[C@@H]1CCOC1)CC2 ZINC000121512966 436718331 /nfs/dbraw/zinc/71/83/31/436718331.db2.gz TYFFVBVSYXIUGQ-QWHCGFSZSA-N 0 0 337.424 0.650 10 0 ECAERN O=C([C@H]1CCCN1S(=O)(=O)c1ccccc1)N1CCC(O)CC1 ZINC000127941611 436809540 /nfs/dbraw/zinc/80/95/40/436809540.db2.gz QVBLMTWKBWQBBP-OAHLLOKOSA-N 0 0 338.429 0.823 10 0 ECAERN CNC(=O)[C@@H]1CCCN1C(=O)NCc1nncn1-c1ccccc1 ZINC000156100305 436809705 /nfs/dbraw/zinc/80/97/05/436809705.db2.gz IEHHZEYMYIVLQH-ZDUSSCGKSA-N 0 0 328.376 0.687 10 0 ECAERN CCN(Cc1ccccc1)C(=O)CNC(=O)N1CCC[C@H]1C(=O)NC ZINC000156592668 436818327 /nfs/dbraw/zinc/81/83/27/436818327.db2.gz VLFMOBJGCBICDG-HNNXBMFYSA-N 0 0 346.431 0.955 10 0 ECAERN NC(=O)[C@@H]1CN(C[C@H](O)COCc2ccc(Cl)cc2)CCO1 ZINC000125674045 436774906 /nfs/dbraw/zinc/77/49/06/436774906.db2.gz CLYJRJOWBAYFEV-KBPBESRZSA-N 0 0 328.796 0.404 10 0 ECAERN Cc1cnn(C[C@H]2CN(S(=O)(=O)N3CCC[C@@H](C)C3)CCO2)c1 ZINC000246684170 436784557 /nfs/dbraw/zinc/78/45/57/436784557.db2.gz VSFBXBQVAACVAF-HIFRSBDPSA-N 0 0 342.465 0.869 10 0 ECAERN O=C(CNC(=O)c1cccnc1)N1CC[C@H](Oc2cccnc2)C1 ZINC000127115595 436796847 /nfs/dbraw/zinc/79/68/47/436796847.db2.gz NBZCXJAVLQZAFW-HNNXBMFYSA-N 0 0 326.356 0.886 10 0 ECAERN Cc1cccc(S(=O)(=O)CCCN2CCOC[C@@H]2C(N)=O)c1 ZINC000155763970 436801867 /nfs/dbraw/zinc/80/18/67/436801867.db2.gz WBTWWPSDGJPLOS-CQSZACIVSA-N 0 0 326.418 0.345 10 0 ECAERN CN(C)C(=O)CNC(=O)N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000157342581 436826807 /nfs/dbraw/zinc/82/68/07/436826807.db2.gz DCNIUQCCPYSOGH-LBPRGKRZSA-N 0 0 334.424 0.939 10 0 ECAERN C[C@@H]1CN(C(=O)c2cc(Br)cn2C)C[C@@H](C(N)=O)O1 ZINC000157443856 436828116 /nfs/dbraw/zinc/82/81/16/436828116.db2.gz SYJWVQSAEGFCCI-XCBNKYQSSA-N 0 0 330.182 0.502 10 0 ECAERN CN1CCO[C@@H](CN[C@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000162109354 436902156 /nfs/dbraw/zinc/90/21/56/436902156.db2.gz MHPQPIHCKZBMOF-STQMWFEESA-N 0 0 342.237 0.896 10 0 ECAERN CN(C)c1ncccc1O[C@H]1CCN(C(=O)CCn2cncn2)C1 ZINC000275389134 436963087 /nfs/dbraw/zinc/96/30/87/436963087.db2.gz AMOHAHLQMWNKOS-ZDUSSCGKSA-N 0 0 330.392 0.809 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)N[C@H]2c3ccccc3C[C@H]2O)C1 ZINC000263462121 436967328 /nfs/dbraw/zinc/96/73/28/436967328.db2.gz IZAFSCHHSHRXBP-SGALNCENSA-N 0 0 347.415 0.881 10 0 ECAERN CC(=O)N(CCC(=O)NC[C@H]1CN(C)CCO1)Cc1ccccc1 ZINC000171135484 436970125 /nfs/dbraw/zinc/97/01/25/436970125.db2.gz JRZIVTDJVZTKNJ-KRWDZBQOSA-N 0 0 333.432 0.872 10 0 ECAERN CO[C@@H](C)CS(=O)(=O)NC1CC([N@@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263512346 436970355 /nfs/dbraw/zinc/97/03/55/436970355.db2.gz YHYSKIUZPBDSFO-PKSQDBQZSA-N 0 0 334.438 0.268 10 0 ECAERN O=C(NC[C@@]1(N2CCOCC2)CCSC1)[C@@H]1CC(F)(F)CN1 ZINC000263075227 436951038 /nfs/dbraw/zinc/95/10/38/436951038.db2.gz XBBJODUFGNCVLX-AAEUAGOBSA-N 0 0 335.420 0.308 10 0 ECAERN CCS(=O)(=O)NCCCNC(=O)N1CCC[C@@H]1c1cnn(C)c1 ZINC000170891707 436958031 /nfs/dbraw/zinc/95/80/31/436958031.db2.gz BNKQJESBUKCZKQ-CYBMUJFWSA-N 0 0 343.453 0.596 10 0 ECAERN CN1CCO[C@@H](CNC(=O)NCc2ccc(N3CCCC3=O)cc2)C1 ZINC000170920260 436960937 /nfs/dbraw/zinc/96/09/37/436960937.db2.gz IMGPLDVXDUPIRC-INIZCTEOSA-N 0 0 346.431 0.943 10 0 ECAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)NC[C@@H]1CN(C)CCO1)CC2 ZINC000172583550 437021156 /nfs/dbraw/zinc/02/11/56/437021156.db2.gz KUBJCUDWGYZUMQ-CHWSQXEVSA-N 0 0 336.440 0.346 10 0 ECAERN CN(C)C(=O)c1cccc(C(=O)N2CC[C@@H](N3CCOCC3)C2)c1 ZINC000172743150 437026817 /nfs/dbraw/zinc/02/68/17/437026817.db2.gz NLWMHNDMIFFOGE-MRXNPFEDSA-N 0 0 331.416 0.935 10 0 ECAERN O=C(Cc1ccccc1)NCCC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000172757298 437029680 /nfs/dbraw/zinc/02/96/80/437029680.db2.gz WPGDZOLWKQMLHV-KRWDZBQOSA-N 0 0 345.443 0.669 10 0 ECAERN CC(C)c1nc2c(n1C)CCN(C(=O)CCNS(C)(=O)=O)C2 ZINC000172003491 436995619 /nfs/dbraw/zinc/99/56/19/436995619.db2.gz JBXRXLSMGRSJEG-UHFFFAOYSA-N 0 0 328.438 0.368 10 0 ECAERN COCCN1CCN(C(=O)NCCc2c(C)nn(C)c2C)C[C@H]1C ZINC000172327239 437010068 /nfs/dbraw/zinc/01/00/68/437010068.db2.gz GUTWLQBUYOZMSJ-CYBMUJFWSA-N 0 0 337.468 0.942 10 0 ECAERN CNc1cc(N2CCC[C@H]2CNC(=O)CCn2cccn2)ncn1 ZINC000173435641 437049707 /nfs/dbraw/zinc/04/97/07/437049707.db2.gz PWNKISBNHZJQQR-ZDUSSCGKSA-N 0 0 329.408 0.890 10 0 ECAERN Cc1nnc([C@@H]2CN(C(=O)c3cc(-n4cccn4)ccn3)CCO2)[nH]1 ZINC000173529034 437054378 /nfs/dbraw/zinc/05/43/78/437054378.db2.gz YZUCWHCFMANGSQ-AWEZNQCLSA-N 0 0 339.359 0.908 10 0 ECAERN NC(=O)COc1cccc(CNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000173511530 437055399 /nfs/dbraw/zinc/05/53/99/437055399.db2.gz XELYPJBXQGPVOC-CQSZACIVSA-N 0 0 332.404 0.540 10 0 ECAERN Cc1nnc([C@@H]2CN(Cc3nc4ccccc4c(=O)n3C)CCO2)[nH]1 ZINC000173664558 437060669 /nfs/dbraw/zinc/06/06/69/437060669.db2.gz WSCLCPVXVMEAHV-AWEZNQCLSA-N 0 0 340.387 0.934 10 0 ECAERN CCc1nc(C2(NCC(=O)N[C@H](C)C(=O)N(C)C)CCCC2)no1 ZINC000173694779 437061075 /nfs/dbraw/zinc/06/10/75/437061075.db2.gz QRRNVUVNNYZHCD-LLVKDONJSA-N 0 0 337.424 0.584 10 0 ECAERN O=C(c1ccccc1Cn1cncn1)N1CC[C@H](N2CCOCC2)C1 ZINC000173764118 437061593 /nfs/dbraw/zinc/06/15/93/437061593.db2.gz KAFGMRHOWUSJEZ-INIZCTEOSA-N 0 0 341.415 0.873 10 0 ECAERN CC(C)(CNC(=O)N1CC[C@H](N2CCOCC2)C1)N1CCOCC1 ZINC000173765304 437062566 /nfs/dbraw/zinc/06/25/66/437062566.db2.gz DYYNUPCQMPIOSJ-HNNXBMFYSA-N 0 0 340.468 0.213 10 0 ECAERN NC(=O)c1cccc(CNC(=O)N2CC[C@@H](N3CCOCC3)C2)c1 ZINC000173773974 437063760 /nfs/dbraw/zinc/06/37/60/437063760.db2.gz CPEIKJOSXYOPAX-OAHLLOKOSA-N 0 0 332.404 0.402 10 0 ECAERN CC1(C)COCCN1CCNC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000173892350 437069096 /nfs/dbraw/zinc/06/90/96/437069096.db2.gz XFKUITDTNHSCPG-HNNXBMFYSA-N 0 0 340.468 0.213 10 0 ECAERN Cc1nc(CN2CCCN(C(=O)N[C@@H](C)C(=O)N(C)C)CC2)no1 ZINC000173977165 437071507 /nfs/dbraw/zinc/07/15/07/437071507.db2.gz WDWPPPWKKHRNIY-NSHDSACASA-N 0 0 338.412 0.072 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)NC[C@](C)(O)c1ccco1)CC2 ZINC000174965494 437091834 /nfs/dbraw/zinc/09/18/34/437091834.db2.gz CFSCOMRFGFKEEE-BZNIZROVSA-N 0 0 333.392 0.955 10 0 ECAERN Cc1cc(N2CCC[C@H](NC(=O)CN3CCCCC3=O)C2=O)n(C)n1 ZINC000175009585 437092105 /nfs/dbraw/zinc/09/21/05/437092105.db2.gz MVPNZIWZKJMCIQ-ZDUSSCGKSA-N 0 0 347.419 0.353 10 0 ECAERN Cc1nnc([C@H]2CN(C(=O)NCC[S@@](=O)C(C)(C)C)CCO2)[nH]1 ZINC000175546629 437110325 /nfs/dbraw/zinc/11/03/25/437110325.db2.gz IGWOBRLYPMSFHM-QVQLBTGDSA-N 0 0 343.453 0.743 10 0 ECAERN NC(=O)c1ccc(OCCC(=O)N[C@@H]2CCc3ncnn3C2)cc1 ZINC000176372204 437140972 /nfs/dbraw/zinc/14/09/72/437140972.db2.gz BQCNAGONRNZBAW-GFCCVEGCSA-N 0 0 329.360 0.277 10 0 ECAERN CCC1(CC)CN(c2nn3c(nccc3=O)s2)CCS1(=O)=O ZINC000302466601 437143108 /nfs/dbraw/zinc/14/31/08/437143108.db2.gz SSNLMDZLAXCFMG-UHFFFAOYSA-N 0 0 342.446 0.945 10 0 ECAERN CCS(=O)(=O)N1CC(CNc2nccn3c2nnc3C2CC2)C1 ZINC000302514242 437146013 /nfs/dbraw/zinc/14/60/13/437146013.db2.gz AEXYIYNFXRDEJZ-UHFFFAOYSA-N 0 0 336.421 0.695 10 0 ECAERN Cc1ccc([C@@H](CNC(=O)CCNC(N)=O)N2CCOCC2)s1 ZINC000176558083 437148309 /nfs/dbraw/zinc/14/83/09/437148309.db2.gz VABSTGFIVDAJIL-GFCCVEGCSA-N 0 0 340.449 0.604 10 0 ECAERN CNS(=O)(=O)c1ccc(CNc2nc3c(cnn3C)c(N)n2)cc1 ZINC000302828310 437150528 /nfs/dbraw/zinc/15/05/28/437150528.db2.gz INQPMWUTXCSKBZ-UHFFFAOYSA-N 0 0 347.404 0.466 10 0 ECAERN CC[C@@H]1CN(C(=O)CC2(CS(C)(=O)=O)CC2)CCN1CCOC ZINC000176860307 437159273 /nfs/dbraw/zinc/15/92/73/437159273.db2.gz XBGMWQMXXCZPJW-CQSZACIVSA-N 0 0 346.493 0.771 10 0 ECAERN Cc1nnc([C@H]2CN(S(=O)(=O)c3sc(C)nc3C)CCO2)[nH]1 ZINC000176950353 437163297 /nfs/dbraw/zinc/16/32/97/437163297.db2.gz VEHUJABJQBTAOY-SNVBAGLBSA-N 0 0 343.434 0.949 10 0 ECAERN Cc1cc(C(=O)N[C@H]2CCCn3ncnc32)cc(S(N)(=O)=O)c1C ZINC000175821243 437117210 /nfs/dbraw/zinc/11/72/10/437117210.db2.gz NSKQKOPWQUIFIO-LBPRGKRZSA-N 0 0 349.416 0.807 10 0 ECAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)N1CCN(c2cnn(C)c2)CC1 ZINC000175883517 437120548 /nfs/dbraw/zinc/12/05/48/437120548.db2.gz ADMXGVVBLHGAMG-CQSZACIVSA-N 0 0 344.423 0.687 10 0 ECAERN CCOCCN1CCN(C(=O)C(=O)Nc2nc(C)cs2)C[C@@H]1C ZINC000176036841 437127917 /nfs/dbraw/zinc/12/79/17/437127917.db2.gz VKYYGYFPHUADHI-LBPRGKRZSA-N 0 0 340.449 0.959 10 0 ECAERN COCCn1cc(NC(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)cn1 ZINC000177230120 437174443 /nfs/dbraw/zinc/17/44/43/437174443.db2.gz SZDFRSRZSNNIMZ-ZFWWWQNUSA-N 0 0 337.424 0.714 10 0 ECAERN CNC(=O)Cc1nc(CN2CCO[C@H](Cn3cc(C)cn3)C2)cs1 ZINC000177599807 437191745 /nfs/dbraw/zinc/19/17/45/437191745.db2.gz HATHFOZVBGBFER-AWEZNQCLSA-N 0 0 349.460 0.838 10 0 ECAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)C(=O)Nc3cccnc3)CCO2)n1 ZINC000177657028 437194728 /nfs/dbraw/zinc/19/47/28/437194728.db2.gz BEWSSVDQEOQBIP-HNNXBMFYSA-N 0 0 343.387 0.761 10 0 ECAERN CCCNC(=O)[C@H]1CCCN(C(=O)N[C@@H](C(=O)NC)C(C)C)C1 ZINC000178442824 437216898 /nfs/dbraw/zinc/21/68/98/437216898.db2.gz KVMWHFXFQWOXLA-QWHCGFSZSA-N 0 0 326.441 0.705 10 0 ECAERN CNC(=O)[C@H](NC(=O)N1CCO[C@@H](Cn2cc(C)cn2)C1)C(C)C ZINC000178410088 437214426 /nfs/dbraw/zinc/21/44/26/437214426.db2.gz YXCIGWANBAKUEP-ZIAGYGMSSA-N 0 0 337.424 0.373 10 0 ECAERN CNC(=O)[C@H](NC(=O)CCc1c(C)nc2ncnn2c1C)C(C)C ZINC000178719173 437224027 /nfs/dbraw/zinc/22/40/27/437224027.db2.gz NHWSFBGLZWFNDI-CQSZACIVSA-N 0 0 332.408 0.561 10 0 ECAERN COC[C@H](NC(=O)N[C@H]1CCCN(c2cc(C)nn2C)C1=O)C1CC1 ZINC000178739108 437227253 /nfs/dbraw/zinc/22/72/53/437227253.db2.gz PEGPTXOZMMWXTB-KBPBESRZSA-N 0 0 349.435 0.948 10 0 ECAERN CNC(=O)[C@H](NC(=O)C[C@H](NC(N)=O)c1ccccc1C)C(C)C ZINC000178845338 437233317 /nfs/dbraw/zinc/23/33/17/437233317.db2.gz SFNHKTFMLGSXJM-DZGCQCFKSA-N 0 0 334.420 0.981 10 0 ECAERN COC[C@H](C)S(=O)(=O)N1CC[C@@](O)(c2nc(C3CC3)no2)C1 ZINC000328609204 437240235 /nfs/dbraw/zinc/24/02/35/437240235.db2.gz CKWWARXEMRLGTL-ZANVPECISA-N 0 0 331.394 0.205 10 0 ECAERN Cc1cn2nc(N3CC(N4CCn5c(C)nnc5C4)C3)sc2n1 ZINC000328624864 437241100 /nfs/dbraw/zinc/24/11/00/437241100.db2.gz CRQCNRAGZUZDGZ-UHFFFAOYSA-N 0 0 330.421 0.704 10 0 ECAERN CN(C[C@H]1CN(C(=O)C2=COCCC2)CCO1)c1nccn(C)c1=O ZINC000328631915 437243132 /nfs/dbraw/zinc/24/31/32/437243132.db2.gz KYKIVZQZXHCXBO-AWEZNQCLSA-N 0 0 348.403 0.138 10 0 ECAERN Cc1nc2c(s1)CCC[C@H]2CN(C)C(=O)Cn1ncn(C)c1=O ZINC000328641817 437243711 /nfs/dbraw/zinc/24/37/11/437243711.db2.gz YALQQTDASGVVTL-NSHDSACASA-N 0 0 335.433 0.925 10 0 ECAERN Nc1ccc(N[C@@H]2CCCN(C(=O)CN3CC(=O)NC3=O)CC2)cn1 ZINC000328641677 437244339 /nfs/dbraw/zinc/24/43/39/437244339.db2.gz QSALBMWVQSPRGZ-LLVKDONJSA-N 0 0 346.391 0.849 10 0 ECAERN Cc1cc(N2CCO[C@H](CN(C)c3nccn(C)c3=O)C2)nnc1C ZINC000328644055 437247406 /nfs/dbraw/zinc/24/74/06/437247406.db2.gz RPCAJMOBDQYPDS-CQSZACIVSA-N 0 0 344.419 0.529 10 0 ECAERN O=C(CN1C[C@@H](O)C[C@@H]1CO)NCCOc1ccc(Cl)cc1 ZINC000179183957 437256015 /nfs/dbraw/zinc/25/60/15/437256015.db2.gz RBCHHBKFKAFKRV-OLZOCXBDSA-N 0 0 328.796 0.263 10 0 ECAERN NC(=O)[C@@H]1COCCN1S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000179687662 437271363 /nfs/dbraw/zinc/27/13/63/437271363.db2.gz QRCKSNDOYOWTOU-VIFPVBQESA-N 0 0 339.200 0.868 10 0 ECAERN C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2F)C[C@H]1N1CCOCC1 ZINC000180259634 437284659 /nfs/dbraw/zinc/28/46/59/437284659.db2.gz OPECNAOYQRCVEX-IUODEOHRSA-N 0 0 335.379 0.943 10 0 ECAERN Cc1cc(=O)n(C)cc1NC(=O)C(=O)N1CCC[C@H]1c1cnn(C)c1 ZINC000183040433 437372465 /nfs/dbraw/zinc/37/24/65/437372465.db2.gz ZYWPGKFSCBYBHP-AWEZNQCLSA-N 0 0 343.387 0.729 10 0 ECAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)NCCCOCCO)CC2 ZINC000181593731 437325059 /nfs/dbraw/zinc/32/50/59/437325059.db2.gz BLHBSTOZPQOYAG-LBPRGKRZSA-N 0 0 325.413 0.415 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)NCCN2CCOCC2(C)C)CC1 ZINC000181695299 437327577 /nfs/dbraw/zinc/32/75/77/437327577.db2.gz DFAHRRXTVSEUPF-HNNXBMFYSA-N 0 0 342.484 0.195 10 0 ECAERN CC(C)C[C@@H]1C(=O)NCCN1C(=O)[C@@H]1CC[C@H](C(=O)N(C)C)O1 ZINC000329715974 437405609 /nfs/dbraw/zinc/40/56/09/437405609.db2.gz VUBKILCPQMGXHV-UPJWGTAASA-N 0 0 325.409 0.836 10 0 ECAERN Cc1ccccc1Nc1nc(N)nc(CN2C[C@@H](O)C[C@@H]2CO)n1 ZINC000184728263 437410781 /nfs/dbraw/zinc/41/07/81/437410781.db2.gz HHDVIIVVPAPVML-NEPJUHHUSA-N 0 0 330.392 0.433 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)NC2CC[NH+](CCOC)CC2)CC1 ZINC000184964555 437421010 /nfs/dbraw/zinc/42/10/10/437421010.db2.gz DJDGXIRUJIZFJB-INIZCTEOSA-N 0 0 342.484 0.195 10 0 ECAERN Cc1cc(NC(=O)CN2C[C@@H](O)C[C@@H]2CO)n(-c2ccccc2F)n1 ZINC000185135591 437426979 /nfs/dbraw/zinc/42/69/79/437426979.db2.gz MAEHCAIYVFQVPB-OLZOCXBDSA-N 0 0 348.378 0.686 10 0 ECAERN OC[C@H]1C[C@@H](O)CN1Cc1nnnn1-c1ccc(OC(F)F)cc1 ZINC000185153108 437427279 /nfs/dbraw/zinc/42/72/79/437427279.db2.gz MZGCWVSCIRKFRR-GHMZBOCLSA-N 0 0 341.318 0.191 10 0 ECAERN O=C(CN1C[C@@H](O)C[C@@H]1CO)NCCOc1cccc(Cl)c1 ZINC000185165206 437430181 /nfs/dbraw/zinc/43/01/81/437430181.db2.gz JGDZEAUVYCMWGQ-OLZOCXBDSA-N 0 0 328.796 0.263 10 0 ECAERN CO[C@@H]1C[C@@H](CO)N(C(=O)Cn2nnc(-c3ccc(C)cc3)n2)C1 ZINC000338172632 437398541 /nfs/dbraw/zinc/39/85/41/437398541.db2.gz RYUWKKVGZXWFCJ-UONOGXRCSA-N 0 0 331.376 0.257 10 0 ECAERN Cc1nnc([C@@H]2CN(C(=O)Nc3nc4ccccn4n3)CCO2)[nH]1 ZINC000184404034 437400260 /nfs/dbraw/zinc/40/02/60/437400260.db2.gz LCGQUOMUKBYMIW-JTQLQIEISA-N 0 0 328.336 0.761 10 0 ECAERN COCC(=O)NC1CN(C(=O)c2ccc(Br)cc2O)C1 ZINC000186310766 437469610 /nfs/dbraw/zinc/46/96/10/437469610.db2.gz ZAHDRHKJNQEBIL-UHFFFAOYSA-N 0 0 343.177 0.742 10 0 ECAERN Cc1cc(NC(=O)C(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)n(C)n1 ZINC000186311347 437469792 /nfs/dbraw/zinc/46/97/92/437469792.db2.gz GLVSMGWLJLMDIS-STQMWFEESA-N 0 0 348.428 0.963 10 0 ECAERN COCC(=O)NC1CN(C(=O)c2nc(C(C)C)ncc2Cl)C1 ZINC000186320040 437470217 /nfs/dbraw/zinc/47/02/17/437470217.db2.gz WVPMYPPWDKLDPC-UHFFFAOYSA-N 0 0 326.784 0.840 10 0 ECAERN Cn1cnc(S(=O)(=O)N2CC(NC(=O)C3CCC3)C2)c1Cl ZINC000186174941 437462237 /nfs/dbraw/zinc/46/22/37/437462237.db2.gz OQNUCVAUOVLOJN-UHFFFAOYSA-N 0 0 332.813 0.363 10 0 ECAERN CNC(=O)c1cccc(CCNC(=O)N2CC(NC(=O)C3CC3)C2)c1 ZINC000187230217 437494352 /nfs/dbraw/zinc/49/43/52/437494352.db2.gz RBBAJZDAIIQWKA-UHFFFAOYSA-N 0 0 344.415 0.509 10 0 ECAERN CC(C)c1nnc2n1C[C@@H](NC(=O)N1CCN(C)C(=O)[C@H]1C)CC2 ZINC000187782855 437514879 /nfs/dbraw/zinc/51/48/79/437514879.db2.gz QQHSMTTYSQZFPR-NEPJUHHUSA-N 0 0 334.424 0.588 10 0 ECAERN C[C@H](CNC(=O)C(=O)Nc1cnn([C@@H](C)C2CC2)c1)N1CCOCC1 ZINC000188414462 437546140 /nfs/dbraw/zinc/54/61/40/437546140.db2.gz YNNWJEQRWWMDBT-OLZOCXBDSA-N 0 0 349.435 0.630 10 0 ECAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000188468264 437551943 /nfs/dbraw/zinc/55/19/43/437551943.db2.gz KZHBYHWBYOBYMY-OAGGEKHMSA-N 0 0 337.395 0.526 10 0 ECAERN CCOc1cccc2[nH]cc(CC(=O)N3CCOC[C@@H]3C(N)=O)c21 ZINC000188685502 437562835 /nfs/dbraw/zinc/56/28/35/437562835.db2.gz XAHXDCSCAJBDEQ-CYBMUJFWSA-N 0 0 331.372 0.822 10 0 ECAERN C[C@@H](CNC(=O)C(=O)Nc1ccnn1[C@@H](C)C1CC1)N1CCOCC1 ZINC000191976276 437657518 /nfs/dbraw/zinc/65/75/18/437657518.db2.gz DWGAQGFYTLIDFD-STQMWFEESA-N 0 0 349.435 0.630 10 0 ECAERN CC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2ccnn2[C@@H](C)C2CC2)C1 ZINC000191989518 437658600 /nfs/dbraw/zinc/65/86/00/437658600.db2.gz CJFQLMSNGPPCOD-FZMZJTMJSA-N 0 0 347.419 0.920 10 0 ECAERN CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1ccnn1[C@@H](C)C1CC1 ZINC000192054522 437664775 /nfs/dbraw/zinc/66/47/75/437664775.db2.gz UTAYSBMKBLPETH-CMPLNLGQSA-N 0 0 333.392 0.530 10 0 ECAERN Cc1cc(N2CCC[C@@H](NC(=O)CCc3ccncn3)C2=O)n(C)n1 ZINC000192368984 437673743 /nfs/dbraw/zinc/67/37/43/437673743.db2.gz AONNUMYJXKFVIY-CQSZACIVSA-N 0 0 342.403 0.763 10 0 ECAERN CO[C@H]1C[C@H](C(=O)N2CC[C@H](C)C(C)(C)C2)N(S(C)(=O)=O)C1 ZINC000365542412 437930921 /nfs/dbraw/zinc/93/09/21/437930921.db2.gz XGSXMFQFMXDDQO-RWMBFGLXSA-N 0 0 332.466 0.930 10 0 ECAERN CCCCN1CCOC[C@@H]1C(=O)N1CC[C@H](C)S(=O)(=O)CC1 ZINC000365309888 437892798 /nfs/dbraw/zinc/89/27/98/437892798.db2.gz PQJDDHOKVRRDCP-UONOGXRCSA-N 0 0 332.466 0.523 10 0 ECAERN COC(=O)[C@H]1CCC[C@@H]1S(=O)(=O)NC1CCN(C(C)=O)CC1 ZINC000389422141 438428054 /nfs/dbraw/zinc/42/80/54/438428054.db2.gz PVNXTEGGAJOKSW-STQMWFEESA-N 0 0 332.422 0.258 10 0 ECAERN C[C@@H](O)CN1CCN(C(=O)c2cnn(-c3ccccc3)n2)C[C@@H]1C ZINC000174283512 533697338 /nfs/dbraw/zinc/69/73/38/533697338.db2.gz JUWIZQWRDJZROY-UONOGXRCSA-N 0 0 329.404 0.794 10 0 ECAERN CC(C)n1cc([C@@]2(O)CCN(c3cc(=O)n4ccccc4n3)C2)nn1 ZINC000583615082 439486131 /nfs/dbraw/zinc/48/61/31/439486131.db2.gz CHTBTMQMDSWYMX-QGZVFWFLSA-N 0 0 340.387 0.965 10 0 ECAERN CN1CCO[C@@H](CNC(=O)c2nccnc2N)[C@@H]1c1ccccc1 ZINC000583620916 439488023 /nfs/dbraw/zinc/48/80/23/439488023.db2.gz CTZLHIPZCVBBTR-ZFWWWQNUSA-N 0 0 327.388 0.861 10 0 ECAERN CC[C@H](C)[C@H]([NH3+])C(=O)N[C@H](C(=O)N[C@@H](C(=O)[O-])C(C)C)C(C)C ZINC000584602712 439603743 /nfs/dbraw/zinc/60/37/43/439603743.db2.gz YHFPHRUWZMEOIX-ZDEQEGDKSA-N 0 0 329.441 0.726 10 0 ECAERN Nc1ccn(C[C@@H]2CO[C@@H](COC(=O)c3ccccc3)O2)c(=O)n1 ZINC000584662065 439606152 /nfs/dbraw/zinc/60/61/52/439606152.db2.gz SPAOUVOEZFZVRJ-TZMCWYRMSA-N 0 0 331.328 0.667 10 0 ECAERN CO[C@@H]1C[C@@H](c2ncc[nH]2)N(S(=O)(=O)c2cn(C)c(C)n2)C1 ZINC000643718687 440280528 /nfs/dbraw/zinc/28/05/28/440280528.db2.gz DEDFBUBUZHLIIA-MNOVXSKESA-N 0 0 325.394 0.602 10 0 ECAERN CO[C@@H]1C[C@@H](c2ncc[nH]2)N(S(=O)(=O)c2cnn(C)c2C)C1 ZINC000643718001 440280666 /nfs/dbraw/zinc/28/06/66/440280666.db2.gz NOEFSCIYHSPFKK-MNOVXSKESA-N 0 0 325.394 0.602 10 0 ECAERN Cc1nnc2n1C[C@H](C(=O)N1CCc3cc[nH]c(=O)c3C1)N(C)C2 ZINC000644445693 440594543 /nfs/dbraw/zinc/59/45/43/440594543.db2.gz JEAUYGGYKFZBLR-CYBMUJFWSA-N 0 0 328.376 0.086 10 0 ECAERN CCOCCS(=O)(=O)N1CCN([C@@H](C)c2nc(C)no2)CC1 ZINC000171769876 320515236 /nfs/dbraw/zinc/51/52/36/320515236.db2.gz KGCPDMMSBVNENI-NSHDSACASA-N 0 0 332.426 0.423 10 0 ECAERN CC(=O)N1CCN(c2cccc(NC(=O)[C@@H]3CNC(=O)C3)c2)CC1 ZINC000189338896 320539030 /nfs/dbraw/zinc/53/90/30/320539030.db2.gz BGLFFSMJTFNKPP-ZDUSSCGKSA-N 0 0 330.388 0.430 10 0 ECAERN CS(=O)(=O)[N-]c1ccc(Cl)cc1C(=O)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262417716 320548611 /nfs/dbraw/zinc/54/86/11/320548611.db2.gz ZURIYCTXUUHHBT-UFBFGSQYSA-N 0 0 347.824 0.022 10 0 ECAERN CCN(C1CCN([C@@H]2CCN(C3CC3)C2=O)CC1)S(C)(=O)=O ZINC000328685378 320727103 /nfs/dbraw/zinc/72/71/03/320727103.db2.gz XJZSEKGKPGNDOH-CQSZACIVSA-N 0 0 329.466 0.496 10 0 ECAERN CN(C(=O)N1CCC[C@H](n2cccn2)C1)[C@H]1CCS(=O)(=O)C1 ZINC000328898986 320739892 /nfs/dbraw/zinc/73/98/92/320739892.db2.gz XCFVELTZWFVSBW-STQMWFEESA-N 0 0 326.422 0.759 10 0 ECAERN O=C(C[C@@H]1CCCCC(=O)N1)N1CCC[C@@](O)(Cn2ccnn2)C1 ZINC000328965859 320745489 /nfs/dbraw/zinc/74/54/89/320745489.db2.gz SJVGWSHMJAZODO-BBRMVZONSA-N 0 0 335.408 0.921 10 0 ECAERN C[C@@H]1CN(c2ccccn2)C[C@H]1C(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000329022569 320748582 /nfs/dbraw/zinc/74/85/82/320748582.db2.gz MQCAHYCBTRQOSA-UPJWGTAASA-N 0 0 343.387 0.757 10 0 ECAERN O=C(N1CCSCC1)N1CCC[C@@](O)(C(=O)N2CCCC2)C1 ZINC000329041093 320750080 /nfs/dbraw/zinc/75/00/80/320750080.db2.gz DLOXAEWDLHMOMW-HNNXBMFYSA-N 0 0 327.450 0.605 10 0 ECAERN CC1(CCS(=O)(=O)N2CCC[C@@](O)(C(=O)N3CCCC3)C2)CC1 ZINC000329403210 320770185 /nfs/dbraw/zinc/77/01/85/320770185.db2.gz CANWWCYMFRNWTM-INIZCTEOSA-N 0 0 344.477 0.956 10 0 ECAERN CN1CCN(C(=O)[C@H]2CCCN2C(=O)c2csc3cncn32)CC1 ZINC000329517163 320776312 /nfs/dbraw/zinc/77/63/12/320776312.db2.gz ZAFGGIMQDSNDRZ-GFCCVEGCSA-N 0 0 347.444 0.774 10 0 ECAERN Cn1c(=O)cc(C(=O)N2CCN3CCOC[C@@H]3C2)c2ccccc21 ZINC000329667752 320784043 /nfs/dbraw/zinc/78/40/43/320784043.db2.gz LNJOJAFTQBWZHL-ZDUSSCGKSA-N 0 0 327.384 0.695 10 0 ECAERN O=C(c1cccc(S(=O)(=O)NC2CC2)c1)N1CC(O)(C2CC2)C1 ZINC000330094526 320804335 /nfs/dbraw/zinc/80/43/35/320804335.db2.gz TUSTUXMIFNXNQN-UHFFFAOYSA-N 0 0 336.413 0.724 10 0 ECAERN O[C@]1(C(F)(F)F)CCCN(Cc2nnnn2CC2CCOCC2)C1 ZINC000333360640 320916703 /nfs/dbraw/zinc/91/67/03/320916703.db2.gz UGDZVICBZLRFRG-CYBMUJFWSA-N 0 0 349.357 0.989 10 0 ECAERN CN(C)C(=O)Nc1cccc(C(=O)N2C[C@H]3OCCN(C)[C@H]3C2)c1 ZINC000352044295 321346318 /nfs/dbraw/zinc/34/63/18/321346318.db2.gz HEJZCGPSSBSCJH-LSDHHAIUSA-N 0 0 332.404 0.935 10 0 ECAERN CC(C)(C)OC(=O)[C@@H]1CSCCN1C(=O)[C@H]1CCCC(=O)N1 ZINC000354259583 321459664 /nfs/dbraw/zinc/45/96/64/321459664.db2.gz GNAUXILUJHDPBU-MNOVXSKESA-N 0 0 328.434 0.941 10 0 ECAERN C[C@@H](CN(C)Cc1ccccc1)NS(=O)(=O)CCS(C)(=O)=O ZINC000180830414 533746374 /nfs/dbraw/zinc/74/63/74/533746374.db2.gz PWEYBZPBVVAAPJ-ZDUSSCGKSA-N 0 0 348.490 0.471 10 0 ECAERN C[C@@H](CNC(=O)c1cc(Br)nn1C)N1CCOCC1 ZINC000191924475 534032201 /nfs/dbraw/zinc/03/22/01/534032201.db2.gz XOIHIUAMACMPCH-VIFPVBQESA-N 0 0 331.214 0.633 10 0 ECAERN O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)N[C@H]1CCCC[C@@H]1CO ZINC000151142339 534497300 /nfs/dbraw/zinc/49/73/00/534497300.db2.gz IXLUHZYQVQWFJK-OCCSQVGLSA-N 0 0 345.399 0.747 10 0 ECAERN CC(C)(C)OC(=O)NCCN1CCN(c2ccc3nncn3n2)CC1 ZINC000130184536 526459931 /nfs/dbraw/zinc/45/99/31/526459931.db2.gz JNAPANUUYNMIFD-UHFFFAOYSA-N 0 0 347.423 0.771 10 0 ECAERN CC(=O)NC1CN(C(=O)C2=NN(c3ccccc3)[C@@H](C(C)=O)C2)C1 ZINC000191489014 526704987 /nfs/dbraw/zinc/70/49/87/526704987.db2.gz FVZLMSVWNIBGPH-MRXNPFEDSA-N 0 0 328.372 0.557 10 0 ECAERN CCN(C)C(=O)CNC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 ZINC000184492438 527720955 /nfs/dbraw/zinc/72/09/55/527720955.db2.gz HCADIZDBPXHJGS-XJKSGUPXSA-N 0 0 335.379 0.940 10 0 ECAERN CCO[C@@H]1C[C@@H](NC(=O)Cc2nc3ncccn3n2)C12CCOCC2 ZINC000187122837 527811889 /nfs/dbraw/zinc/81/18/89/527811889.db2.gz WWMMLKULPXGULH-CHWSQXEVSA-N 0 0 345.403 0.757 10 0 ECAERN CC(C)COC[C@@H](O)CN1CCN(c2ccc3nncn3n2)CC1 ZINC000171623737 528102445 /nfs/dbraw/zinc/10/24/45/528102445.db2.gz MAKRFTNDBNGYFN-AWEZNQCLSA-N 0 0 334.424 0.280 10 0 ECAERN CC(C)c1ccc(OCC(=O)NC[C@@H](O)CN2CCOCC2)cc1 ZINC000154152996 528119413 /nfs/dbraw/zinc/11/94/13/528119413.db2.gz UGYPXWKUJQQZNR-MRXNPFEDSA-N 0 0 336.432 0.998 10 0 ECAERN CCCc1cnc(NC(=O)C(=O)NC[C@H](C)N2CCOCC2)s1 ZINC000190308657 528651868 /nfs/dbraw/zinc/65/18/68/528651868.db2.gz PYIJUDWJQUEVFS-NSHDSACASA-N 0 0 340.449 0.871 10 0 ECAERN CC[C@@H]1CCCCN1c1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](C)O ZINC000170624241 529274870 /nfs/dbraw/zinc/27/48/70/529274870.db2.gz XKVBRMANTDYYOB-GHMZBOCLSA-N 0 0 335.408 0.573 10 0 ECAERN CNc1cc(C(=O)N2CCC[C@@]3(CCC(=O)N(CCO)C3)C2)ccn1 ZINC000082138294 545706238 /nfs/dbraw/zinc/70/62/38/545706238.db2.gz FSNOCRUXKPMXAV-SFHVURJKSA-N 0 0 346.431 0.960 10 0 ECAERN COCCN1CCN(CC(=O)NCc2cccc(OC)c2)C[C@H]1C ZINC000105832885 545739883 /nfs/dbraw/zinc/73/98/83/545739883.db2.gz SNERVZIALVIVAV-OAHLLOKOSA-N 0 0 335.448 0.964 10 0 ECAERN CO[C@@H]1CN(CC(=O)N(C)Cc2ccccc2)C[C@H]1c1c[nH]nn1 ZINC000621318013 546503705 /nfs/dbraw/zinc/50/37/05/546503705.db2.gz KHAMETYDMCYKSK-GOEBONIOSA-N 0 0 329.404 0.878 10 0 ECAERN CCc1cccc(S(=O)(=O)N2CC[C@@](O)(Cn3ccnn3)C2)c1 ZINC000671431077 548146869 /nfs/dbraw/zinc/14/68/69/548146869.db2.gz DERGJRVNXBDQIE-OAHLLOKOSA-N 0 0 336.417 0.666 10 0 ECAERN O=C(CN1CCc2ccccc21)N1CC[C@@](O)(Cn2ccnn2)C1 ZINC000671604892 548202280 /nfs/dbraw/zinc/20/22/80/548202280.db2.gz MCFZZNAOECTSTN-KRWDZBQOSA-N 0 0 327.388 0.304 10 0 ECAERN CCCSC[C@H]1O[C@@H](n2cnc3c2ncnc3N)[C@H](O)[C@@H]1O ZINC000013542767 560219371 /nfs/dbraw/zinc/21/93/71/560219371.db2.gz IVGJMPBYPXLAAV-QYVSTXNMSA-N 0 0 325.394 0.171 10 0 in-vitro,metabolite ECAERN O=C(Cn1ncc2ccccc21)N1CCC[C@](O)(c2cn[nH]n2)C1 ZINC000794064704 578571144 /nfs/dbraw/zinc/57/11/44/578571144.db2.gz HXCKNOGDBFDTKM-MRXNPFEDSA-N 0 0 326.360 0.665 10 0 ECAERN CCC1(CO)CCN(C(=O)[C@]2(N3CCN(C)CC3)CCOC2)CC1 ZINC000888076572 586245667 /nfs/dbraw/zinc/24/56/67/586245667.db2.gz TZUJSNXMKZWRDY-SFHVURJKSA-N 0 0 339.480 0.404 10 0 ECAERN COc1c(C)cccc1CNC(=O)c1cn([C@@H]2COC[C@H]2O)nn1 ZINC000888094074 586348582 /nfs/dbraw/zinc/34/85/82/586348582.db2.gz CWSJETYFFFCRLR-ZIAGYGMSSA-N 0 0 332.360 0.457 10 0 ECAERN CNC(=O)[C@H]1CC(=O)N(C2CN(C(=O)c3cc(F)cc(F)c3)C2)C1 ZINC000888098139 586349748 /nfs/dbraw/zinc/34/97/48/586349748.db2.gz FKTBQJCBYXFLRX-JTQLQIEISA-N 0 0 337.326 0.384 10 0 ECAERN Cc1ccnc(C(=O)N[C@@H]2CCCC[C@@H]2Cc2nn(C)c(=O)n2C)n1 ZINC000888098592 586349834 /nfs/dbraw/zinc/34/98/34/586349834.db2.gz ITHKJQZRADVNRX-CHWSQXEVSA-N 0 0 344.419 0.749 10 0 ECAERN CNC(=O)[C@@H]1CC(=O)N(C2CN(c3nc4cccc(F)c4o3)C2)C1 ZINC000888098721 586350137 /nfs/dbraw/zinc/35/01/37/586350137.db2.gz KNNJCAHZUSPANF-SECBINFHSA-N 0 0 332.335 0.750 10 0 ECAERN Cn1cc(O[C@@H]2COC[C@@H]2NC(=O)Cc2ccncc2Cl)cn1 ZINC000888100831 586350247 /nfs/dbraw/zinc/35/02/47/586350247.db2.gz ZWZVPONNLROKPL-UONOGXRCSA-N 0 0 336.779 0.974 10 0 ECAERN CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(S(=O)(=O)c2cn(C)cn2)C1 ZINC000888102923 586350800 /nfs/dbraw/zinc/35/08/00/586350800.db2.gz VISYHEPPUWARTC-NEPJUHHUSA-N 0 0 339.421 0.911 10 0 ECAERN Cc1noc([C@]2(O)CCN([C@H]3CCC4(C[C@@H]3F)OCCO4)C2)n1 ZINC000894488614 586396565 /nfs/dbraw/zinc/39/65/65/586396565.db2.gz DKMPOUYEQSUJGN-OBJOEFQTSA-N 0 0 327.356 0.905 10 0 ECAERN O=C(NC[C@H](O)CN1CCOCC1)c1c[nH]c(=O)cc1C(F)(F)F ZINC000900152068 586529017 /nfs/dbraw/zinc/52/90/17/586529017.db2.gz YFSXXESTUYZHRD-VIFPVBQESA-N 0 0 349.309 0.229 10 0 ECAERN Cn1cc(C(=O)N[C@H]2CCc3nc(C(C)(C)C)cn3C2)n(C)c1=O ZINC000900478383 586634886 /nfs/dbraw/zinc/63/48/86/586634886.db2.gz LEWOQOBOBKCYLD-NSHDSACASA-N 0 0 331.420 0.963 10 0 ECAERN Cn1cc([C@@H]2CCCN(C(=O)C3CN(S(C)(=O)=O)C3)C2)cn1 ZINC000907495072 586724006 /nfs/dbraw/zinc/72/40/06/586724006.db2.gz AOOTYHFDXWJBLB-LLVKDONJSA-N 0 0 326.422 0.018 10 0 ECAERN COc1ccccc1C1(CNC(=O)[C@H]2Cn3c(C)nnc3CN2)CC1 ZINC000818108138 587403504 /nfs/dbraw/zinc/40/35/04/587403504.db2.gz HUMNALGSJOZGCN-CQSZACIVSA-N 0 0 341.415 0.915 10 0 ECAERN CCn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2ccc3nncn3c2)cn1 ZINC000818601546 587440336 /nfs/dbraw/zinc/44/03/36/587440336.db2.gz FVWYTDIWRNSZGH-UONOGXRCSA-N 0 0 342.359 0.522 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)c2cccnc2-n2cccn2)CC1 ZINC000106394635 589209055 /nfs/dbraw/zinc/20/90/55/589209055.db2.gz AWTVGCGZABKUNM-AWEZNQCLSA-N 0 0 329.404 0.796 10 0 ECAERN CCc1noc([C@H](C)N2CCN(Cn3cnc(C(=O)OC)n3)CC2)n1 ZINC000112071139 589576541 /nfs/dbraw/zinc/57/65/41/589576541.db2.gz WNVNUJPCTDQJFV-NSHDSACASA-N 0 0 349.395 0.346 10 0 ECAERN CN(C)[C@@H]1CN(S(=O)(=O)c2ccccc2F)C[C@@H]1n1ccnn1 ZINC000859331396 589822619 /nfs/dbraw/zinc/82/26/19/589822619.db2.gz BDGYNSBIHICPNG-OLZOCXBDSA-N 0 0 339.396 0.593 10 0 ECAERN Cn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2ncc3ccccn32)cn1 ZINC000869431563 589965257 /nfs/dbraw/zinc/96/52/57/589965257.db2.gz WICQCEVRJQVMPD-UONOGXRCSA-N 0 0 327.344 0.644 10 0 ECAERN CCO[C@@H]1C[C@@H](OC(=O)Cn2ccc(=O)n(C)c2=O)C12CCCC2 ZINC000119587892 590030270 /nfs/dbraw/zinc/03/02/70/590030270.db2.gz FFBOZMKSWXUVJF-CHWSQXEVSA-N 0 0 336.388 0.828 10 0 ECAERN Cn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2ccc3[nH]cnc3c2)cn1 ZINC000863939844 590046830 /nfs/dbraw/zinc/04/68/30/590046830.db2.gz OKCBHIZIEWVCHL-LSDHHAIUSA-N 0 0 327.344 0.873 10 0 ECAERN O=C(C[C@@H]1CS(=O)(=O)CCN1)N1CCC[C@H](C(F)(F)F)C1 ZINC000126557261 590467787 /nfs/dbraw/zinc/46/77/87/590467787.db2.gz XEPVBBJDHVCUCL-VHSXEESVSA-N 0 0 328.356 0.564 10 0 ECAERN O=C(C[C@@H]1CS(=O)(=O)CCN1)NCCc1ccc(Cl)cc1 ZINC000126670623 590478586 /nfs/dbraw/zinc/47/85/86/590478586.db2.gz XNUQMYDMAFMUKX-CYBMUJFWSA-N 0 0 330.837 0.775 10 0 ECAERN CCc1nn(C)c(CC)c1CN1CCN([C@@]2(C(N)=O)CCOC2)CC1 ZINC000886026715 590786698 /nfs/dbraw/zinc/78/66/98/590786698.db2.gz PVXFCZJZQNMDNY-SFHVURJKSA-N 0 0 349.479 0.307 10 0 ECAERN Cc1noc(C)c1CC(=O)NC[C@@H]1OCCN(C)[C@H]1c1ccnn1C ZINC000886027051 590786812 /nfs/dbraw/zinc/78/68/12/590786812.db2.gz BAHCWVXBNIVCGI-RDJZCZTQSA-N 0 0 347.419 0.756 10 0 ECAERN COc1ccc(F)c(CN2CCN([C@]3(C(N)=O)CCOC3)CC2)c1 ZINC000886026717 590787334 /nfs/dbraw/zinc/78/73/34/590787334.db2.gz PWMDBZGSLMFYOA-QGZVFWFLSA-N 0 0 337.395 0.596 10 0 ECAERN Cc1nn(C)cc1[C@H]1OCC[C@@H]1NC(=O)Cn1c(C)cc(O)cc1=O ZINC000886044990 590789196 /nfs/dbraw/zinc/78/91/96/590789196.db2.gz UDJQSBJBIKYFON-WMLDXEAASA-N 0 0 346.387 0.551 10 0 ECAERN CCNC(=O)c1ccc(N2CCC[C@@](O)(Cc3nncn3C)C2)nc1 ZINC000886065446 590789958 /nfs/dbraw/zinc/78/99/58/590789958.db2.gz DSNJQTZENTWNNX-QGZVFWFLSA-N 0 0 344.419 0.534 10 0 ECAERN CO[C@@H]1CN(Cc2nnnn2-c2ccccc2)C[C@H]1c1cn(C)nn1 ZINC000886074554 590790680 /nfs/dbraw/zinc/79/06/80/590790680.db2.gz NRULMIIRRJTNAG-DZGCQCFKSA-N 0 0 340.391 0.405 10 0 ECAERN COc1ccccc1CC(=O)N1CCN([C@@]2(C(N)=O)CCOC2)CC1 ZINC000886077918 590791715 /nfs/dbraw/zinc/79/17/15/590791715.db2.gz QXNCZORXFGENMJ-SFHVURJKSA-N 0 0 347.415 0.026 10 0 ECAERN Cn1cnnc1C[C@]1(O)CCCN(C(=O)c2n[nH]c3ccccc32)C1 ZINC000886084891 590792730 /nfs/dbraw/zinc/79/27/30/590792730.db2.gz NNKVCLWPVQPPBD-QGZVFWFLSA-N 0 0 340.387 0.901 10 0 ECAERN CCCCN1CCOC[C@@H]1C(=O)OCCn1cc([N+](=O)[O-])cn1 ZINC000194198186 608607530 /nfs/dbraw/zinc/60/75/30/608607530.db2.gz PCBALHRXKBDYBI-CYBMUJFWSA-N 0 0 326.353 0.835 10 0 ECAERN O=C(OC[C@@H]1CC(=O)N(CCc2ccccc2)C1)[C@H]1CNC(=O)C1 ZINC000176173396 608784111 /nfs/dbraw/zinc/78/41/11/608784111.db2.gz CQMJVOUNMYXQJM-HUUCEWRRSA-N 0 0 330.384 0.757 10 0 ECAERN CC(C)N(C)S(=O)(=O)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000178696894 608852608 /nfs/dbraw/zinc/85/26/08/608852608.db2.gz DKQXEECAGMLDKL-INIZCTEOSA-N 0 0 341.477 0.923 10 0 ECAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)N(C)CCS(C)(=O)=O)CC2 ZINC000161571906 608865455 /nfs/dbraw/zinc/86/54/55/608865455.db2.gz GJIRJRJHDFTXLY-NSHDSACASA-N 0 0 343.453 0.402 10 0 ECAERN Cc1ccc(C(=O)NCCc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)s1 ZINC000222479748 609080414 /nfs/dbraw/zinc/08/04/14/609080414.db2.gz BKOORRSHPUAWOG-UHFFFAOYSA-N 0 0 347.400 0.303 10 0 ECAERN O=C(NCCCO)[C@@H]1CN(C(=O)c2ccco2)Cc2cccnc21 ZINC000222675909 609105139 /nfs/dbraw/zinc/10/51/39/609105139.db2.gz ZKYBBHDRIFALJW-CYBMUJFWSA-N 0 0 329.356 0.913 10 0 ECAERN CC(C)[C@@H]1OCCC[C@@H]1C(=O)NCC12COCCN1CCOC2 ZINC000913298532 609660337 /nfs/dbraw/zinc/66/03/37/609660337.db2.gz QVIZPSLNKOSHRG-GJZGRUSLSA-N 0 0 326.437 0.655 10 0 ECAERN O=C(N[C@@H]1C[C@H](O)[C@H]1n1cccn1)[C@H]1CCCN(C(=O)C2CC2)C1 ZINC000909159310 609679413 /nfs/dbraw/zinc/67/94/13/609679413.db2.gz LMARSUSGIVHYLL-XGUBFFRZSA-N 0 0 332.404 0.322 10 0 ECAERN O=C(Cc1cccc(F)c1)NCC(=O)N[C@@H]1C[C@@H](O)[C@H]1n1cccn1 ZINC000909161580 609682508 /nfs/dbraw/zinc/68/25/08/609682508.db2.gz NGNKJDYZEKYNBO-CPUCHLNUSA-N 0 0 346.362 0.172 10 0 ECAERN Cc1noc(-c2cnc(C)n(CCC(=O)NC[C@@H]3CCCO3)c2=O)n1 ZINC000222853022 609705271 /nfs/dbraw/zinc/70/52/71/609705271.db2.gz BSOZVMWGIQRMAT-LBPRGKRZSA-N 0 0 347.375 0.595 10 0 ECAERN Cc1c(CC(=O)N2CCN(C(=O)c3ccco3)CC2)ncn(C)c1=O ZINC000222943961 609706359 /nfs/dbraw/zinc/70/63/59/609706359.db2.gz CIUOZOKPNDXUEE-UHFFFAOYSA-N 0 0 344.371 0.209 10 0 ECAERN Cc1ccc([C@H]2[C@@H](C(=O)NCCC(=O)N(C)C)OCC(=O)N2C)cc1 ZINC000223293854 609709276 /nfs/dbraw/zinc/70/92/76/609709276.db2.gz SHHPZYOUEDAVDH-IRXDYDNUSA-N 0 0 347.415 0.488 10 0 ECAERN CC(C)[C@H]1Nc2ncnc(N[C@@H]3CCS(=O)(=O)C3)c2NC1=O ZINC000223987720 609716228 /nfs/dbraw/zinc/71/62/28/609716228.db2.gz WTZHHLRDQUPYEC-RKDXNWHRSA-N 0 0 325.394 0.464 10 0 ECAERN COCCn1ncc(N2CCC[C@H](CC(=O)NC3CC3)C2)cc1=O ZINC000169748926 609744921 /nfs/dbraw/zinc/74/49/21/609744921.db2.gz ISFNLBHSRIJCPU-CYBMUJFWSA-N 0 0 334.420 0.775 10 0 ECAERN CCCC(=O)N[C@@H]1CCCN(C(=O)CSc2nncn2C)C1 ZINC000171039211 609756089 /nfs/dbraw/zinc/75/60/89/609756089.db2.gz YFTIDEHSGREQQN-LLVKDONJSA-N 0 0 325.438 0.815 10 0 ECAERN C/C=C(/C)C[N@@H+]1C[C@H](NC(=O)Cc2cc(=O)[n-][nH]c2=O)[C@@H](C2CC2)C1 ZINC000229998114 609764046 /nfs/dbraw/zinc/76/40/46/609764046.db2.gz UJESDHLTCHVWLH-WJOBXRDNSA-N 0 0 346.431 0.399 10 0 ECAERN COC[C@@]1(C(N)=O)CCCN1C(=O)CN1CSCCSC1 ZINC000911354509 609854745 /nfs/dbraw/zinc/85/47/45/609854745.db2.gz XXORBEFHZHSTGW-CYBMUJFWSA-N 0 0 333.479 0.176 10 0 ECAERN Cc1nn(C)c(C)c1CN1CCN(CN2C(=O)CC(C)(C)C2=O)CC1 ZINC000152667844 609872257 /nfs/dbraw/zinc/87/22/57/609872257.db2.gz MGHZCVJEDCZIFV-UHFFFAOYSA-N 0 0 347.463 0.897 10 0 ECAERN CCc1ccc(N2C[C@@H](C(=O)N3CCOC[C@@H]3CO)CC2=O)cc1 ZINC000912427040 609958213 /nfs/dbraw/zinc/95/82/13/609958213.db2.gz GQUMTXDFHRRNAX-HOCLYGCPSA-N 0 0 332.400 0.822 10 0 ECAERN Cc1cnn(C[C@H]2CN(CCCNC(=O)C(F)(F)F)CCO2)c1 ZINC000154816516 610019339 /nfs/dbraw/zinc/01/93/39/610019339.db2.gz XILKYBPXGQTSHD-GFCCVEGCSA-N 0 0 334.342 0.961 10 0 ECAERN C[C@@H]1CN(CN2CC[C@@](C)(c3ccccc3)C2=O)C[C@@H](C(N)=O)O1 ZINC000188703439 611756845 /nfs/dbraw/zinc/75/68/45/611756845.db2.gz UTFJSEWLKMMYDB-XUWXXGDYSA-N 0 0 331.416 0.709 10 0 ECAERN O=S(=O)(N[C@H]1COc2ccccc21)C1CCS(=O)(=O)CC1 ZINC000328648243 740254236 /nfs/dbraw/zinc/25/42/36/740254236.db2.gz AGOPDAGLQSVXIK-LBPRGKRZSA-N 0 0 331.415 0.617 10 0 ECAERN C[C@@H](O)CN1CCN(C(=O)c2ccccc2Cn2cncn2)C[C@@H]1C ZINC000173956726 231080866 /nfs/dbraw/zinc/08/08/66/231080866.db2.gz QCPOLCQWNJTFCY-LSDHHAIUSA-N 0 0 343.431 0.854 10 0 ECAERN CN(CC(=O)N1CCC[C@H]1C[C@H](O)c1ccccc1)S(C)(=O)=O ZINC000174881880 529827894 /nfs/dbraw/zinc/82/78/94/529827894.db2.gz FBWUCSWQMVPQLP-GJZGRUSLSA-N 0 0 340.445 0.993 10 0 ECAERN CNC(=O)C(C)(C)CNC(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000181666313 529838757 /nfs/dbraw/zinc/83/87/57/529838757.db2.gz YZVHXQRKJCIPFU-LLVKDONJSA-N 0 0 336.440 0.788 10 0 ECAERN CN1C(=O)c2ccc(C(=O)Nc3ncccc3O)cc2S1(=O)=O ZINC000048398252 213937378 /nfs/dbraw/zinc/93/73/78/213937378.db2.gz IRLABZDXLJVDMG-UHFFFAOYSA-N 0 0 333.325 0.814 10 0 ECAERN COc1cc(F)ccc1NC(=O)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000177633139 231943466 /nfs/dbraw/zinc/94/34/66/231943466.db2.gz SWRLQDXOJLTPBL-JTQLQIEISA-N 0 0 333.323 0.496 10 0 ECAERN CNS(=O)(=O)CCNC(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000187296651 290754402 /nfs/dbraw/zinc/75/44/02/290754402.db2.gz GKMYZIWMOJWRCK-RKDXNWHRSA-N 0 0 331.360 0.956 10 0 ECAERN C[N@@H+]1CCN(C(=O)CN2CCOc3ccccc3C2)C[C@@H]1C(=O)[O-] ZINC000067742364 215201180 /nfs/dbraw/zinc/20/11/80/215201180.db2.gz DJCIZBCSBPRZNQ-CQSZACIVSA-N 0 0 333.388 0.108 10 0 ECAERN O=S1(=O)CCN(C[C@H](O)COCc2ccc(Cl)cc2)CC1 ZINC000103266388 219278954 /nfs/dbraw/zinc/27/89/54/219278954.db2.gz BVRFGDXRXJGOIC-AWEZNQCLSA-N 0 0 333.837 0.948 10 0 ECAERN Cn1ccnc1CN1CC[C@@H](CNS(=O)(=O)c2cccnc2)C1 ZINC000067910152 215248299 /nfs/dbraw/zinc/24/82/99/215248299.db2.gz MPTHCZOEIBKXBO-ZDUSSCGKSA-N 0 0 335.433 0.616 10 0 ECAERN Cc1cnn([C@H]2CCCN(C(=O)NCCNC(=O)c3ccn[nH]3)C2)c1 ZINC000181859466 234354600 /nfs/dbraw/zinc/35/46/00/234354600.db2.gz WTZUYGOAKHIDOY-ZDUSSCGKSA-N 0 0 345.407 0.691 10 0 ECAERN CCC(=O)NCc1nc2ccccc2n1CC(=O)N1CCOCC1 ZINC000040274609 213286516 /nfs/dbraw/zinc/28/65/16/213286516.db2.gz LZRXWHUPIGNGLI-UHFFFAOYSA-N 0 0 330.388 0.921 10 0 ECAERN CN(C(=O)Nc1nccn(C)c1=O)[C@H]1CCCN(c2cccnn2)C1 ZINC000183852706 235244113 /nfs/dbraw/zinc/24/41/13/235244113.db2.gz UEIKRPXXXQLHLA-LBPRGKRZSA-N 0 0 343.391 0.703 10 0 ECAERN O=C(NCC(F)(F)CO)N[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000184165347 235321176 /nfs/dbraw/zinc/32/11/76/235321176.db2.gz GYXWCMYQCLELDV-JTQLQIEISA-N 0 0 334.344 0.832 10 0 ECAERN O=S1(=O)C[C@H](NCc2ccc(Br)s2)[C@H](O)C1 ZINC000038018700 213192013 /nfs/dbraw/zinc/19/20/13/213192013.db2.gz GPLZPXSNXQQDBK-JGVFFNPUSA-N 0 0 326.237 0.758 10 0 ECAERN CNC(=O)CN1CCC(NC(=O)N2CCCC[C@@H]2c2cn[nH]c2)CC1 ZINC000182355123 283315225 /nfs/dbraw/zinc/31/52/25/283315225.db2.gz GKPWXCYCZCTUGQ-OAHLLOKOSA-N 0 0 348.451 0.857 10 0 ECAERN CCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1Br ZINC000071790778 215826596 /nfs/dbraw/zinc/82/65/96/215826596.db2.gz IIOMVMRSXBAUPJ-UHFFFAOYSA-N 0 0 328.209 0.890 10 0 ECAERN CNC(=O)c1ccc([C@@H]2CN(C(=O)c3cnn(C)c3)CCO2)nc1 ZINC000072388071 216188329 /nfs/dbraw/zinc/18/83/29/216188329.db2.gz IOXLAPWPAGCQSZ-AWEZNQCLSA-N 0 0 329.360 0.388 10 0 ECAERN COC(=O)Cc1nn(-c2nc(C)cc(C)n2)c2c1nnc1ccnn12 ZINC000072461554 216244489 /nfs/dbraw/zinc/24/44/89/216244489.db2.gz FFVBDWGDLJBWDN-UHFFFAOYSA-N 0 0 338.331 0.586 10 0 ECAERN CCc1nc2nnc3c(ccn(NC(=O)c4ccncc4)c3=O)n2n1 ZINC000072466731 216247802 /nfs/dbraw/zinc/24/78/02/216247802.db2.gz OTFWZJLADHTWQW-UHFFFAOYSA-N 0 0 336.315 0.176 10 0 ECAERN COCc1cc(Sc2nnc(C(F)(F)F)n2N)n2ncnc2n1 ZINC000130591564 223163868 /nfs/dbraw/zinc/16/38/68/223163868.db2.gz NSZJOPRTRARQQL-UHFFFAOYSA-N 0 0 346.298 0.746 10 0 ECAERN C[C@H](CNC(=O)c1cc(Br)nn1C)N1CCOCC1 ZINC000191924484 239382228 /nfs/dbraw/zinc/38/22/28/239382228.db2.gz XOIHIUAMACMPCH-SECBINFHSA-N 0 0 331.214 0.633 10 0 ECAERN O=C([O-])[C@@H]1CCC[N@@H+]1C1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000038042565 304113938 /nfs/dbraw/zinc/11/39/38/304113938.db2.gz SNLQCCGLFGCPNR-VIFPVBQESA-N 0 0 330.328 0.849 10 0 ECAERN CCN(C(=O)c1cccc2c1OCC(=O)N2)[C@@H]1CCS(=O)(=O)C1 ZINC000074733139 216512841 /nfs/dbraw/zinc/51/28/41/216512841.db2.gz PGXJDNMMKWEHSF-SNVBAGLBSA-N 0 0 338.385 0.667 10 0 ECAERN CCCCOC[C@H](O)Cn1nc(C(=O)NC)c2ccccc2c1=O ZINC000193369038 240135658 /nfs/dbraw/zinc/13/56/58/240135658.db2.gz YBMRUODFUHUSBY-GFCCVEGCSA-N 0 0 333.388 0.934 10 0 ECAERN Cc1noc(Cl)c1CCC(=O)NC[C@H](O)CN1CCOCC1 ZINC000132886111 223370814 /nfs/dbraw/zinc/37/08/14/223370814.db2.gz QMWYRNDHSDLYMF-NSHDSACASA-N 0 0 331.800 0.378 10 0 ECAERN COC(=O)[C@@H](O)C(C)(C)NS(=O)(=O)c1c[nH]c2cccc(F)c21 ZINC000239636953 242958088 /nfs/dbraw/zinc/95/80/88/242958088.db2.gz BHTPXMTZCOCYQQ-GFCCVEGCSA-N 0 0 344.364 0.898 10 0 ECAERN C[C@H](O)CN1CCN(S(=O)(=O)c2ncn(C)c2Cl)C[C@H]1C ZINC000246093597 243195315 /nfs/dbraw/zinc/19/53/15/243195315.db2.gz KPZZQDUPRNGJDT-ZJUUUORDSA-N 0 0 336.845 0.149 10 0 ECAERN COC(=O)CNC(=O)[C@H]1CC(=O)N(c2ccc(NC(C)=O)cc2)C1 ZINC000020370746 212123949 /nfs/dbraw/zinc/12/39/49/212123949.db2.gz AISZXRBGGOADGO-NSHDSACASA-N 0 0 333.344 0.287 10 0 ECAERN C[C@@H](CNC(=O)C(=O)Nc1ccc(Cl)nc1)N1CCOCC1 ZINC000077697214 216957169 /nfs/dbraw/zinc/95/71/69/216957169.db2.gz ZLVMHFMBUQIGPP-JTQLQIEISA-N 0 0 326.784 0.510 10 0 ECAERN Cn1c(CN2CCO[C@H](C[N@H+](C)CC(=O)[O-])C2)nc2ccccc21 ZINC000262821843 245197004 /nfs/dbraw/zinc/19/70/04/245197004.db2.gz GVZWYBAWOKNIBD-CYBMUJFWSA-N 0 0 332.404 0.791 10 0 ECAERN C[N@@H+](CC(=O)[O-])C[C@H]1CN(C(=O)Cc2c(F)cccc2F)CCO1 ZINC000262908344 245244813 /nfs/dbraw/zinc/24/48/13/245244813.db2.gz JGOTUBZBJNBKEC-NSHDSACASA-N 0 0 342.342 0.751 10 0 ECAERN COC(=O)[C@H](C)NS(=O)(=O)c1cc(Br)ccc1N ZINC000049352003 214002175 /nfs/dbraw/zinc/00/21/75/214002175.db2.gz ANRYKWJBEMZRQI-LURJTMIESA-N 0 0 337.195 0.871 10 0 ECAERN CS(=O)(=O)c1ccc(C(=O)N2CCO[C@H](Cn3cccn3)C2)cc1 ZINC000111083926 220098077 /nfs/dbraw/zinc/09/80/77/220098077.db2.gz ONSROYQUMGTBDU-AWEZNQCLSA-N 0 0 349.412 0.828 10 0 ECAERN C[C@@H](NC(=O)c1ccco1)C(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111078682 220096711 /nfs/dbraw/zinc/09/67/11/220096711.db2.gz MTSCQRGHPCFLRP-CHWSQXEVSA-N 0 0 332.360 0.522 10 0 ECAERN CCOCCN1CCN(C(=O)NC[C@@H](C)N2CCOCC2)CC1 ZINC000111816440 220196508 /nfs/dbraw/zinc/19/65/08/220196508.db2.gz UVEZZBVJTCWVBZ-OAHLLOKOSA-N 0 0 328.457 0.071 10 0 ECAERN O=c1[nH]n(CCn2cc([C@@H]3CCOC3)nn2)c(=O)c2ccccc12 ZINC000091493795 218014180 /nfs/dbraw/zinc/01/41/80/218014180.db2.gz LKJAXXHLKNIDRG-LLVKDONJSA-N 0 0 327.344 0.898 10 0 ECAERN CC1CCN(c2ccc(C(=O)N3CCOC[C@@H]3C(N)=O)cn2)CC1 ZINC000091810817 218070099 /nfs/dbraw/zinc/07/00/99/218070099.db2.gz GHGJGYFYUWONDI-CQSZACIVSA-N 0 0 332.404 0.644 10 0 ECAERN CNc1cc(C)[nH+]c(N2CCC3(CC2)[C@@H](C(=O)[O-])CC(=O)N3C)n1 ZINC000095384361 218316860 /nfs/dbraw/zinc/31/68/60/218316860.db2.gz OCRQYCAPLZALSV-LLVKDONJSA-N 0 0 333.392 0.729 10 0 ECAERN CS(=O)(=O)N1CC[C@H]2C[C@H](C(=O)NCc3ccccn3)O[C@H]2C1 ZINC000096092347 218588130 /nfs/dbraw/zinc/58/81/30/218588130.db2.gz QWPXNANJLDTBPJ-YUTCNCBUSA-N 0 0 339.417 0.137 10 0 ECAERN CS(=O)(=O)c1ccccc1C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000172744434 207655565 /nfs/dbraw/zinc/65/55/65/207655565.db2.gz JWVJLQMQZTXKSQ-CYBMUJFWSA-N 0 0 338.429 0.637 10 0 ECAERN COc1ccc(S(=O)(=O)N2CC(NC(=O)C3CC3)C2)cc1F ZINC000187916457 533042120 /nfs/dbraw/zinc/04/21/20/533042120.db2.gz QZCYHYOGOXWIQK-UHFFFAOYSA-N 0 0 328.365 0.733 10 0 ECAERN O=C(CNC(=O)Cc1cccc(F)c1)N[C@H]1CCc2ncnn2C1 ZINC000112654964 220365416 /nfs/dbraw/zinc/36/54/16/220365416.db2.gz XZRZTMNAOMFIPC-ZDUSSCGKSA-N 0 0 331.351 0.207 10 0 ECAERN CCOc1ccc(C(=O)NCC(=O)N[C@@H]2CCc3ncnn3C2)cc1 ZINC000112725442 220386990 /nfs/dbraw/zinc/38/69/90/220386990.db2.gz MWKRCJNGCPUNOO-CYBMUJFWSA-N 0 0 343.387 0.538 10 0 ECAERN O=C(CCNC(=O)N[C@H]1CCc2ncnn2C1)N1CCCCCC1 ZINC000112747142 220395762 /nfs/dbraw/zinc/39/57/62/220395762.db2.gz QVWFWGYZSNYISB-ZDUSSCGKSA-N 0 0 334.424 0.685 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1ccc(S(C)(=O)=O)cc1)CC2 ZINC000114868989 220770680 /nfs/dbraw/zinc/77/06/80/220770680.db2.gz OAAUCIJLDJTWCZ-LBPRGKRZSA-N 0 0 348.428 0.989 10 0 ECAERN CCOCCN1CCN(C(=O)[C@@H](C)NC(=O)c2ccoc2)C[C@H]1C ZINC000117274648 221041409 /nfs/dbraw/zinc/04/14/09/221041409.db2.gz CHHQUXABHQFJOY-ZIAGYGMSSA-N 0 0 337.420 0.967 10 0 ECAERN COCCN1CCN(C(=O)c2ccccc2-n2cnnn2)C[C@@H]1C ZINC000117286108 221043907 /nfs/dbraw/zinc/04/39/07/221043907.db2.gz QNNBPHKZIASOQI-ZDUSSCGKSA-N 0 0 330.392 0.455 10 0 ECAERN COCCN1CCN(C(=O)NCCCN2CCOCC2)C[C@@H]1C ZINC000117468664 221067264 /nfs/dbraw/zinc/06/72/64/221067264.db2.gz KNKSRRJHUSKQJR-HNNXBMFYSA-N 0 0 328.457 0.071 10 0 ECAERN Cc1cnn(CCNC(=O)NCc2ccc(S(N)(=O)=O)cc2)c1 ZINC000118052713 221109877 /nfs/dbraw/zinc/10/98/77/221109877.db2.gz AXNFDEULIHCSKW-UHFFFAOYSA-N 0 0 337.405 0.338 10 0 ECAERN CN1CCO[C@H](CNC(=O)C(=O)Nc2cccc(-n3ccnc3)c2)C1 ZINC000118115747 221120868 /nfs/dbraw/zinc/12/08/68/221120868.db2.gz ZBJHOVYUISNDSQ-OAHLLOKOSA-N 0 0 343.387 0.258 10 0 ECAERN CN1CCO[C@H](CNC(=O)C(=O)Nc2ccccc2-n2cccn2)C1 ZINC000118115743 221121886 /nfs/dbraw/zinc/12/18/86/221121886.db2.gz HTIWGHXAUVAEFD-CYBMUJFWSA-N 0 0 343.387 0.258 10 0 ECAERN CC1=N[C@]2(CC[C@H]3CN(S(=O)(=O)CC(C)C)C[C@H]32)C(=O)N1C ZINC000248048831 257667944 /nfs/dbraw/zinc/66/79/44/257667944.db2.gz QJSVSLHNOAJFBW-GUTXKFCHSA-N 0 0 327.450 0.943 10 0 ECAERN Cc1nnc(CN2CCN(c3ncnc4c3cnn4C)CC2)n1C ZINC000052433381 296602289 /nfs/dbraw/zinc/60/22/89/296602289.db2.gz OSQCQHQMVIYIMS-UHFFFAOYSA-N 0 0 327.396 0.122 10 0 ECAERN C[C@]1(C2CC2)NC(=O)N(CC(=O)N2CCC(c3cc[nH]n3)CC2)C1=O ZINC000125815578 164667162 /nfs/dbraw/zinc/66/71/62/164667162.db2.gz IPMGUEATMNICGJ-QGZVFWFLSA-N 0 0 345.403 0.836 10 0 ECAERN COC[C@@H](O)CCNC(=O)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000133758867 164706162 /nfs/dbraw/zinc/70/61/62/164706162.db2.gz XKGGSJOLVWADJZ-RYUDHWBXSA-N 0 0 325.413 0.413 10 0 ECAERN Cc1ccnc2nc(C(=O)N[C@@H]3CCc4nc(C(C)C)nn4C3)nn21 ZINC000133711252 164707076 /nfs/dbraw/zinc/70/70/76/164707076.db2.gz GLFRQWDNQGSLQI-LLVKDONJSA-N 0 0 340.391 0.892 10 0 ECAERN O=C(Cn1cnnn1)N1CCN(C(=O)[C@@H]2C[C@@H]2C2CCCCC2)CC1 ZINC000163261770 164814005 /nfs/dbraw/zinc/81/40/05/164814005.db2.gz DBWKXRUTFIUFEN-HUUCEWRRSA-N 0 0 346.435 0.560 10 0 ECAERN CC(C)c1nnc2n1C[C@H](Nc1ncccc1S(N)(=O)=O)CC2 ZINC000171880111 164837094 /nfs/dbraw/zinc/83/70/94/164837094.db2.gz UNLUYHYBONPLNC-SNVBAGLBSA-N 0 0 336.421 0.871 10 0 ECAERN O=C([C@H]1CC(=O)N(c2cn[nH]c2)C1)N1CCC[C@H](Cn2cncn2)C1 ZINC000178261783 164914256 /nfs/dbraw/zinc/91/42/56/164914256.db2.gz JPQKIVULVYMXNY-STQMWFEESA-N 0 0 343.391 0.293 10 0 ECAERN Cc1cc(N2CCC[C@@H](NC(=O)NCC3(CO)CCC3)C2=O)n(C)n1 ZINC000181873136 164948126 /nfs/dbraw/zinc/94/81/26/164948126.db2.gz BQXCEASQMBZFFP-CYBMUJFWSA-N 0 0 349.435 0.686 10 0 ECAERN CCCCNC(=O)C1CCN(C(=O)NCC(=O)NCC2CC2)CC1 ZINC000183779138 164957290 /nfs/dbraw/zinc/95/72/90/164957290.db2.gz ASBGBQPROYGBCF-UHFFFAOYSA-N 0 0 338.452 0.851 10 0 ECAERN CN(CC(=O)N1CC(NC(=O)C2CCC2)C1)C(=O)c1cccs1 ZINC000188563635 164999463 /nfs/dbraw/zinc/99/94/63/164999463.db2.gz ATLSKKJUQZPQLH-UHFFFAOYSA-N 0 0 335.429 0.947 10 0 ECAERN C[C@H](NC(=O)N1CC(NC(=O)C2CCC2)C1)[C@H](C)N1CCOCC1 ZINC000188842467 165003382 /nfs/dbraw/zinc/00/33/82/165003382.db2.gz WCBPPMLAVLNKDK-STQMWFEESA-N 0 0 338.452 0.406 10 0 ECAERN C[C@H]1C(=O)NCCCN1C(=O)CCc1nc(-c2ccccn2)no1 ZINC000188857066 165003443 /nfs/dbraw/zinc/00/34/43/165003443.db2.gz LBLLZSKMYIXCSI-NSHDSACASA-N 0 0 329.360 0.801 10 0 ECAERN C[C@H]1C(=O)NCCCN1C(=O)Cn1cc(Br)ccc1=O ZINC000188938419 165003848 /nfs/dbraw/zinc/00/38/48/165003848.db2.gz JVINVNAVHCUQKB-VIFPVBQESA-N 0 0 342.193 0.348 10 0 ECAERN CCc1ccccc1NC(=O)CNC(=O)CN1CCCNC(=O)[C@H]1C ZINC000189282047 165008819 /nfs/dbraw/zinc/00/88/19/165008819.db2.gz BNXXXGMKZQFFNK-CYBMUJFWSA-N 0 0 346.431 0.514 10 0 ECAERN COc1ccc2c(c1)C[C@H](C(=O)N1CC(NC(=O)C3CC3)C1)CO2 ZINC000189500503 165011944 /nfs/dbraw/zinc/01/19/44/165011944.db2.gz IOFHDTLRXJJNTF-ZDUSSCGKSA-N 0 0 330.384 0.983 10 0 ECAERN CCN1CN(C(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(F)cc2)CC1=O ZINC000190588876 165021882 /nfs/dbraw/zinc/02/18/82/165021882.db2.gz YTVLFTDVGMUTHB-CZUORRHYSA-N 0 0 333.363 0.993 10 0 ECAERN C[C@H]1C(=O)NCCCN1C(=O)NCc1ccnc(-n2cccn2)c1 ZINC000191192281 165030442 /nfs/dbraw/zinc/03/04/42/165030442.db2.gz GQINQHXJBRDXFK-LBPRGKRZSA-N 0 0 328.376 0.687 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)C(=O)Nc1ccc(Cl)cn1)CC2 ZINC000193472957 165054746 /nfs/dbraw/zinc/05/47/46/165054746.db2.gz XISZSYKFVRUQDP-SNVBAGLBSA-N 0 0 348.794 0.959 10 0 ECAERN C[C@H](C(=O)N(C)CC(=O)NC1CC1)N1CCC(c2cc[nH]n2)CC1 ZINC000195507710 165083874 /nfs/dbraw/zinc/08/38/74/165083874.db2.gz XZQBXEPJRPMMBH-GFCCVEGCSA-N 0 0 333.436 0.715 10 0 ECAERN CNc1cc(N2CCC[C@@H]2CNC(=O)N[C@H](C)[C@H](C)CO)ncn1 ZINC000246320225 165130329 /nfs/dbraw/zinc/13/03/29/165130329.db2.gz NZLCDDWYBNOJGT-JHJVBQTASA-N 0 0 336.440 0.803 10 0 ECAERN CN([C@H]1CCCN(c2cccnn2)C1)S(=O)(=O)C[C@H]1CCOC1 ZINC000246599241 165140738 /nfs/dbraw/zinc/14/07/38/165140738.db2.gz CXSNUICKPGOIDU-KBPBESRZSA-N 0 0 340.449 0.744 10 0 ECAERN COCCN1CCN(C(=O)NC[C@H](C)CN2CCOCC2)C[C@H]1C ZINC000247259174 165159183 /nfs/dbraw/zinc/15/91/83/165159183.db2.gz AWNGFXVFCCNXFT-JKSUJKDBSA-N 0 0 342.484 0.317 10 0 ECAERN C[C@H]1CN(Cc2nnnn2CC(F)(F)F)C[C@H]1N1CCOCC1 ZINC000248869303 165188230 /nfs/dbraw/zinc/18/82/30/165188230.db2.gz ZMEIKMICNWEKLF-WDEREUQCSA-N 0 0 334.346 0.388 10 0 ECAERN NCc1nc(CN2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)no1 ZINC000261819425 165247201 /nfs/dbraw/zinc/24/72/01/165247201.db2.gz SDIYDXGXNQUZEM-UHFFFAOYSA-N 0 0 345.359 0.215 10 0 ECAERN Cc1nc2c(c(N3CCO[C@H](C[N@@H+](C)CC(=O)[O-])C3)n1)CCCC2 ZINC000262103945 165290465 /nfs/dbraw/zinc/29/04/65/165290465.db2.gz JFKOGIAUNPCEDC-CYBMUJFWSA-N 0 0 334.420 0.885 10 0 ECAERN CCCC[C@@H](NC(N)=O)C(=O)NC1CC([N@H+](CC)CC(=O)[O-])C1 ZINC000262780449 165386461 /nfs/dbraw/zinc/38/64/61/165386461.db2.gz IYVKFBLZGIYPLN-HTAVTVPLSA-N 0 0 328.413 0.267 10 0 ECAERN OC[C@@H]1CCCN(c2cc(NC[C@H]3CN4CCN3CC4)ncn2)C1 ZINC000301770168 296891081 /nfs/dbraw/zinc/89/10/81/296891081.db2.gz JJBNGFLQAIWJRX-CABCVRRESA-N 0 0 332.452 0.097 10 0 ECAERN Cc1sc(=O)n(CCC(=O)N2C[C@@H](C)O[C@@H](C(N)=O)C2)c1C ZINC000157452936 224828874 /nfs/dbraw/zinc/82/88/74/224828874.db2.gz YOKCNXWEPADFLW-LDYMZIIASA-N 0 0 327.406 0.018 10 0 ECAERN Cn1cc([C@H]2CCCN2C(=O)CCN2CCCS2(=O)=O)cn1 ZINC000171349314 227033185 /nfs/dbraw/zinc/03/31/85/227033185.db2.gz NSMHGJUVEHYSMF-CYBMUJFWSA-N 0 0 326.422 0.509 10 0 ECAERN Cn1cc([C@H]2CCCN2C(=O)NCC(=O)NCC(F)(F)F)cn1 ZINC000171463908 227094122 /nfs/dbraw/zinc/09/41/22/227094122.db2.gz RQOBSWSOYLQMRD-SNVBAGLBSA-N 0 0 333.314 0.945 10 0 ECAERN COCC(=O)N(C)CC(=O)N1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000122626724 222126471 /nfs/dbraw/zinc/12/64/71/222126471.db2.gz QIOVQASBUPLIFQ-CYBMUJFWSA-N 0 0 349.435 0.773 10 0 ECAERN CNC(=O)COc1cccc(CC(=O)N[C@H]2CCc3ncnn3C2)c1 ZINC000123219734 222236909 /nfs/dbraw/zinc/23/69/09/222236909.db2.gz WCYIEHGDQYEYLR-ZDUSSCGKSA-N 0 0 343.387 0.077 10 0 ECAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000124126575 222379587 /nfs/dbraw/zinc/37/95/87/222379587.db2.gz XWPZUUMLNCELAG-JQWIXIFHSA-N 0 0 343.391 0.568 10 0 ECAERN COCCNC(=O)[C@H](CC(C)C)NC(=O)NCCn1cc(C)cn1 ZINC000124903228 222494644 /nfs/dbraw/zinc/49/46/44/222494644.db2.gz BRWTXIJTPNELAF-AWEZNQCLSA-N 0 0 339.440 0.668 10 0 ECAERN Cc1nccn1C[C@@H]1CCCN1C(=O)C(=O)Nc1cnn(C)c1C ZINC000176663932 263153465 /nfs/dbraw/zinc/15/34/65/263153465.db2.gz QFJAOZOBXCWIDP-ZDUSSCGKSA-N 0 0 330.392 0.863 10 0 ECAERN COc1ccc([C@H](C)C(=O)NCC2CN(S(C)(=O)=O)C2)cc1 ZINC000187241692 263160051 /nfs/dbraw/zinc/16/00/51/263160051.db2.gz MADCANLFYPMAAL-NSHDSACASA-N 0 0 326.418 0.806 10 0 ECAERN C[C@H]1COCC[C@H]1C(=O)N1CCN(c2ccc3nncn3n2)CC1 ZINC000192593494 263165863 /nfs/dbraw/zinc/16/58/63/263165863.db2.gz FYYHBDNUFLWHAD-QWHCGFSZSA-N 0 0 330.392 0.446 10 0 ECAERN Cc1cc(N2CCN(CCN3CCO[C@@H](C)C3)CC2)n2ncnc2n1 ZINC000192734131 263166097 /nfs/dbraw/zinc/16/60/97/263166097.db2.gz QQLOSGFZIQZJEF-HNNXBMFYSA-N 0 0 345.451 0.275 10 0 ECAERN O=C(CNC(=O)[C@@H]1CNC(=O)C1)Nc1ccc(Br)cc1 ZINC000194813400 263169444 /nfs/dbraw/zinc/16/94/44/263169444.db2.gz SMSBFTDCZUKUMV-QMMMGPOBSA-N 0 0 340.177 0.640 10 0 ECAERN C[C@H](NC(=O)[C@H]1CNC(=O)C1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000195355346 263170948 /nfs/dbraw/zinc/17/09/48/263170948.db2.gz WGASUESVZBGSTQ-QWHCGFSZSA-N 0 0 344.415 0.866 10 0 ECAERN O=C(Cc1ccc(-n2cccn2)cc1)N1CC[C@](O)(c2cn[nH]n2)C1 ZINC000284510488 264221930 /nfs/dbraw/zinc/22/19/30/264221930.db2.gz CXRKQCHISVHWJS-QGZVFWFLSA-N 0 0 338.371 0.653 10 0 ECAERN CO[C@H]1C[C@@H](C(N)=O)N(Cc2nc(Cc3cccc(F)c3)no2)C1 ZINC000284636716 264237382 /nfs/dbraw/zinc/23/73/82/264237382.db2.gz MDBPLYSXWYXRPM-STQMWFEESA-N 0 0 334.351 0.874 10 0 ECAERN NC(=O)[C@@]1(O)CCCN(C(=O)c2cncc(Br)c2)C1 ZINC000285518346 264320002 /nfs/dbraw/zinc/32/00/02/264320002.db2.gz NBTZZRCOGBZQQY-GFCCVEGCSA-N 0 0 328.166 0.297 10 0 ECAERN CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000189377326 437595227 /nfs/dbraw/zinc/59/52/27/437595227.db2.gz UQGDKEGOUNIEDH-KRWDZBQOSA-N 0 0 341.411 0.697 10 0 ECAERN CC(=O)N[C@@H]1C[C@H](C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21 ZINC000098091763 278150561 /nfs/dbraw/zinc/15/05/61/278150561.db2.gz MQRCTNZVQVRCRD-YLWLKBPMSA-N 0 0 338.432 0.139 10 0 ECAERN CC(=O)N[C@@H]1C[C@@H](C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21 ZINC000059247007 278150582 /nfs/dbraw/zinc/15/05/82/278150582.db2.gz MQRCTNZVQVRCRD-SVGQVSJJSA-N 0 0 338.432 0.139 10 0 ECAERN O=C(NC1CN(C(=O)C2=NN(c3ccccc3)C(=O)CC2)C1)C1CC1 ZINC000189435268 437600409 /nfs/dbraw/zinc/60/04/09/437600409.db2.gz VZMTVWAPNQJKRE-UHFFFAOYSA-N 0 0 340.383 0.906 10 0 ECAERN Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)[C@H]3NCCO[C@@H]3C)C2)n1 ZINC000262360601 281241842 /nfs/dbraw/zinc/24/18/42/281241842.db2.gz VEDZINKKJQXAJJ-YCPHGPKFSA-N 0 0 346.431 0.944 10 0 ECAERN C[C@H](C1CC1)n1cc(NC(=O)NC[C@H](O)CN2CCOCC2)cn1 ZINC000189731120 437607381 /nfs/dbraw/zinc/60/73/81/437607381.db2.gz YZGGOJDCFWUBHK-DOMZBBRYSA-N 0 0 337.424 0.669 10 0 ECAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@@H](C)CS(=O)(=O)CC ZINC000087139273 288633368 /nfs/dbraw/zinc/63/33/68/288633368.db2.gz GKROTRYZDRVETL-QWRGUYRKSA-N 0 0 343.453 0.798 10 0 ECAERN CN(C)[C@H](C(=O)N1CCO[C@@H](C[N@H+](C)CC(=O)[O-])C1)c1ccccc1 ZINC000262794990 289346073 /nfs/dbraw/zinc/34/60/73/289346073.db2.gz DORPGPOAGNZUJK-RDJZCZTQSA-N 0 0 349.431 0.533 10 0 ECAERN CN1C(=O)C[C@@H](C(=O)NCCS(C)(=O)=O)[C@H]1c1ccc(F)cc1 ZINC000155023456 289821510 /nfs/dbraw/zinc/82/15/10/289821510.db2.gz IIICFGLJMCDPNS-TZMCWYRMSA-N 0 0 342.392 0.506 10 0 ECAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)c1nc2nc(C)cc(C)n2n1 ZINC000177713295 293525498 /nfs/dbraw/zinc/52/54/98/293525498.db2.gz HBEJCYLVAFPINI-LLVKDONJSA-N 0 0 326.364 0.906 10 0 ECAERN C[C@@H]1CN([C@@H](CNS(=O)(=O)N(C)C)c2cccs2)CCO1 ZINC000175223583 297069891 /nfs/dbraw/zinc/06/98/91/297069891.db2.gz VULPOQFZDWVFQI-NEPJUHHUSA-N 0 0 333.479 0.906 10 0 ECAERN Cn1cnc(S(=O)(=O)N2CC[C@@H]3OCCN(C)[C@H]3C2)c1Cl ZINC000225451256 294456142 /nfs/dbraw/zinc/45/61/42/294456142.db2.gz JUWHCCOLDHNPHM-UWVGGRQHSA-N 0 0 334.829 0.167 10 0 ECAERN NC(=O)[C@@H]1COCCN1C(=O)Cc1cc(F)ccc1Br ZINC000091779380 295119167 /nfs/dbraw/zinc/11/91/67/295119167.db2.gz JOEUTASXFMBOFX-NSHDSACASA-N 0 0 345.168 0.843 10 0 ECAERN CCS(=O)(=O)N1CC(CNC(=O)N[C@H]2CCCC[C@@H]2CO)C1 ZINC000333069689 297106366 /nfs/dbraw/zinc/10/63/66/297106366.db2.gz ONSKAJUGGCYVAO-OLZOCXBDSA-N 0 0 333.454 0.118 10 0 ECAERN Cc1nc2c(nccc2C(=O)N2CCN(Cc3ncc[nH]3)CC2)[nH]1 ZINC000333245568 297120579 /nfs/dbraw/zinc/12/05/79/297120579.db2.gz JDNSDJPJCPNBPL-UHFFFAOYSA-N 0 0 325.376 0.947 10 0 ECAERN C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)N1CCC[C@H](n2ccnn2)C1 ZINC000333414066 297132377 /nfs/dbraw/zinc/13/23/77/297132377.db2.gz QIPCDHBOONMHFD-SDDRHHMPSA-N 0 0 327.410 0.058 10 0 ECAERN O=C(N1CCOCC1)N1CCNC(=O)[C@H]1Cc1nc2ccccc2o1 ZINC000333453460 297135559 /nfs/dbraw/zinc/13/55/59/297135559.db2.gz OAYQFVWAFSGLGS-CYBMUJFWSA-N 0 0 344.371 0.623 10 0 ECAERN Cc1nnc([C@@H]2CCN(C(=O)[C@@H]3COCCN3CC3CCC3)C2)[nH]1 ZINC000334115885 297164514 /nfs/dbraw/zinc/16/45/14/297164514.db2.gz HDTLOQQJFXXTDP-CABCVRRESA-N 0 0 333.436 0.930 10 0 ECAERN CO[C@H]1C[C@@H](C(N)=O)N(C(=O)Cc2cnn(-c3ccccc3)c2)C1 ZINC000344974202 298095820 /nfs/dbraw/zinc/09/58/20/298095820.db2.gz PKFHADLOLOXKFJ-GJZGRUSLSA-N 0 0 328.372 0.516 10 0 ECAERN CO[C@H]1C[C@@H](CO)N(C(=O)c2ccc(=O)n(-c3ccccc3F)n2)C1 ZINC000345280932 298139508 /nfs/dbraw/zinc/13/95/08/298139508.db2.gz FVXTWPMVGSZJMV-RYUDHWBXSA-N 0 0 347.346 0.593 10 0 ECAERN CO[C@H]1C[C@H](C(=O)N(C)C[C@H]2CCCC[C@H]2O)N(S(C)(=O)=O)C1 ZINC000363756006 300291501 /nfs/dbraw/zinc/29/15/01/300291501.db2.gz XBOSTRYKJNTGRL-XJFOESAGSA-N 0 0 348.465 0.045 10 0 ECAERN NC(=O)CN1CCN(C[C@H](O)COCc2ccc(Cl)cc2)CC1 ZINC000073368280 436075627 /nfs/dbraw/zinc/07/56/27/436075627.db2.gz JYGAPEJLHJJPIS-HNNXBMFYSA-N 0 0 341.839 0.320 10 0 ECAERN Cc1cc(=O)[nH]c(SCC(=O)NN2C(=O)c3ccccc3C2=O)n1 ZINC000015777317 436083208 /nfs/dbraw/zinc/08/32/08/436083208.db2.gz AHHXXRANNSWEJE-UHFFFAOYSA-N 0 0 344.352 0.498 10 0 ECAERN Cc1nc2nc(N)nn2c(C)c1CCC(=O)N[C@H](C)[C@@H]1CCCO1 ZINC000073725273 436090876 /nfs/dbraw/zinc/09/08/76/436090876.db2.gz NQOVOYXUJXJOSA-MFKMUULPSA-N 0 0 332.408 0.940 10 0 ECAERN CCCCN1CCOC[C@H]1C(=O)N1CCS(=O)(=O)C[C@H](C)C1 ZINC000373896340 301086720 /nfs/dbraw/zinc/08/67/20/301086720.db2.gz ROBZSERTUZDZNN-KGLIPLIRSA-N 0 0 332.466 0.380 10 0 ECAERN CC[C@H]1Oc2ccc(S(=O)(=O)N3CCNCC3)cc2NC1=O ZINC000032918110 436248171 /nfs/dbraw/zinc/24/81/71/436248171.db2.gz IUDIWHFTJDNWLV-GFCCVEGCSA-N 0 0 325.390 0.390 10 0 ECAERN C[C@H](CNC(=O)C(=O)Nc1ccccc1N(C)C)N1CCOCC1 ZINC000041601328 436280055 /nfs/dbraw/zinc/28/00/55/436280055.db2.gz NDHSZXGALZCRNY-CYBMUJFWSA-N 0 0 334.420 0.528 10 0 ECAERN CNS(=O)(=O)c1cc(C(=O)N2[C@@H](C)COC[C@@H]2C)ccc1F ZINC000084190047 436378112 /nfs/dbraw/zinc/37/81/12/436378112.db2.gz KPTSNXQBBHJDAX-UWVGGRQHSA-N 0 0 330.381 0.983 10 0 ECAERN CC(=O)N(CCc1ccccc1)CC(=O)NC[C@@H](C)N1CCOCC1 ZINC000090167692 436429958 /nfs/dbraw/zinc/42/99/58/436429958.db2.gz ZJGUSHWNFCXCIB-MRXNPFEDSA-N 0 0 347.459 0.915 10 0 ECAERN CCc1nnc(CS(=O)(=O)CC(=O)N[C@@H]2CCCC[C@H]2C)n1C ZINC000091049660 436439546 /nfs/dbraw/zinc/43/95/46/436439546.db2.gz MYRJSTFDPXHMTF-VXGBXAGGSA-N 0 0 342.465 0.987 10 0 ECAERN CCNC(=O)c1ccc(CNC(=O)NC[C@@H](C)N2CCOCC2)cc1 ZINC000048851012 436460422 /nfs/dbraw/zinc/46/04/22/436460422.db2.gz GYGWNCFUKWALTE-CQSZACIVSA-N 0 0 348.447 0.956 10 0 ECAERN NC(=O)[C@@H]1COCCN1CC(=O)NCCc1ccc(Cl)cc1 ZINC000092229188 436468757 /nfs/dbraw/zinc/46/87/57/436468757.db2.gz UJYCYQDTYLPWJD-ZDUSSCGKSA-N 0 0 325.796 0.185 10 0 ECAERN CNc1ncc(Br)cc1S(=O)(=O)N1CCOCC1 ZINC000050636602 436476321 /nfs/dbraw/zinc/47/63/21/436476321.db2.gz ORVPHFPOELRYPU-UHFFFAOYSA-N 0 0 336.211 0.907 10 0 ECAERN CC(C)C(=O)N1CCCN(C(=O)NC[C@H]2CN(C)CCO2)CC1 ZINC000104797349 436562475 /nfs/dbraw/zinc/56/24/75/436562475.db2.gz UCZAGTHKIOHREP-AWEZNQCLSA-N 0 0 326.441 0.217 10 0 ECAERN COC[C@@H](C)C(=O)N1CCC(CC(=O)N2CCN(C)CC2)CC1 ZINC000108999800 436622167 /nfs/dbraw/zinc/62/21/67/436622167.db2.gz ZFOXWGCBWMAUPP-CQSZACIVSA-N 0 0 325.453 0.672 10 0 ECAERN COC(=O)c1ccc(N2CCO[C@H](Cn3nc(C)cc3C)C2)nn1 ZINC000108950516 436623003 /nfs/dbraw/zinc/62/30/03/436623003.db2.gz VIIWASLWAJBRHL-ZDUSSCGKSA-N 0 0 331.376 0.982 10 0 ECAERN Cn1cc([C@H]2CCCN2C(=O)NCCCN2C(=O)CCC2=O)cn1 ZINC000106273161 436589830 /nfs/dbraw/zinc/58/98/30/436589830.db2.gz YEYRPWPHYGYOIZ-CYBMUJFWSA-N 0 0 333.392 0.806 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)[C@@H]2Cc3ccccc3C(=O)O2)CC1 ZINC000106397985 436593985 /nfs/dbraw/zinc/59/39/85/436593985.db2.gz IOSUNHNBCGJSSW-HOCLYGCPSA-N 0 0 332.400 0.683 10 0 ECAERN O=C(CNC(=O)c1ccc(F)cc1F)N[C@@H]1CCc2ncnn2C1 ZINC000112725436 436633540 /nfs/dbraw/zinc/63/35/40/436633540.db2.gz XEOCLEFFENKFJX-SNVBAGLBSA-N 0 0 335.314 0.417 10 0 ECAERN Cc1cc(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)c2c(=O)[nH]n(C)c2n1 ZINC000113231583 436636722 /nfs/dbraw/zinc/63/67/22/436636722.db2.gz AVKOWDYBVWLKSW-RYUDHWBXSA-N 0 0 329.404 0.879 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)CS(=O)(=O)C1CCCC1)CC2 ZINC000114872650 436644825 /nfs/dbraw/zinc/64/48/25/436644825.db2.gz RYUHGYZNWSHDHV-NSHDSACASA-N 0 0 340.449 0.629 10 0 ECAERN COC(=O)NCCC(=O)N1CCN(Cc2c(C)nn(C)c2C)CC1 ZINC000115387529 436646977 /nfs/dbraw/zinc/64/69/77/436646977.db2.gz IWBQYDHZDOBGRA-UHFFFAOYSA-N 0 0 337.424 0.427 10 0 ECAERN Cn1cc([C@@H]2CCN(C(=O)NCC(=O)NCC(F)(F)F)C2)cn1 ZINC000116423395 436650213 /nfs/dbraw/zinc/65/02/13/436650213.db2.gz OJNSCNZVSJUWAM-SECBINFHSA-N 0 0 333.314 0.598 10 0 ECAERN Cn1cc([C@@H]2CCN(C(=O)CNC(=O)COc3ccccc3)C2)cn1 ZINC000116466463 436650551 /nfs/dbraw/zinc/65/05/51/436650551.db2.gz JYBPGJPGMJWXPA-CQSZACIVSA-N 0 0 342.399 0.931 10 0 ECAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)c1ccc(C(N)=O)cn1)CC2 ZINC000136891539 436654600 /nfs/dbraw/zinc/65/46/00/436654600.db2.gz RSDWIUVLGXALIB-NSHDSACASA-N 0 0 328.376 0.640 10 0 ECAERN Cn1cc(CN2CCCN(C(=O)NCCn3ccnc3)CC2)cn1 ZINC000115778853 436648087 /nfs/dbraw/zinc/64/80/87/436648087.db2.gz WRKITHPGMDXUOB-UHFFFAOYSA-N 0 0 331.424 0.534 10 0 ECAERN CCCN(C)S(=O)(=O)N1CCN([C@@H](C)c2nc(CC)no2)CC1 ZINC000120545501 436690618 /nfs/dbraw/zinc/69/06/18/436690618.db2.gz ALUONOLMEOVNNQ-LBPRGKRZSA-N 0 0 345.469 0.897 10 0 ECAERN CCNC(=O)C1CN(C(=O)[C@@H]2CC(=O)N(C)[C@H]2c2ccc(F)cc2)C1 ZINC000120638130 436694432 /nfs/dbraw/zinc/69/44/32/436694432.db2.gz JXNDIAXBDSHMQX-ZBFHGGJFSA-N 0 0 347.390 0.940 10 0 ECAERN COCCS(=O)(=O)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000151313611 436699943 /nfs/dbraw/zinc/69/99/43/436699943.db2.gz MQFFUAVTQGWKGW-OAHLLOKOSA-N 0 0 328.434 0.314 10 0 ECAERN CNS(=O)(=O)c1ccc(C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)o1 ZINC000151351869 436701719 /nfs/dbraw/zinc/70/17/19/436701719.db2.gz ULLXKUQBYQVEOQ-ABAIWWIYSA-N 0 0 342.417 0.955 10 0 ECAERN CCCN(C)S(=O)(=O)NC[C@H]1CCCN1c1cc(NC)ncn1 ZINC000121072675 436705865 /nfs/dbraw/zinc/70/58/65/436705865.db2.gz ANDFGYZEXQCNNV-GFCCVEGCSA-N 0 0 342.469 0.663 10 0 ECAERN Cc1ccn(CC(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)c(=O)c1 ZINC000194365384 436663995 /nfs/dbraw/zinc/66/39/95/436663995.db2.gz IMSYBIMJQANBFT-LBPRGKRZSA-N 0 0 349.412 0.682 10 0 ECAERN CCc1cc(=O)[nH]c(CN2CCN(c3ccc4nncn4n3)CC2)n1 ZINC000120008161 436675915 /nfs/dbraw/zinc/67/59/15/436675915.db2.gz ICFBVJGBGVXRFX-UHFFFAOYSA-N 0 0 340.391 0.505 10 0 ECAERN CCc1noc([C@@H](C)N2CCN(S(=O)(=O)C[C@H](C)OC)CC2)n1 ZINC000195247446 436683418 /nfs/dbraw/zinc/68/34/18/436683418.db2.gz UNSFXIYJKQOUQY-NWDGAFQWSA-N 0 0 346.453 0.675 10 0 ECAERN CCC[C@H](C(=O)NC[C@H](O)CS(=O)(=O)c1cccs1)N(C)C ZINC000120393873 436686128 /nfs/dbraw/zinc/68/61/28/436686128.db2.gz UOWAVZRJWHEYNQ-NWDGAFQWSA-N 0 0 348.490 0.729 10 0 ECAERN CCn1ccnc1CN1C(=O)N[C@](C)(c2cccc(C(N)=O)c2)C1=O ZINC000067782960 436723866 /nfs/dbraw/zinc/72/38/66/436723866.db2.gz AKUXSJBOJKIKLW-QGZVFWFLSA-N 0 0 341.371 0.969 10 0 ECAERN O=C(c1cccc(-n2ccnn2)c1)N1CC[C@H](N2CCOCC2)C1 ZINC000153743686 436761642 /nfs/dbraw/zinc/76/16/42/436761642.db2.gz HLUJDKLBPOWRRE-INIZCTEOSA-N 0 0 327.388 0.814 10 0 ECAERN COCCc1cc(NC(=O)NC[C@@H](C)N2CCOCC2)n(C)n1 ZINC000128013455 436809524 /nfs/dbraw/zinc/80/95/24/436809524.db2.gz JCSQJSGPSOUCID-GFCCVEGCSA-N 0 0 325.413 0.451 10 0 ECAERN Cc1cnn(C[C@@H]2CN(S(=O)(=O)N3CCC[C@H]3C)CCO2)c1 ZINC000248735196 436809854 /nfs/dbraw/zinc/80/98/54/436809854.db2.gz QQLYIHCACHIGTM-ZIAGYGMSSA-N 0 0 328.438 0.621 10 0 ECAERN CC(C)n1nnnc1CS(=O)(=O)CC(=O)NCCC(C)(C)C ZINC000156245178 436813258 /nfs/dbraw/zinc/81/32/58/436813258.db2.gz XBPMRCIRTOPKBA-UHFFFAOYSA-N 0 0 331.442 0.721 10 0 ECAERN CCC[C@@H](NCc1cn(C)c(=O)n(C)c1=O)C(=O)OC(C)(C)C ZINC000156568757 436817995 /nfs/dbraw/zinc/81/79/95/436817995.db2.gz ULAGTTOUDMBHSZ-GFCCVEGCSA-N 0 0 325.409 0.684 10 0 ECAERN COC(=O)[C@H]1Cc2ccccc2CN1C[C@@H](O)CN1CCCC1=O ZINC000246159207 436773669 /nfs/dbraw/zinc/77/36/69/436773669.db2.gz CFHCCLVWIAICSV-JKSUJKDBSA-N 0 0 332.400 0.570 10 0 ECAERN CCOCCN1CCN(C(=O)C(=O)Nc2ccnn2C)C[C@H]1CC ZINC000154545652 436781072 /nfs/dbraw/zinc/78/10/72/436781072.db2.gz OEXVTMVQHNXRLY-CYBMUJFWSA-N 0 0 337.424 0.318 10 0 ECAERN CCNC(=O)NC1(C(=O)N2CCN(C[C@H](C)O)[C@@H](C)C2)CCCC1 ZINC000246674144 436782450 /nfs/dbraw/zinc/78/24/50/436782450.db2.gz IFIGSGBYXWDSRV-KBPBESRZSA-N 0 0 340.468 0.532 10 0 ECAERN NC(=O)[C@H]1COCCN1S(=O)(=O)c1cccc(Br)c1 ZINC000126602895 436788550 /nfs/dbraw/zinc/78/85/50/436788550.db2.gz QGIHDWIICDBWMY-SNVBAGLBSA-N 0 0 349.206 0.324 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)N[C@@H](CCO)CSC)CC2 ZINC000155166554 436791072 /nfs/dbraw/zinc/79/10/72/436791072.db2.gz FHFMPRCDQUSWLS-MNOVXSKESA-N 0 0 327.454 0.569 10 0 ECAERN CCn1cc(C(=O)C(=O)N[C@@H]2CCc3nc(C(C)C)nn3C2)cn1 ZINC000126728725 436791503 /nfs/dbraw/zinc/79/15/03/436791503.db2.gz ZUWRHVZWXGFHAV-GFCCVEGCSA-N 0 0 330.392 0.932 10 0 ECAERN CN(Cc1cn(C)nc1C(F)(F)F)C[C@H](O)CN1CCCC1=O ZINC000155328397 436793189 /nfs/dbraw/zinc/79/31/89/436793189.db2.gz YFZMLQOGOGGDAG-NSHDSACASA-N 0 0 334.342 0.854 10 0 ECAERN Cc1nc2nc(N)nn2c(C)c1CCC(=O)NC[C@H]1CCCC[C@H]1O ZINC000155461517 436796166 /nfs/dbraw/zinc/79/61/66/436796166.db2.gz RXBBUHRWODDVSC-TZMCWYRMSA-N 0 0 346.435 0.923 10 0 ECAERN CCOCCN1CCN(Cc2nc(CS(C)(=O)=O)no2)C[C@H]1C ZINC000247689985 436797085 /nfs/dbraw/zinc/79/70/85/436797085.db2.gz VRZRWAGYOQGXNB-GFCCVEGCSA-N 0 0 346.453 0.157 10 0 ECAERN O=C(Nc1cnn(CC(F)F)c1)C(=O)N[C@@H]1CCCC[C@@H]1CO ZINC000158285084 436843579 /nfs/dbraw/zinc/84/35/79/436843579.db2.gz FVFWDGFIWPXTBB-MWLCHTKSSA-N 0 0 330.335 0.754 10 0 ECAERN C[C@@H](NC(=O)c1ccco1)C(=O)N[C@H](C(N)=O)c1ccc(F)cc1 ZINC000131661961 436855680 /nfs/dbraw/zinc/85/56/80/436855680.db2.gz BSMQZXVGPPBCRZ-RNCFNFMXSA-N 0 0 333.319 0.880 10 0 ECAERN Cn1cc(C(=O)N2CCC(N3CC(F)(F)C[C@H]3CO)CC2)cn1 ZINC000257189450 436857381 /nfs/dbraw/zinc/85/73/81/436857381.db2.gz IVZPFLFQOBEYJU-ZDUSSCGKSA-N 0 0 328.363 0.727 10 0 ECAERN Cc1ccn(CC(=O)N2CCC(N3CC(F)(F)C[C@H]3CO)CC2)n1 ZINC000257194890 436860573 /nfs/dbraw/zinc/86/05/73/436860573.db2.gz UWRPKCSYPSABQH-AWEZNQCLSA-N 0 0 342.390 0.884 10 0 ECAERN CN1C(=O)C[C@@H](C(=O)N2CCN(CCO)CC2)[C@H]1c1ccc(F)cc1 ZINC000132197297 436862995 /nfs/dbraw/zinc/86/29/95/436862995.db2.gz AXBAZLVBJHRQCR-NVXWUHKLSA-N 0 0 349.406 0.482 10 0 ECAERN O=C(CCCOc1ccccc1F)NC[C@H](O)CN1CCOCC1 ZINC000129396716 436827079 /nfs/dbraw/zinc/82/70/79/436827079.db2.gz IHDCHIWFZDKZQR-AWEZNQCLSA-N 0 0 340.395 0.794 10 0 ECAERN Cc1[nH]c(=O)c(C(=O)NC[C@@H]2CN(C)CCO2)cc1Br ZINC000163150229 436918431 /nfs/dbraw/zinc/91/84/31/436918431.db2.gz XNDOWGTWHVRNMS-SECBINFHSA-N 0 0 344.209 0.919 10 0 ECAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)N1CCNC(=O)[C@@H]1C(C)C)CC2 ZINC000161557900 436894736 /nfs/dbraw/zinc/89/47/36/436894736.db2.gz IRNBUYHLRIYWNO-JSGCOSHPSA-N 0 0 348.451 0.882 10 0 ECAERN CCn1cc(C(=O)C(=O)N2CCO[C@@H](Cn3cc(C)cn3)C2)cn1 ZINC000134356983 436896209 /nfs/dbraw/zinc/89/62/09/436896209.db2.gz XMCLUXYEQNRDJT-CQSZACIVSA-N 0 0 331.376 0.518 10 0 ECAERN CCCNC(=O)C1CCN(C(=O)NC[C@H]2CN(C)CCO2)CC1 ZINC000170924948 436962705 /nfs/dbraw/zinc/96/27/05/436962705.db2.gz KWSUCJNILXMNMP-AWEZNQCLSA-N 0 0 326.441 0.265 10 0 ECAERN CN1CCO[C@H](CNC(=O)CNC(=O)c2cc(F)cc(F)c2)C1 ZINC000171286158 436976393 /nfs/dbraw/zinc/97/63/93/436976393.db2.gz WPZWVDDSODNECE-CYBMUJFWSA-N 0 0 327.331 0.141 10 0 ECAERN CC(=O)[C@@H]1CC(C(=O)NC[C@H]2CN(C)CCO2)=NN1c1ccccc1 ZINC000171286686 436976945 /nfs/dbraw/zinc/97/69/45/436976945.db2.gz CLWZHEQMSWSEQZ-RDJZCZTQSA-N 0 0 344.415 0.657 10 0 ECAERN CN(Cc1cnn(C)c1)C(=O)CN1CCCN(c2cccnn2)CC1 ZINC000171548666 436981427 /nfs/dbraw/zinc/98/14/27/436981427.db2.gz QSURONOHACBLNI-UHFFFAOYSA-N 0 0 343.435 0.381 10 0 ECAERN Cc1cccc(OCC(=O)N2CCO[C@H](C[N@@H+](C)CC(=O)[O-])C2)c1 ZINC000262915280 436944960 /nfs/dbraw/zinc/94/49/60/436944960.db2.gz KGLIDYAWGCCJHP-OAHLLOKOSA-N 0 0 336.388 0.618 10 0 ECAERN O=C(NC1CCN(C(=O)c2ccco2)CC1)[C@H]1CC(F)(F)CN1 ZINC000262986312 436947846 /nfs/dbraw/zinc/94/78/46/436947846.db2.gz NFLTXOKAHJVJQE-LLVKDONJSA-N 0 0 327.331 0.998 10 0 ECAERN C[C@H](CC(=O)NC[C@@H]1CN(C)CCO1)NC(=O)C1CCCCC1 ZINC000170758447 436953128 /nfs/dbraw/zinc/95/31/28/436953128.db2.gz ZSQZVDSIWNURLG-UKRRQHHQSA-N 0 0 325.453 0.908 10 0 ECAERN CN1CCO[C@H](CNC(=O)NCc2ccc(Cn3cncn3)cc2)C1 ZINC000170920468 436959915 /nfs/dbraw/zinc/95/99/15/436959915.db2.gz CJHDVVWKGVNYBP-MRXNPFEDSA-N 0 0 344.419 0.456 10 0 ECAERN O=C(CNC(=O)c1ccccn1)N1CCC(Nc2cccnn2)CC1 ZINC000172542023 437018517 /nfs/dbraw/zinc/01/85/17/437018517.db2.gz BIFPYPOGFQLMFS-UHFFFAOYSA-N 0 0 340.387 0.705 10 0 ECAERN CC[C@@H]1CN(C(=O)c2ccc(-n3cnnn3)cc2)CCN1CCOC ZINC000172233056 437005681 /nfs/dbraw/zinc/00/56/81/437005681.db2.gz FKSQSLODDLGEPX-OAHLLOKOSA-N 0 0 344.419 0.845 10 0 ECAERN OC[C@H]1CCCN(c2cc(N[C@H]3CCc4ncnn4C3)ncn2)C1 ZINC000264528070 437042029 /nfs/dbraw/zinc/04/20/29/437042029.db2.gz WJBVXLZQDKMVQU-STQMWFEESA-N 0 0 329.408 0.704 10 0 ECAERN COCCn1cc(NC(=O)N2CCN(C[C@@H](C)O)[C@H](C)C2)cn1 ZINC000173237718 437042735 /nfs/dbraw/zinc/04/27/35/437042735.db2.gz CNKRSWBSRAEAER-CHWSQXEVSA-N 0 0 325.413 0.448 10 0 ECAERN Cc1nnc([C@H]2CN(C(=O)CCCNC(=O)C(C)(C)C)CCO2)[nH]1 ZINC000173522004 437055265 /nfs/dbraw/zinc/05/52/65/437055265.db2.gz YKSDFWNFWLRVJB-GFCCVEGCSA-N 0 0 337.424 0.956 10 0 ECAERN Cc1nnc([C@H]2CN(C(=O)CN(C)C(=O)c3cccs3)CCO2)[nH]1 ZINC000173535730 437055489 /nfs/dbraw/zinc/05/54/89/437055489.db2.gz NHIYPNIPDYRTNV-LLVKDONJSA-N 0 0 349.416 0.847 10 0 ECAERN CCc1nnc([C@@H]2CN(C(=O)CCNC(=O)CC(C)C)CCO2)[nH]1 ZINC000173576879 437057560 /nfs/dbraw/zinc/05/75/60/437057560.db2.gz XXQWYELBQGSJOE-LBPRGKRZSA-N 0 0 337.424 0.819 10 0 ECAERN CCO[C@@H]1C[C@H](N(C)C(=O)c2cn(CC(N)=O)nn2)C12CCCC2 ZINC000173720754 437062168 /nfs/dbraw/zinc/06/21/68/437062168.db2.gz SYUPKQICQIIMND-QWHCGFSZSA-N 0 0 335.408 0.573 10 0 ECAERN NC(=O)c1ccc(CNC(=O)N2CC[C@@H](N3CCOCC3)C2)cc1 ZINC000173822237 437066781 /nfs/dbraw/zinc/06/67/81/437066781.db2.gz IRLVNPFQFFRRAG-OAHLLOKOSA-N 0 0 332.404 0.402 10 0 ECAERN Cc1cnn(CCNC(=O)c2cc(S(=O)(=O)N(C)C)c(C)o2)c1 ZINC000176650100 437151879 /nfs/dbraw/zinc/15/18/79/437151879.db2.gz YPVHHQVXUVHREA-UHFFFAOYSA-N 0 0 340.405 0.773 10 0 ECAERN CNC(=O)c1ccc(S(=O)(=O)N[C@@H]2CCCn3ncnc32)cc1 ZINC000176744731 437154690 /nfs/dbraw/zinc/15/46/90/437154690.db2.gz YILICOAYAMLYGL-GFCCVEGCSA-N 0 0 335.389 0.451 10 0 ECAERN CN(C)c1ccc(S(=O)(=O)N2CCO[C@@H]3CCN(C)C[C@H]32)cn1 ZINC000286674256 437118393 /nfs/dbraw/zinc/11/83/93/437118393.db2.gz KTPXZDMMHLMBAG-ZIAGYGMSSA-N 0 0 340.449 0.241 10 0 ECAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCN(c2cnccn2)CC1 ZINC000175889252 437123499 /nfs/dbraw/zinc/12/34/99/437123499.db2.gz RFQNJERKWZHJOC-ZDUSSCGKSA-N 0 0 342.407 0.743 10 0 ECAERN CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1ncn(CC(=O)N(C)C)n1 ZINC000175950223 437126577 /nfs/dbraw/zinc/12/65/77/437126577.db2.gz BQBUOMJDVOWKIN-GFCCVEGCSA-N 0 0 337.428 0.314 10 0 ECAERN CC(C)N1C(=O)C[C@@H](NC(=O)[C@H](Cc2ccccc2)N(C)C)C1=O ZINC000176242520 437137335 /nfs/dbraw/zinc/13/73/35/437137335.db2.gz VVTHOLJYNSCRNT-CABCVRRESA-N 0 0 331.416 0.811 10 0 ECAERN CNS(=O)(=O)c1cc(C(=O)NCCn2cc(C)cn2)ccc1F ZINC000177488326 437188344 /nfs/dbraw/zinc/18/83/44/437188344.db2.gz ZVTBWKGQAVRUPW-UHFFFAOYSA-N 0 0 340.380 0.669 10 0 ECAERN CCOc1cc(F)ccc1NC(=O)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000177628667 437191724 /nfs/dbraw/zinc/19/17/24/437191724.db2.gz NTCCIUONQBLRGJ-NSHDSACASA-N 0 0 347.350 0.886 10 0 ECAERN Cc1cc(NC(=O)C(=O)N[C@H]2CCc3ncnn3C2)ccc1N(C)C ZINC000177634084 437192784 /nfs/dbraw/zinc/19/27/84/437192784.db2.gz FEMQPFYUVZELIT-ZDUSSCGKSA-N 0 0 342.403 0.722 10 0 ECAERN CCOCCN1CCN(C(=O)C(=O)Nc2cccnc2)C[C@@H]1CC ZINC000177619446 437192801 /nfs/dbraw/zinc/19/28/01/437192801.db2.gz NILOMNDDIZSTNT-HNNXBMFYSA-N 0 0 334.420 0.979 10 0 ECAERN C[C@@H](c1nc(Cc2ccccc2)no1)S(=O)(=O)C[C@H](O)CO ZINC000177672058 437194417 /nfs/dbraw/zinc/19/44/17/437194417.db2.gz ICHWYQPXADUURZ-CMPLNLGQSA-N 0 0 326.374 0.489 10 0 ECAERN CO[C@H]1C[C@@H](CO)N(c2ncc(I)cn2)C1 ZINC000309735911 437169554 /nfs/dbraw/zinc/16/95/54/437169554.db2.gz GNCMMVTVCHKCLQ-IUCAKERBSA-N 0 0 335.145 0.667 10 0 ECAERN Cc1nccn1C[C@@H]1CCCN1C(=O)CCN1CCCS1(=O)=O ZINC000177164203 437170243 /nfs/dbraw/zinc/17/02/43/437170243.db2.gz KXCLYVFQFVAMMU-AWEZNQCLSA-N 0 0 340.449 0.608 10 0 ECAERN O=S(=O)(N1C[C@H](CO)[C@H](c2ccsc2)C1)N1CCOCC1 ZINC000328613456 437239164 /nfs/dbraw/zinc/23/91/64/437239164.db2.gz SAKOLRXVNJLTNS-OLZOCXBDSA-N 0 0 332.447 0.333 10 0 ECAERN CN1CCN(S(=O)(=O)CC2CCOCC2)C[C@H]1c1ncc[nH]1 ZINC000328616992 437240040 /nfs/dbraw/zinc/24/00/40/437240040.db2.gz CGFCCNNACMAWON-ZDUSSCGKSA-N 0 0 328.438 0.455 10 0 ECAERN CNC(=O)[C@H](NS(=O)(=O)c1cnc2c(c1)c(C)nn2C)C(C)C ZINC000178924394 437240484 /nfs/dbraw/zinc/24/04/84/437240484.db2.gz XJAVJRIPIKQVTE-GFCCVEGCSA-N 0 0 339.421 0.326 10 0 ECAERN Cn1cnnc1[C@@H]1CN(C(=O)COCCc2ccccc2)CCO1 ZINC000328627376 437241253 /nfs/dbraw/zinc/24/12/53/437241253.db2.gz MTJOHYVIOYDNNG-HNNXBMFYSA-N 0 0 330.388 0.974 10 0 ECAERN CCN(C(=O)CN1CCN(c2cncc3nc(C)nn32)CC1)C1CC1 ZINC000328630914 437241560 /nfs/dbraw/zinc/24/15/60/437241560.db2.gz JWDRNZAMELDMOU-UHFFFAOYSA-N 0 0 343.435 0.566 10 0 ECAERN Cn1cnnc1[C@@H]1CN([C@@H]2CCN(c3ccccc3)C2=O)CCO1 ZINC000328629489 437242095 /nfs/dbraw/zinc/24/20/95/437242095.db2.gz IHLMBEBWKKHTRG-CABCVRRESA-N 0 0 327.388 0.994 10 0 ECAERN CCN1CCN(C(=O)CCc2ccnn2C)C[C@H]1c1nccn1C ZINC000328632196 437244090 /nfs/dbraw/zinc/24/40/90/437244090.db2.gz RSOSYMCLQXJYJJ-HNNXBMFYSA-N 0 0 330.436 0.992 10 0 ECAERN CCn1cnnc1[C@@H]1CN(CC(=O)N2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC000328642556 437247060 /nfs/dbraw/zinc/24/70/60/437247060.db2.gz RCNWPRDGWWMMAF-MJBXVCDLSA-N 0 0 337.424 0.307 10 0 ECAERN O=C1[C@@H](N2CCO[C@H](Cn3cccn3)C2)CCN1C1CCOCC1 ZINC000328667657 437248271 /nfs/dbraw/zinc/24/82/71/437248271.db2.gz KYVWHZHZLAKTKB-HOTGVXAUSA-N 0 0 334.420 0.364 10 0 ECAERN CNS(=O)(=O)c1cc(C(=O)N2CCN3CCCC[C@H]3C2)co1 ZINC000179374674 437261958 /nfs/dbraw/zinc/26/19/58/437261958.db2.gz DTACIWABQIBNBY-LBPRGKRZSA-N 0 0 327.406 0.498 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)Nc2cc(CCOC)nn2C)CC1 ZINC000181243466 437315585 /nfs/dbraw/zinc/31/55/85/437315585.db2.gz WXZCRFBLOQCNTB-CQSZACIVSA-N 0 0 339.440 0.529 10 0 ECAERN C[C@H]1CN(C(=O)C(=O)Nc2cccc(F)c2)C[C@@H]1N1CCOCC1 ZINC000180247229 437282173 /nfs/dbraw/zinc/28/21/73/437282173.db2.gz KBPGEBDGAYFMHQ-WFASDCNBSA-N 0 0 335.379 0.943 10 0 ECAERN C[C@H]1CN(C(=O)C(=O)Nc2ccc(F)nc2)C[C@@H]1N1CCOCC1 ZINC000180254974 437282565 /nfs/dbraw/zinc/28/25/65/437282565.db2.gz GPEGEEQQYVSEGW-AAEUAGOBSA-N 0 0 336.367 0.338 10 0 ECAERN C[C@H]1C[N@H+](CC(=O)[N-]OCc2ccccc2)C[C@@H]1N1CCOCC1 ZINC000180536307 437293237 /nfs/dbraw/zinc/29/32/37/437293237.db2.gz BPUCCJRQCNSTCZ-RDJZCZTQSA-N 0 0 333.432 0.887 10 0 ECAERN CC[C@H]1CN(C(=O)NCCCN2CCOCC2)CC[N@@H+]1C[C@@H](C)O ZINC000184683881 437407840 /nfs/dbraw/zinc/40/78/40/437407840.db2.gz HIUGVEZOMYLZOO-CVEARBPZSA-N 0 0 342.484 0.195 10 0 ECAERN COCC(=O)NC1CN(C(=O)CCc2cnn(-c3ccccc3)c2)C1 ZINC000185213327 437429522 /nfs/dbraw/zinc/42/95/22/437429522.db2.gz ATCFYDIRYRHQKQ-UHFFFAOYSA-N 0 0 342.399 0.778 10 0 ECAERN Cn1cc(NC(=O)C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)ccc1=O ZINC000183135735 437377514 /nfs/dbraw/zinc/37/75/14/437377514.db2.gz YFGXFLUGHCEFFE-PXAZEXFGSA-N 0 0 333.388 0.477 10 0 ECAERN CN1CCO[C@@H](CNS(=O)(=O)c2cnn(CC(F)(F)F)c2)C1 ZINC000184275428 437399417 /nfs/dbraw/zinc/39/94/17/437399417.db2.gz JEJSYMRXYCBPSI-VIFPVBQESA-N 0 0 342.343 0.054 10 0 ECAERN COCC(=O)NC1CN(C(=O)c2c(C)c3ccccc3oc2=O)C1 ZINC000186310388 437470194 /nfs/dbraw/zinc/47/01/94/437470194.db2.gz BGUCGEZNBCCGLC-UHFFFAOYSA-N 0 0 330.340 0.688 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)c1cc(OC(F)F)n(C)n1)CC2 ZINC000185574194 437443981 /nfs/dbraw/zinc/44/39/81/437443981.db2.gz UAGPYBOUVPNXHE-MRVPVSSYSA-N 0 0 340.334 0.920 10 0 ECAERN C[C@H]1C(=O)NCCCN1C(=O)CCCc1ccc2[nH]c(=O)[nH]c2c1 ZINC000188065151 437524097 /nfs/dbraw/zinc/52/40/97/437524097.db2.gz MLMXQTHOUOIDJC-NSHDSACASA-N 0 0 330.388 0.916 10 0 ECAERN CCO[C@H]1C[C@H](NC(=O)Cn2nnnc2C(C)C)C12CCOCC2 ZINC000187053258 437490346 /nfs/dbraw/zinc/49/03/46/437490346.db2.gz UKCNXYOQEBNYLJ-STQMWFEESA-N 0 0 337.424 0.887 10 0 ECAERN O=C(NC1CN(C(=O)[C@@H]2CC[C@@H](C(F)(F)F)NC2=O)C1)C1CCC1 ZINC000188480965 437550987 /nfs/dbraw/zinc/55/09/87/437550987.db2.gz PUDHBRZUPZQJPD-MNOVXSKESA-N 0 0 347.337 0.571 10 0 ECAERN O=C(NCC(=O)N1CC(NC(=O)C2CCC2)C1)NCc1ccco1 ZINC000189228669 437588728 /nfs/dbraw/zinc/58/87/28/437588728.db2.gz MNGMHPYSVFCTLW-UHFFFAOYSA-N 0 0 334.376 0.206 10 0 ECAERN CCn1cc([C@H]2CN(CC(=O)NCc3cccnc3)CCO2)cn1 ZINC000190781307 437638945 /nfs/dbraw/zinc/63/89/45/437638945.db2.gz ZIQUEQHONKANMY-MRXNPFEDSA-N 0 0 329.404 0.988 10 0 ECAERN C[C@H](C1CC1)n1nccc1NC(=O)C(=O)NC[C@H](C)N1CCOCC1 ZINC000191976289 437657569 /nfs/dbraw/zinc/65/75/69/437657569.db2.gz DWGAQGFYTLIDFD-QWHCGFSZSA-N 0 0 349.435 0.630 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)C2=C(C)N(C)c3ncnn3[C@H]2C)CC1 ZINC000192210890 437671267 /nfs/dbraw/zinc/67/12/67/437671267.db2.gz PFQFPURXAOHXHA-UONOGXRCSA-N 0 0 348.451 0.478 10 0 ECAERN O=C(NC1CN(CCS(=O)(=O)c2ccc(F)cc2)C1)C1CC1 ZINC000193002958 437699427 /nfs/dbraw/zinc/69/94/27/437699427.db2.gz YQHKORCGNXTJPS-UHFFFAOYSA-N 0 0 326.393 0.810 10 0 ECAERN C[C@H](C(=O)NC[C@H](O)CN1CCOCC1)n1cnc2ccccc21 ZINC000193130883 437702803 /nfs/dbraw/zinc/70/28/03/437702803.db2.gz SVEUHVUMBIGVDS-KGLIPLIRSA-N 0 0 332.404 0.407 10 0 ECAERN O=C(N[C@@H]1CCCNC1=O)[C@@H]1CCCN(C(=O)NC2CCCC2)C1 ZINC000363304785 437780622 /nfs/dbraw/zinc/78/06/22/437780622.db2.gz KJSOTBHESBSMFL-TZMCWYRMSA-N 0 0 336.436 0.745 10 0 ECAERN CC[C@@H](C(=O)N1CCc2ncnc(N3CCOCC3)c2C1)[NH+](C)C ZINC000370632402 437813924 /nfs/dbraw/zinc/81/39/24/437813924.db2.gz AKRCBAOHSFPERJ-HNNXBMFYSA-N 0 0 333.436 0.538 10 0 ECAERN CC[C@@H]1CN(C(=O)N[C@@H]2CCC(=O)N[C@@H]2[C@@H]2CCCO2)CCO1 ZINC000368205861 438300483 /nfs/dbraw/zinc/30/04/83/438300483.db2.gz RCENVBKRSSRYJS-CXTNEJHOSA-N 0 0 325.409 0.633 10 0 ECAERN C[C@@H](Oc1cccnc1)C(=O)N[C@@H]1CCCN(c2ncc[nH]c2=O)C1 ZINC000352562287 438443278 /nfs/dbraw/zinc/44/32/78/438443278.db2.gz JBXZMICDDKKATB-CHWSQXEVSA-N 0 0 343.387 0.717 10 0 ECAERN CCOC(=O)CN(CC)C[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000382132265 438413542 /nfs/dbraw/zinc/41/35/42/438413542.db2.gz XISJGRDZXXMBIA-LBPRGKRZSA-N 0 0 334.372 0.529 10 0 ECAERN CN1C(=O)C[C@@H](NCC(=O)NCC(F)(F)F)[C@@H]1c1cccnc1 ZINC000583620197 439489353 /nfs/dbraw/zinc/48/93/53/439489353.db2.gz UQRBKPMKWOLHSL-MFKMUULPSA-N 0 0 330.310 0.622 10 0 ECAERN CN(Cc1ccccc1F)C(=O)CN1CCC[C@](O)(c2cn[nH]n2)C1 ZINC000583618032 439489783 /nfs/dbraw/zinc/48/97/83/439489783.db2.gz WJRFBMSFHTVYPQ-QGZVFWFLSA-N 0 0 347.394 0.886 10 0 ECAERN Cc1cccn(CC(=O)N2CC[C@@](O)(c3cn(C(C)C)nn3)C2)c1=O ZINC000583618767 439489898 /nfs/dbraw/zinc/48/98/98/439489898.db2.gz FMAUJEKYTUSTDM-KRWDZBQOSA-N 0 0 345.403 0.449 10 0 ECAERN NC(=O)[C@@]1(O)CCCN(C(=O)c2ncsc2Br)C1 ZINC000584241869 439567502 /nfs/dbraw/zinc/56/75/02/439567502.db2.gz YGCKLIDZWLSECH-SNVBAGLBSA-N 0 0 334.195 0.358 10 0 ECAERN NS(=O)(=O)c1cccc(CCc2ccccn2)c1-c1nn[nH]n1 ZINC000584596484 439603108 /nfs/dbraw/zinc/60/31/08/439603108.db2.gz GUWZWOVRHUORNG-UHFFFAOYSA-N 0 0 330.373 0.694 10 0 ECAERN CNC(=O)C[C@@]1(O)CCCN(Cc2ncnn2-c2ccccc2)C1 ZINC000643818581 440342239 /nfs/dbraw/zinc/34/22/39/440342239.db2.gz QIHLEOLDAYPLOV-KRWDZBQOSA-N 0 0 329.404 0.730 10 0 ECAERN CNC(=O)[C@]1(COC)CCCN1C(=O)Cc1[nH]nc2ccccc21 ZINC000644060138 440433215 /nfs/dbraw/zinc/43/32/15/440433215.db2.gz MICFNDZFXKELRL-QGZVFWFLSA-N 0 0 330.388 0.859 10 0 ECAERN Cn1cc(O[C@@H]2CN(C(=O)Cc3ccc4c(c3)OCO4)C[C@H]2O)cn1 ZINC000628258680 440442752 /nfs/dbraw/zinc/44/27/52/440442752.db2.gz OKPUZBIEPYYOHB-CZUORRHYSA-N 0 0 345.355 0.342 10 0 ECAERN O=C(CN1CCCC[C@@H](O)C1=O)NCc1ccc2c(c1)OCCCO2 ZINC000644344861 440539769 /nfs/dbraw/zinc/53/97/69/440539769.db2.gz SEEAHANVSSANTE-CQSZACIVSA-N 0 0 348.399 0.838 10 0 ECAERN COc1cccc([C@@H]2C[C@@H]2C(=O)NC[C@H](O)CN2CCOCC2)c1 ZINC000128093638 320511726 /nfs/dbraw/zinc/51/17/26/320511726.db2.gz OLUPKSNCZANZEK-XIRDDKMYSA-N 0 0 334.416 0.608 10 0 ECAERN Cc1cc(N2CCC[C@H](NC(=O)NCc3cc[nH]n3)C2=O)n(C)n1 ZINC000174055277 320518568 /nfs/dbraw/zinc/51/85/68/320518568.db2.gz XVPODQGCQBDBGP-LBPRGKRZSA-N 0 0 331.380 0.446 10 0 ECAERN Cc1cc(S(=O)(=O)N2CCC[C@@](O)(C(N)=O)C2)sc1Cl ZINC000284711679 320632824 /nfs/dbraw/zinc/63/28/24/320632824.db2.gz KUHGSHQTQSIIEK-NSHDSACASA-N 0 0 338.838 0.711 10 0 ECAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000317566625 320709695 /nfs/dbraw/zinc/70/96/95/320709695.db2.gz OACCVEACYFFBPN-REWJHTLYSA-N 0 0 330.450 0.420 10 0 ECAERN COc1cccc(CC(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)n1 ZINC000328707709 320728571 /nfs/dbraw/zinc/72/85/71/320728571.db2.gz QDMHSFMCGFGDON-AWEZNQCLSA-N 0 0 347.415 0.730 10 0 ECAERN C[C@@H](C(=O)N(C)CC(=O)N1CCC[C@H](n2cccn2)C1)n1cccn1 ZINC000328714746 320728934 /nfs/dbraw/zinc/72/89/34/320728934.db2.gz SNMPYUCBXSKDJX-GJZGRUSLSA-N 0 0 344.419 0.963 10 0 ECAERN COCCC(=O)N1CCN(C(=O)C[C@H](C)N2CCCCC2=O)CC1 ZINC000328750987 320730850 /nfs/dbraw/zinc/73/08/50/320730850.db2.gz MWIXBCAVWKSCDI-AWEZNQCLSA-N 0 0 339.436 0.485 10 0 ECAERN CN(C[C@@H]1C[C@H](F)CN1CC(N)=O)S(=O)(=O)[C@@H]1CCCOC1 ZINC000328836108 320735269 /nfs/dbraw/zinc/73/52/69/320735269.db2.gz MRNJVEREUXUKSR-SDDRHHMPSA-N 0 0 337.417 0.375 10 0 ECAERN O=C(Cn1ncc(=O)c2ccccc21)N1CCN2C(=O)CC[C@H]2C1 ZINC000328953309 320744440 /nfs/dbraw/zinc/74/44/40/320744440.db2.gz IEJQLRDVOOZVQK-LBPRGKRZSA-N 0 0 326.356 0.230 10 0 ECAERN COC1CCN(C(=O)N2CCC[C@](O)(C(=O)N3CCCC3)C2)CC1 ZINC000328960981 320744794 /nfs/dbraw/zinc/74/47/94/320744794.db2.gz PTPGHDSDADKYSJ-QGZVFWFLSA-N 0 0 339.436 0.667 10 0 ECAERN CC(C)N1C(=O)N[C@@H]2CN(C(=O)c3cnn4ccncc34)CC[C@@H]21 ZINC000329210796 320760271 /nfs/dbraw/zinc/76/02/71/320760271.db2.gz YXEDUPXQPFMMEE-OLZOCXBDSA-N 0 0 328.376 0.950 10 0 ECAERN CC[C@H]1CN(C(=O)c2cnn3ccncc23)C[C@@H]1N1CCOCC1 ZINC000329298570 320765157 /nfs/dbraw/zinc/76/51/57/320765157.db2.gz URNANLQCOPLIDE-BBRMVZONSA-N 0 0 329.404 0.912 10 0 ECAERN CS(=O)(=O)[C@H]1CCCCN(S(=O)(=O)CCN2CCCC2)C1 ZINC000330113964 320805352 /nfs/dbraw/zinc/80/53/52/320805352.db2.gz SMGLMMYYJUJPIX-ZDUSSCGKSA-N 0 0 338.495 0.311 10 0 ECAERN COC1(C)CN(C(=O)[C@@H]2CC[C@@H](C(=O)N3CC(C)(OC)C3)O2)C1 ZINC000330243430 320812341 /nfs/dbraw/zinc/81/23/41/320812341.db2.gz WUXBOYWKMCNRKF-RYUDHWBXSA-N 0 0 326.393 0.029 10 0 ECAERN COCCC(=O)N1CCN(c2ncnc3c2ncn3C2CC2)CC1 ZINC000330347710 320818662 /nfs/dbraw/zinc/81/86/62/320818662.db2.gz HWRXUQQMNYJUFV-UHFFFAOYSA-N 0 0 330.392 0.846 10 0 ECAERN COc1ccc(Cl)cc1C(=O)NC[C@H](O)CN1CCOCC1 ZINC000154137208 533837767 /nfs/dbraw/zinc/83/77/67/533837767.db2.gz WJHSSUYDGNXDNT-LBPRGKRZSA-N 0 0 328.796 0.772 10 0 ECAERN C[C@@H]1CN(C(=O)Nc2nc3ccccn3n2)C[C@H]1N1CCOCC1 ZINC000184428928 534367927 /nfs/dbraw/zinc/36/79/27/534367927.db2.gz FZSXEJMXORLEDW-CHWSQXEVSA-N 0 0 330.392 0.914 10 0 ECAERN FC(F)(F)Cn1nnnc1CN1CCN(Cc2ccon2)CC1 ZINC000190916237 534400989 /nfs/dbraw/zinc/40/09/89/534400989.db2.gz FTGOPLKODYBIBV-UHFFFAOYSA-N 0 0 331.302 0.541 10 0 ECAERN O=C(CN1CCCCC1=O)NCCN1CCc2ccccc2C1=O ZINC000190178083 534525212 /nfs/dbraw/zinc/52/52/12/534525212.db2.gz BJAHYYAHVNSRTF-UHFFFAOYSA-N 0 0 329.400 0.814 10 0 ECAERN O=C(NC[C@H](O)CN1CCOCC1)c1cc2c(s1)CCOC2 ZINC000132316680 534625988 /nfs/dbraw/zinc/62/59/88/534625988.db2.gz GKBCXOKSZGZNIL-LBPRGKRZSA-N 0 0 326.418 0.244 10 0 ECAERN CN1CCO[C@@H](CNC(=O)[C@H]2CC(c3cc(F)ccc3F)=NO2)C1 ZINC000246559220 536435332 /nfs/dbraw/zinc/43/53/32/536435332.db2.gz FFQNAQYHCMFORQ-XHDPSFHLSA-N 0 0 339.342 0.905 10 0 ECAERN CC(=O)NC1CN(C(=O)C(=O)Nc2cc(F)c(F)cc2Cl)C1 ZINC000191343960 526704964 /nfs/dbraw/zinc/70/49/64/526704964.db2.gz ZFNROSPBZISZTR-UHFFFAOYSA-N 0 0 331.706 0.904 10 0 ECAERN CC(=O)NC1CN(C(=O)C(=O)Nc2ccc(-n3cccn3)c(F)c2)C1 ZINC000191346596 526705518 /nfs/dbraw/zinc/70/55/18/526705518.db2.gz ZGSPLUZWRPCNPT-UHFFFAOYSA-N 0 0 345.334 0.297 10 0 ECAERN CC(=O)N[C@@H](CC(=O)N1CC(NC(C)=O)C1)c1ccc(F)cc1F ZINC000191503949 526831692 /nfs/dbraw/zinc/83/16/92/526831692.db2.gz DNBSMCQYRBWQDB-HNNXBMFYSA-N 0 0 339.342 0.879 10 0 ECAERN CC(C)CC(=O)N[C@@H](C(=O)NCCNC(=O)c1ccn[nH]1)C(C)C ZINC000180959444 527666116 /nfs/dbraw/zinc/66/61/16/527666116.db2.gz KRSWZROYRMXSHS-CQSZACIVSA-N 0 0 337.424 0.443 10 0 ECAERN CCN(C)S(=O)(=O)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000178697266 527850558 /nfs/dbraw/zinc/85/05/58/527850558.db2.gz NRQCBGXDRPSCEX-OAHLLOKOSA-N 0 0 327.450 0.534 10 0 ECAERN CC(C)COC[C@H](O)CN1CCN(c2ccc3nncn3n2)CC1 ZINC000171623730 528113381 /nfs/dbraw/zinc/11/33/81/528113381.db2.gz MAKRFTNDBNGYFN-CQSZACIVSA-N 0 0 334.424 0.280 10 0 ECAERN CC(C)[C@H](NC(=O)C(=O)Nc1ccc(Br)nc1)C(N)=O ZINC000189546457 529076373 /nfs/dbraw/zinc/07/63/73/529076373.db2.gz IBEBBFSRELMGTF-VIFPVBQESA-N 0 0 343.181 0.409 10 0 ECAERN CN(C)S(=O)(=O)NC1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000075067307 545687929 /nfs/dbraw/zinc/68/79/29/545687929.db2.gz LBVCJGLMMCFASI-UHFFFAOYSA-N 0 0 347.462 0.236 10 0 ECAERN COCCN1CCN(CC(=O)NC(=O)NCC(F)(F)F)C[C@H]1C ZINC000105832958 545738624 /nfs/dbraw/zinc/73/86/24/545738624.db2.gz PCNBGYRBXIOUTI-SNVBAGLBSA-N 0 0 340.346 0.027 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)NCC1(OC)CCOCC1)CC2 ZINC000122147280 545757103 /nfs/dbraw/zinc/75/71/03/545757103.db2.gz PCZSHWNRGZUUDN-GFCCVEGCSA-N 0 0 337.424 0.650 10 0 ECAERN O=C(Nc1cnn(Cc2ccccn2)c1)C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000178877195 545879955 /nfs/dbraw/zinc/87/99/55/545879955.db2.gz GVSONSPQLVPGDL-CABCVRRESA-N 0 0 343.387 0.685 10 0 ECAERN CN1CCc2ccc(NC(=O)NC[C@@H](O)CN3CCOCC3)cc21 ZINC000180286902 545882958 /nfs/dbraw/zinc/88/29/58/545882958.db2.gz VMNWCPGVHPPNFD-OAHLLOKOSA-N 0 0 334.420 0.494 10 0 ECAERN CCn1cc(O[C@@H]2CN(c3ncnc4c3cnn4C)C[C@H]2O)cn1 ZINC000624420374 546922686 /nfs/dbraw/zinc/92/26/86/546922686.db2.gz ZDVHIXFZJMLQOR-CHWSQXEVSA-N 0 0 329.364 0.208 10 0 ECAERN CC(C)COc1cncc(N2C[C@@H](O)[C@H](Oc3cnn(C)c3)C2)n1 ZINC000624423142 546923799 /nfs/dbraw/zinc/92/37/99/546923799.db2.gz XPWQFARJYHTMKY-ZIAGYGMSSA-N 0 0 333.392 0.873 10 0 ECAERN CCn1cc(O[C@@H]2CN(c3cc(NC4CC4)ncn3)C[C@H]2O)cn1 ZINC000624421489 546923913 /nfs/dbraw/zinc/92/39/13/546923913.db2.gz SSXGKYXEEWBEOX-ZIAGYGMSSA-N 0 0 330.392 0.896 10 0 ECAERN Cc1cccc(S(=O)(=O)N2C[C@@H](O)[C@H](Oc3cnn(C)c3)C2)c1 ZINC000625315527 547068257 /nfs/dbraw/zinc/06/82/57/547068257.db2.gz UDCYCZAFEZBOMT-HUUCEWRRSA-N 0 0 337.401 0.541 10 0 ECAERN O=S(=O)(N[C@H]1CCOC[C@H]1O)c1ccccc1Br ZINC000625591385 547159753 /nfs/dbraw/zinc/15/97/53/547159753.db2.gz MXASTODSDJPCMQ-VHSXEESVSA-N 0 0 336.207 0.877 10 0 ECAERN C[C@@H](C(=O)N1CCOC[C@@]12CCOC2)N1C(=O)c2ccccc2C1=O ZINC000669459360 547892466 /nfs/dbraw/zinc/89/24/66/547892466.db2.gz HOWUVLTXXCHQAX-SGTLLEGYSA-N 0 0 344.367 0.689 10 0 ECAERN COc1ccc(CCC(=O)N2CC[C@@](O)(Cn3ccnn3)C2)cc1 ZINC000671498670 548162476 /nfs/dbraw/zinc/16/24/76/548162476.db2.gz WFLWKDBLRSXAKZ-KRWDZBQOSA-N 0 0 330.388 0.883 10 0 ECAERN Cc1cccc(CNC(=O)CN2CCC[C@](O)(c3cn[nH]n3)C2)c1 ZINC000794051007 578570540 /nfs/dbraw/zinc/57/05/40/578570540.db2.gz TWTXOYQEMOIKME-QGZVFWFLSA-N 0 0 329.404 0.713 10 0 ECAERN Cc1noc([C@@H]2COCCN2C2CN(C(=O)c3ccccn3)C2)n1 ZINC000888094682 586349171 /nfs/dbraw/zinc/34/91/71/586349171.db2.gz AUBBYTUJGLXPSU-AWEZNQCLSA-N 0 0 329.360 0.671 10 0 ECAERN CNC(=O)[C@@H]1CC(=O)N(C2CN(Cc3ccnn3CC3CC3)C2)C1 ZINC000888099091 586350168 /nfs/dbraw/zinc/35/01/68/586350168.db2.gz RLVOBQVCCMTUBR-CYBMUJFWSA-N 0 0 331.420 0.072 10 0 ECAERN COCCn1cc(C(=O)N2C[C@H](OC)C[C@H]2c2nc(C)c(C)[nH]2)nn1 ZINC000888103130 586350622 /nfs/dbraw/zinc/35/06/22/586350622.db2.gz IYGZCTIOEHIRDA-OCCSQVGLSA-N 0 0 348.407 0.867 10 0 ECAERN CC[C@@H]1CN(C(=O)c2cn([C@@H]3CC[C@H]3O)nn2)CCN1CCOC ZINC000900745211 586662242 /nfs/dbraw/zinc/66/22/42/586662242.db2.gz JHDLEYORESISPM-BPLDGKMQSA-N 0 0 337.424 0.157 10 0 ECAERN CNc1cc(N2CCC[C@H]2CNC(=O)c2cnc(C)n2C)ncn1 ZINC000900881912 586672264 /nfs/dbraw/zinc/67/22/64/586672264.db2.gz VIRQPHZCXUJPKL-LBPRGKRZSA-N 0 0 329.408 0.959 10 0 ECAERN Cn1ccnc(N2CCC[C@@](O)(Cc3nc(C4CC4)no3)C2)c1=O ZINC000818144872 587408476 /nfs/dbraw/zinc/40/84/76/587408476.db2.gz IUNXBKYRJJGAOJ-MRXNPFEDSA-N 0 0 331.376 0.615 10 0 ECAERN CCN1CCO[C@@H](CNc2ccnc(C(N)=O)c2)[C@@H]1c1cnn(C)c1 ZINC000853821741 589560842 /nfs/dbraw/zinc/56/08/42/589560842.db2.gz FHNUKHIHZRCCSM-HOTGVXAUSA-N 0 0 344.419 0.210 10 0 ECAERN Cc1cnn(C[C@H]2CN(Cn3nc4ccccn4c3=O)CCO2)c1 ZINC000112071529 589576822 /nfs/dbraw/zinc/57/68/22/589576822.db2.gz GAYBGAPXVDYECX-CQSZACIVSA-N 0 0 328.376 0.359 10 0 ECAERN Cc1noc([C@@H]2CC(=O)N(C3CN(C(=O)C4(O)CCCCC4)C3)C2)n1 ZINC000864680268 590093229 /nfs/dbraw/zinc/09/32/29/590093229.db2.gz KJXMSJAWAOHQQV-GFCCVEGCSA-N 0 0 348.403 0.600 10 0 ECAERN Cc1nccn1CC(=O)N1CC[C@@H](c2cc(=O)[nH]c(N(C)C)n2)C1 ZINC000864835838 590108817 /nfs/dbraw/zinc/10/88/17/590108817.db2.gz OXIJGROAOCIAPI-GFCCVEGCSA-N 0 0 330.392 0.769 10 0 ECAERN C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCCn1cccn1 ZINC000125202957 590258689 /nfs/dbraw/zinc/25/86/89/590258689.db2.gz VPFDRSAHSQWCAX-LLVKDONJSA-N 0 0 347.400 0.127 10 0 ECAERN O=C(c1cc(Cl)ncc1Cl)N1CC[C@@]2(C1)NC(=O)NC2=O ZINC000129383567 590506381 /nfs/dbraw/zinc/50/63/81/590506381.db2.gz KZOKGBLZDCJTAE-LBPRGKRZSA-N 0 0 329.143 0.813 10 0 ECAERN Cc1nc(C[C@@H]2CCCN(Cn3nnc4c(cnn4C)c3=O)C2)no1 ZINC000132568949 590652434 /nfs/dbraw/zinc/65/24/34/590652434.db2.gz FNPBUXLYJBNDEE-NSHDSACASA-N 0 0 344.379 0.129 10 0 ECAERN O=C1C(=O)N(CN2CCO[C@@H](Cn3cccn3)C2)c2c1cccc2F ZINC000132660162 590655666 /nfs/dbraw/zinc/65/56/66/590655666.db2.gz YWHQMGRBNOWGON-GFCCVEGCSA-N 0 0 344.346 0.910 10 0 ECAERN CCN1CCO[C@@H](CNC(=O)Cc2ccon2)[C@@H]1c1nccn1C ZINC000886027281 590787076 /nfs/dbraw/zinc/78/70/76/590787076.db2.gz RPAISKPVPWGFOJ-DZGCQCFKSA-N 0 0 333.392 0.529 10 0 ECAERN Cc1nnc2ccc(N3CCN(C(=O)[C@H]4CCCOCC4)CC3)nn12 ZINC000886068597 590789970 /nfs/dbraw/zinc/78/99/70/590789970.db2.gz PIFWRBOHYJHBEW-AWEZNQCLSA-N 0 0 344.419 0.898 10 0 ECAERN Cc1cnn(C)c1S(=O)(=O)N[C@H]1CCO[C@@H]1c1cnn(C)c1 ZINC000886065997 590790146 /nfs/dbraw/zinc/79/01/46/590790146.db2.gz DZAUNZRIFIKOJS-NWDGAFQWSA-N 0 0 325.394 0.271 10 0 ECAERN NC(=O)[C@@]1(N2CCN(C(=O)CC3CC(F)(F)C3)CC2)CCOC1 ZINC000886077633 590791933 /nfs/dbraw/zinc/79/19/33/590791933.db2.gz MSSISQWKANSYOA-CQSZACIVSA-N 0 0 331.363 0.210 10 0 ECAERN O=C(CN1CCCC[C@H](O)C1=O)N1CC(COc2ccccc2)C1 ZINC000886078095 590791971 /nfs/dbraw/zinc/79/19/71/590791971.db2.gz LOKMNIRXHKFDOL-INIZCTEOSA-N 0 0 332.400 0.897 10 0 ECAERN CNC(=O)c1ccc(NC[C@@H]2OCCN(C)[C@H]2c2ccnn2C)nn1 ZINC000886080437 590792377 /nfs/dbraw/zinc/79/23/77/590792377.db2.gz YDFCOOPEEZSUGN-ZFWWWQNUSA-N 0 0 345.407 0.054 10 0 ECAERN CCOC1CC(O)(CNC(=O)CN2CCCC[C@H](OC)C2=O)C1 ZINC000886088575 590793666 /nfs/dbraw/zinc/79/36/66/590793666.db2.gz JYQJCZGIUYNCTE-UYJPIKCFSA-N 0 0 328.409 0.060 10 0 ECAERN CC(C)c1cc(C(=O)N2CCC[C@](O)(Cc3nncn3C)C2)[nH]n1 ZINC000886095456 590794492 /nfs/dbraw/zinc/79/44/92/590794492.db2.gz XAQQSBSTMXPETK-INIZCTEOSA-N 0 0 332.408 0.871 10 0 ECAERN Cc1nonc1CN1CCN(C(=O)c2cc(C)nc(N(C)C)n2)CC1 ZINC000222309829 609022539 /nfs/dbraw/zinc/02/25/39/609022539.db2.gz AKVRURNGMGVEPG-UHFFFAOYSA-N 0 0 345.407 0.500 10 0 ECAERN C[C@@H]1NC(=O)CC[C@@H]1NC(=O)c1cccn1CCN1CCOCC1 ZINC000908004374 609635396 /nfs/dbraw/zinc/63/53/96/609635396.db2.gz RWNHPMZJHFHNDC-KBPBESRZSA-N 0 0 334.420 0.217 10 0 ECAERN O=C(N[C@@H]1C[C@H](O)[C@@H]1n1cccn1)[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC000909159307 609679133 /nfs/dbraw/zinc/67/91/33/609679133.db2.gz LMARSUSGIVHYLL-APIJFGDWSA-N 0 0 332.404 0.322 10 0 ECAERN Cc1noc(-c2cnc(C)n(CCC(=O)N3CCC(O)CC3)c2=O)n1 ZINC000222852940 609705208 /nfs/dbraw/zinc/70/52/08/609705208.db2.gz NTWZCKNANPBKPL-UHFFFAOYSA-N 0 0 347.375 0.284 10 0 ECAERN COC(=O)C1CCN(C(=O)CCn2ncc3c2c(C)nn3C)CC1 ZINC000223863579 609715339 /nfs/dbraw/zinc/71/53/39/609715339.db2.gz ODFYUUJOWJUUCS-UHFFFAOYSA-N 0 0 333.392 0.880 10 0 ECAERN CC[C@@H](C)[C@@H]1Nc2ncnc(NCC(=O)N3CCOCC3)c2NC1=O ZINC000224000490 609716598 /nfs/dbraw/zinc/71/65/98/609716598.db2.gz SUOLYFYIUUPIPP-PWSUYJOCSA-N 0 0 348.407 0.526 10 0 ECAERN O=S(=O)(c1c(Cl)nc2ccccn21)N1CCOC[C@H]1CO ZINC000168070210 609735872 /nfs/dbraw/zinc/73/58/72/609735872.db2.gz AMMQSNMSRXGPMN-SECBINFHSA-N 0 0 331.781 0.370 10 0 ECAERN O=C(c1cc[nH]n1)N1C[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@@H]2C1 ZINC000169792357 609747572 /nfs/dbraw/zinc/74/75/72/609747572.db2.gz RBEBWQLMHNYMOT-OKILXGFUSA-N 0 0 338.367 0.709 10 0 ECAERN COC(=O)N1CCN(C(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)CC1 ZINC000169902850 609748650 /nfs/dbraw/zinc/74/86/50/609748650.db2.gz GTBSUMMVZVYURM-NSHDSACASA-N 0 0 345.355 0.582 10 0 ECAERN CCNC(=O)[C@@H]1C[C@H](NC(=O)CO)CN1C/C=C\c1ccc(F)cc1 ZINC000229949423 609763612 /nfs/dbraw/zinc/76/36/12/609763612.db2.gz CYNKSYNIPOZOJD-HFZJXRFXSA-N 0 0 349.406 0.526 10 0 ECAERN COCC[N@@H+]1CCN(CN2C(=O)N[C@](C)(C(C)C)C2=O)C[C@H]1C ZINC000151505086 609791671 /nfs/dbraw/zinc/79/16/71/609791671.db2.gz NPAYRQUTPNTCBS-CZUORRHYSA-N 0 0 326.441 0.563 10 0 ECAERN Cc1cc(C)n(C[C@@H]2CN(CN3CC(=O)N(C(C)C)C3=O)CCO2)n1 ZINC000152868067 609884477 /nfs/dbraw/zinc/88/44/77/609884477.db2.gz MPQPIQYWNJORKX-HNNXBMFYSA-N 0 0 349.435 0.831 10 0 ECAERN O=C(CN1CSCCSC1)N[C@H]1C[C@@H](O)[C@@H]1n1cccn1 ZINC000912072716 609932714 /nfs/dbraw/zinc/93/27/14/609932714.db2.gz SBROWCNPEWLOLX-DMDPSCGWSA-N 0 0 328.463 0.371 10 0 ECAERN O=C(COc1ccc(N2CCCC2=O)cc1)N1CCOC[C@H]1CO ZINC000912428752 609955262 /nfs/dbraw/zinc/95/52/62/609955262.db2.gz WOYICMBFAIJDRL-CQSZACIVSA-N 0 0 334.372 0.412 10 0 ECAERN CCCn1cc(NC(=O)C(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)cn1 ZINC000180249206 610004335 /nfs/dbraw/zinc/00/43/35/610004335.db2.gz PDNBBNQJESMUTO-DZGCQCFKSA-N 0 0 349.435 0.411 10 0 ECAERN COc1cc(C)ccc1OCCN1C[C@@]2(C(=O)[O-])C[NH2+]C[C@H]2C1=O ZINC000072426298 610945398 /nfs/dbraw/zinc/94/53/98/610945398.db2.gz JTRGMFWWSBIEBH-SJCJKPOMSA-N 0 0 334.372 0.515 10 0 ECAERN C[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)OCc1nccn1C ZINC000091108923 611293761 /nfs/dbraw/zinc/29/37/61/611293761.db2.gz REBCJZAFLBIGGS-SNVBAGLBSA-N 0 0 341.364 0.969 10 0 ECAERN CC1(C)CCN(CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)CCS1(=O)=O ZINC000193385173 612240459 /nfs/dbraw/zinc/24/04/59/612240459.db2.gz GMOZPHQLZNZWRP-STQMWFEESA-N 0 0 340.445 0.794 10 0 ECAERN Cc1csc2nc(CN3C[C@@H]4CCS(=O)(=O)[C@@H]4C3)cc(=O)n12 ZINC000329169147 740441396 /nfs/dbraw/zinc/44/13/96/740441396.db2.gz JKHZEIQVTLTMDF-CMPLNLGQSA-N 0 0 339.442 0.683 10 0 ECAERN [NH3+][C@@H](COCC(=O)[O-])c1cc2[nH]c(=O)[nH]c2cc1Br ZINC000052094751 214116883 /nfs/dbraw/zinc/11/68/83/214116883.db2.gz KBPLWRIQAGFEKF-ZETCQYMHSA-N 0 0 330.138 0.720 10 0 ECAERN C[C@H]1CN(C(=O)CNC(=O)c2cccs2)C[C@@H]1N1CCOCC1 ZINC000173960602 231082372 /nfs/dbraw/zinc/08/23/72/231082372.db2.gz MDOIFUBFIFUDHE-STQMWFEESA-N 0 0 337.445 0.657 10 0 ECAERN CCn1cc(C(=O)N[C@H]2CCCN(c3cc(C)nn3C)C2=O)cn1 ZINC000174986429 231360204 /nfs/dbraw/zinc/36/02/04/231360204.db2.gz MSALUXSCMZDSBO-ZDUSSCGKSA-N 0 0 330.392 0.870 10 0 ECAERN CCc1ccc(C(=O)N[C@@H]2CCc3ncnn3C2)cc1S(C)(=O)=O ZINC000154225932 529607355 /nfs/dbraw/zinc/60/73/55/529607355.db2.gz DAAPZEOCDMKVQY-CYBMUJFWSA-N 0 0 348.428 0.989 10 0 ECAERN O=C(CCc1ccccc1)N1CCCN(C(=O)[C@H]2CNC(=O)C2)CC1 ZINC000176274939 231613216 /nfs/dbraw/zinc/61/32/16/231613216.db2.gz UAHDRUHWLPMRLF-MRXNPFEDSA-N 0 0 343.427 0.816 10 0 ECAERN C[C@@H](NC(=O)/C=C/c1ccco1)C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-] ZINC000004544665 210219705 /nfs/dbraw/zinc/21/97/05/210219705.db2.gz BZUABSYGNBFITP-HOVLTTNMSA-N 0 0 337.376 0.496 10 0 ECAERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1cccc(-n2ccnc2)c1 ZINC000166876219 529901541 /nfs/dbraw/zinc/90/15/41/529901541.db2.gz QUFCNEZCGYDIKZ-AWEZNQCLSA-N 0 0 341.371 0.548 10 0 ECAERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1c(F)cc(F)cc1F ZINC000187314838 529901615 /nfs/dbraw/zinc/90/16/15/529901615.db2.gz RKNVAUNCCOUYTD-JTQLQIEISA-N 0 0 329.278 0.779 10 0 ECAERN CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1cnc2ccccc2c1 ZINC000166744679 529923053 /nfs/dbraw/zinc/92/30/53/529923053.db2.gz UYNVXMKGSHPHTL-CQSZACIVSA-N 0 0 326.356 0.910 10 0 ECAERN CCn1c2nnc(CSC[C@H](O)CO)n2c2ccccc2c1=O ZINC000177441877 231895882 /nfs/dbraw/zinc/89/58/82/231895882.db2.gz XSEGJSAEUDKVJZ-SNVBAGLBSA-N 0 0 334.401 0.651 10 0 ECAERN COCCn1ccc(NC(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)n1 ZINC000177822290 232003384 /nfs/dbraw/zinc/00/33/84/232003384.db2.gz HMESMOOEIPVYJY-KBPBESRZSA-N 0 0 337.424 0.714 10 0 ECAERN CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000004035727 210105757 /nfs/dbraw/zinc/10/57/57/210105757.db2.gz NESVZBRJBHIGEY-CHWSQXEVSA-N 0 0 346.449 0.460 10 0 ECAERN C[N@@H+]1CCN(C(=O)c2[nH]nc(N)c2-c2ccccc2)C[C@@H]1C(=O)[O-] ZINC000067851265 215231658 /nfs/dbraw/zinc/23/16/58/215231658.db2.gz PKFRMVJTCZEHQZ-LLVKDONJSA-N 0 0 329.360 0.500 10 0 ECAERN Cn1nccc1C1CCN(C(=O)NCCNC(=O)c2ccn[nH]2)CC1 ZINC000181869994 234361401 /nfs/dbraw/zinc/36/14/01/234361401.db2.gz VAXMWKIGZGZWFE-UHFFFAOYSA-N 0 0 345.407 0.462 10 0 ECAERN O=C(CNC(=O)N1CCN(c2ccccc2O)CC1)NCC1CC1 ZINC000183781476 235223739 /nfs/dbraw/zinc/22/37/39/235223739.db2.gz GKRXWBUKYYZHGR-UHFFFAOYSA-N 0 0 332.404 0.750 10 0 ECAERN COCC(=O)NC1CN(C(=O)CCc2nnc(-c3ccccc3)o2)C1 ZINC000185273961 235631131 /nfs/dbraw/zinc/63/11/31/235631131.db2.gz DQQKASAAZRRRFE-UHFFFAOYSA-N 0 0 344.371 0.643 10 0 ECAERN CCCCS(=O)(=O)NCCc1ccc(S(N)(=O)=O)s1 ZINC000037011193 213129469 /nfs/dbraw/zinc/12/94/69/213129469.db2.gz IFIUYRTZAHXZBL-UHFFFAOYSA-N 0 0 326.465 0.658 10 0 ECAERN CCOC(=O)c1ccc(N2C(=O)C[C@@H](N3C(=O)CCC3=O)C2=O)cc1 ZINC000033864936 212965970 /nfs/dbraw/zinc/96/59/70/212965970.db2.gz OMLNQFAXKSKNTE-GFCCVEGCSA-N 0 0 344.323 0.644 10 0 ECAERN CC(C)[C@H](NC(=O)c1cc(S(C)(=O)=O)ccc1Cl)C(N)=O ZINC000107187046 219750434 /nfs/dbraw/zinc/75/04/34/219750434.db2.gz OBLYAMHANAJHCZ-NSHDSACASA-N 0 0 332.809 0.983 10 0 ECAERN COc1ccc([C@H]2C[C@@H](O)[C@@H](O)[C@@H]2NC(=O)c2cncnc2)cc1 ZINC000072321560 216149965 /nfs/dbraw/zinc/14/99/65/216149965.db2.gz XLIWSHSSQNLFCM-KLHDSHLOSA-N 0 0 329.356 0.493 10 0 ECAERN CCSc1n[nH]c(-n2ccc3c(c(C)nc4ncnn43)c2=O)n1 ZINC000072449406 216239160 /nfs/dbraw/zinc/23/91/60/216239160.db2.gz FOUBHHVYIVRPOP-UHFFFAOYSA-N 0 0 328.361 0.967 10 0 ECAERN O=C(Nc1ccc2c(c1)S(=O)(=O)CC2)N[C@@H]1CCc2ncnn2C1 ZINC000190299234 238370207 /nfs/dbraw/zinc/37/02/07/238370207.db2.gz QYDDUPXKALWRFX-GFCCVEGCSA-N 0 0 347.400 0.744 10 0 ECAERN O=C(CN1CCN(Cc2ccc3c(c2)OCO3)CC1)N1CCOCC1 ZINC000019824034 212073108 /nfs/dbraw/zinc/07/31/08/212073108.db2.gz DOOWRFHTQKUWQN-UHFFFAOYSA-N 0 0 347.415 0.392 10 0 ECAERN Cn1c(=O)oc2cc(NC(=O)C(=O)NC[C@@H]3CCCC[C@H]3O)ccc21 ZINC000077938857 217003906 /nfs/dbraw/zinc/00/39/06/217003906.db2.gz LNAOTAUANOTNAV-GXFFZTMASA-N 0 0 347.371 0.737 10 0 ECAERN C[C@H](Oc1ccccc1)C(=O)N1CCO[C@H](C[N@H+](C)CC(=O)[O-])C1 ZINC000263012972 245296108 /nfs/dbraw/zinc/29/61/08/245296108.db2.gz YVDOJPRSEZHAQA-DZGCQCFKSA-N 0 0 336.388 0.698 10 0 ECAERN COC(=O)[C@H](C)NS(=O)(=O)c1ccc(Br)cc1N ZINC000049351907 214002352 /nfs/dbraw/zinc/00/23/52/214002352.db2.gz WEWPBWSGVMOIBK-LURJTMIESA-N 0 0 337.195 0.871 10 0 ECAERN Cc1cc(C)n(C[C@H]2CN(C(=O)C(=O)Nc3cc(C)on3)CCO2)n1 ZINC000110903142 220077419 /nfs/dbraw/zinc/07/74/19/220077419.db2.gz CJAPUKZUKYIXHX-CYBMUJFWSA-N 0 0 347.375 0.662 10 0 ECAERN COC(=O)CNC(=O)CCN1CCN(Cc2cnc(C)s2)CC1 ZINC000111227600 220115542 /nfs/dbraw/zinc/11/55/42/220115542.db2.gz NWSDXBFOFRRPEX-UHFFFAOYSA-N 0 0 340.449 0.248 10 0 ECAERN Cc1ccc(C(=O)NCCNC(=O)NC[C@H]2CN(C)CCO2)cc1 ZINC000111493315 220161696 /nfs/dbraw/zinc/16/16/96/220161696.db2.gz LIIUGPCNDCCYQJ-HNNXBMFYSA-N 0 0 334.420 0.355 10 0 ECAERN NC(=O)c1ccc(CNC(=O)N2CCO[C@H](Cn3cccn3)C2)cc1 ZINC000111823414 220200751 /nfs/dbraw/zinc/20/07/51/220200751.db2.gz SGTNEJMHZKDTQZ-HNNXBMFYSA-N 0 0 343.387 0.593 10 0 ECAERN O=C(NCCNC(=O)N1CCO[C@H](Cn2cccn2)C1)c1ccco1 ZINC000111812591 220196754 /nfs/dbraw/zinc/19/67/54/220196754.db2.gz OHRYHSFKUMMVQS-ZDUSSCGKSA-N 0 0 347.375 0.317 10 0 ECAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000081580612 217421782 /nfs/dbraw/zinc/42/17/82/217421782.db2.gz OWHKPNLDZOZPFH-VHSXEESVSA-N 0 0 345.325 0.948 10 0 ECAERN COCCCNC(=O)c1ccc(N2C(=O)[C@H](C)CS2(=O)=O)cc1 ZINC000012021038 211279599 /nfs/dbraw/zinc/27/95/99/211279599.db2.gz QYALCSHXHAPSGA-LLVKDONJSA-N 0 0 340.401 0.765 10 0 ECAERN NC(=O)[C@H]1COCCN1C(=O)CCc1ccc(OC(F)F)cc1 ZINC000091779215 218064263 /nfs/dbraw/zinc/06/42/63/218064263.db2.gz HPCZTFMHQDKQCQ-GFCCVEGCSA-N 0 0 328.315 0.933 10 0 ECAERN Cc1oc(-c2cccs2)nc1CC(=O)N1CCOC[C@@H]1C(N)=O ZINC000091782163 218065387 /nfs/dbraw/zinc/06/53/87/218065387.db2.gz IVBOMRZEIWOJKB-LLVKDONJSA-N 0 0 335.385 0.967 10 0 ECAERN CNC(=O)c1ccc(CN(C)C(=O)N[C@@H](C(=O)NC)C(C)C)cc1 ZINC000178395179 207684702 /nfs/dbraw/zinc/68/47/02/207684702.db2.gz DQBKTGDMYLKLOI-CQSZACIVSA-N 0 0 334.420 0.958 10 0 ECAERN CNc1cc(N2CCC[C@H]2CNC(=O)N[C@@H](C)CCCO)ncn1 ZINC000130804424 533051226 /nfs/dbraw/zinc/05/12/26/533051226.db2.gz ZBWRXISFXQWNSJ-STQMWFEESA-N 0 0 336.440 0.947 10 0 ECAERN Cc1ccc(C(=O)CCC(=O)NC[C@H](O)CN2CCOCC2)cc1 ZINC000154128909 224208680 /nfs/dbraw/zinc/20/86/80/224208680.db2.gz QZEDLZMFAZXVIX-INIZCTEOSA-N 0 0 334.416 0.767 10 0 ECAERN COCCN1CCN(C(=O)CCNC(=O)Cc2ccccc2)C[C@H]1C ZINC000117284807 221044191 /nfs/dbraw/zinc/04/41/91/221044191.db2.gz GKKKNYUHEVWGOH-MRXNPFEDSA-N 0 0 347.459 0.915 10 0 ECAERN CCn1cc(CN2CCCN(S(=O)(=O)[C@@H](C)COC)CC2)cn1 ZINC000117922912 221100292 /nfs/dbraw/zinc/10/02/92/221100292.db2.gz SZVIJSHTPAAVRJ-AWEZNQCLSA-N 0 0 344.481 0.775 10 0 ECAERN CCS(=O)(=O)CCN1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000118398058 221145591 /nfs/dbraw/zinc/14/55/91/221145591.db2.gz FLSMEFWDTDVKBK-MRXNPFEDSA-N 0 0 326.462 0.772 10 0 ECAERN Cc1cc(C)n2nc(CC(=O)N3CCOC4(CCOCC4)C3)nc2n1 ZINC000119680539 221374743 /nfs/dbraw/zinc/37/47/43/221374743.db2.gz NLJVVNOTBCRCCD-UHFFFAOYSA-N 0 0 345.403 0.692 10 0 ECAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)c1ccc2c(c1)nnn2C ZINC000155138228 224365122 /nfs/dbraw/zinc/36/51/22/224365122.db2.gz LEJLGBAQJSKCNL-NSHDSACASA-N 0 0 341.375 0.971 10 0 ECAERN Cc1cncc(O[C@H]2CCOC3(CN(C(=O)c4cnn(C)c4)C3)C2)n1 ZINC000248123752 257663452 /nfs/dbraw/zinc/66/34/52/257663452.db2.gz KXCKYLQFPYVEBG-AWEZNQCLSA-N 0 0 343.387 0.971 10 0 ECAERN Cn1cnc(S(=O)(=O)N2CC[C@@H]3[C@@H]2CC(=O)N3c2cccnc2)c1 ZINC000248072016 257666251 /nfs/dbraw/zinc/66/62/51/257666251.db2.gz XVWAFDDXJBCBJG-OLZOCXBDSA-N 0 0 347.400 0.384 10 0 ECAERN CCOC(=O)[C@]12CN(C(C)=O)C[C@H]1CN(S(C)(=O)=O)CCC2 ZINC000247903377 257673856 /nfs/dbraw/zinc/67/38/56/257673856.db2.gz BLUWEOYBRHORRL-GXTWGEPZSA-N 0 0 332.422 0.070 10 0 ECAERN O=S(=O)(NC[C@@H]1CO[C@H]2CN(c3ncc(F)cn3)C[C@@H]12)C1CC1 ZINC000245482547 257682917 /nfs/dbraw/zinc/68/29/17/257682917.db2.gz QETSZTCQKSYWPF-ICCXJUOJSA-N 0 0 342.396 0.149 10 0 ECAERN CC(=O)NCC(=O)N1CC[C@@H]2O[C@@H](COCc3ccncc3)CC[C@@H]21 ZINC000096064808 257698736 /nfs/dbraw/zinc/69/87/36/257698736.db2.gz NGWBFJUCSZJRKJ-IKGGRYGDSA-N 0 0 347.415 0.883 10 0 ECAERN C[C@H](O)CNS(=O)(=O)C[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000521396660 257947063 /nfs/dbraw/zinc/94/70/63/257947063.db2.gz CDBCDKSZIYJEIW-KBPBESRZSA-N 0 0 340.445 0.839 10 0 ECAERN C[C@@H](O)CN1CCN(C(=O)C(=O)NCCCc2ccccc2)C[C@@H]1C ZINC000174334092 533668956 /nfs/dbraw/zinc/66/89/56/533668956.db2.gz PHOTZTDGVJBADH-JKSUJKDBSA-N 0 0 347.459 0.649 10 0 ECAERN C[C@H](NC(=O)N[C@@H]1CCc2ncnn2C1)[C@H](O)Cc1ccccc1 ZINC000122390252 296649487 /nfs/dbraw/zinc/64/94/87/296649487.db2.gz YAXYLOVPHLMLNY-NWANDNLSSA-N 0 0 329.404 0.884 10 0 ECAERN COCCOc1cccc(CC(=O)N[C@H]2CCc3ncnn3C2)c1 ZINC000123220180 296650666 /nfs/dbraw/zinc/65/06/66/296650666.db2.gz GQOPJKYHJLEHRY-AWEZNQCLSA-N 0 0 330.388 0.977 10 0 ECAERN NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000067509048 164577863 /nfs/dbraw/zinc/57/78/63/164577863.db2.gz MOSYUNKQSFHQMR-RZYZSWTKSA-N 0 0 333.432 0.795 10 0 ECAERN C[C@@H](NC(N)=O)C(=O)N1CCCN(C(=O)c2ccccc2F)CC1 ZINC000097681619 164653307 /nfs/dbraw/zinc/65/33/07/164653307.db2.gz IQFRRYJNJRGYDF-LLVKDONJSA-N 0 0 336.367 0.557 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)CCCCN1CCOCC1)CC2 ZINC000172258697 164840884 /nfs/dbraw/zinc/84/08/84/164840884.db2.gz UGZLBWQDBXGFAO-AWEZNQCLSA-N 0 0 335.452 0.774 10 0 ECAERN CCS(=O)(=O)c1ccccc1C(=O)N[C@@H](C(=O)NC)C(C)C ZINC000178843560 164921521 /nfs/dbraw/zinc/92/15/21/164921521.db2.gz CCLRVLBQNHXWLQ-CYBMUJFWSA-N 0 0 326.418 0.981 10 0 ECAERN C[C@@H]1C(=O)NCCCN1C(=O)CCc1nc(-c2ccccn2)no1 ZINC000188857046 165003171 /nfs/dbraw/zinc/00/31/71/165003171.db2.gz LBLLZSKMYIXCSI-LLVKDONJSA-N 0 0 329.360 0.801 10 0 ECAERN CC(=O)N[C@H](CC(=O)N1CC(NC(=O)C2CC2)C1)c1ccccc1 ZINC000189454465 165011493 /nfs/dbraw/zinc/01/14/93/165011493.db2.gz WXLNJAMGUHKOHU-MRXNPFEDSA-N 0 0 329.400 0.991 10 0 ECAERN CCc1nnc([C@H]2CN(C(=O)NCCOCC(F)F)CCO2)[nH]1 ZINC000190272132 165019583 /nfs/dbraw/zinc/01/95/83/165019583.db2.gz QELHUOMOCXNFOO-SECBINFHSA-N 0 0 333.339 0.732 10 0 ECAERN C[C@H](C1CC1)n1cc(NC(=O)C(=O)N2CCCNC(=O)[C@@H]2C)cn1 ZINC000190664610 165023423 /nfs/dbraw/zinc/02/34/23/165023423.db2.gz SSGDKXWDULPZNT-MNOVXSKESA-N 0 0 333.392 0.530 10 0 ECAERN C[C@H]1C(=O)NCCCN1C(=O)C(=O)Nc1cnn(-c2ccccc2)c1 ZINC000190665168 165023934 /nfs/dbraw/zinc/02/39/34/165023934.db2.gz VGPQRTQKOFQJJI-LBPRGKRZSA-N 0 0 341.371 0.548 10 0 ECAERN CCn1c(C)nnc1CN1CCCN(CC(=O)N2CCCC2)CC1 ZINC000195058237 165073743 /nfs/dbraw/zinc/07/37/43/165073743.db2.gz CUEBTSUHJMYGNS-UHFFFAOYSA-N 0 0 334.468 0.737 10 0 ECAERN CC(C)n1nnnc1CS(=O)(=O)CC(=O)NC1CCC(C)CC1 ZINC000195429218 165081735 /nfs/dbraw/zinc/08/17/35/165081735.db2.gz QSDWGKBBAJDITD-UHFFFAOYSA-N 0 0 343.453 0.864 10 0 ECAERN CCn1cc(C2CCN(CC(=O)N[C@H](C)C(=O)N(C)C)CC2)cn1 ZINC000195501048 165084294 /nfs/dbraw/zinc/08/42/94/165084294.db2.gz HAGVNUPBMRHGEM-CYBMUJFWSA-N 0 0 335.452 0.675 10 0 ECAERN C[C@H]1CN(Cc2nnnn2-c2ccccc2)C[C@H]1N1CCOCC1 ZINC000246291306 165128100 /nfs/dbraw/zinc/12/81/00/165128100.db2.gz AZFZVSBYYRORKQ-GOEBONIOSA-N 0 0 328.420 0.815 10 0 ECAERN CC[C@H](C)[C@@H](O)CNC(=O)N[C@H]1CCCn2nc(COC)nc21 ZINC000246290491 165128886 /nfs/dbraw/zinc/12/88/86/165128886.db2.gz AUTZBVLMQZNCCN-SRVKXCTJSA-N 0 0 325.413 0.966 10 0 ECAERN C[C@H]1CN(S(=O)(=O)N2CCCCCC2)C[C@H]1N1CCOCC1 ZINC000246615644 165140094 /nfs/dbraw/zinc/14/00/94/165140094.db2.gz XIOYIUTVGWUWQQ-LSDHHAIUSA-N 0 0 331.482 0.760 10 0 ECAERN C[C@@H]1CN(c2cc(N3CCC[C@@H]3CO)ncn2)C[C@H]1N1CCOCC1 ZINC000246608188 165140475 /nfs/dbraw/zinc/14/04/75/165140475.db2.gz WRJGNSQXVAXZGC-BZUAXINKSA-N 0 0 347.463 0.595 10 0 ECAERN CNC(=O)CNC(=O)NC[C@H](c1cccs1)N1CCO[C@@H](C)C1 ZINC000246946778 165148567 /nfs/dbraw/zinc/14/85/67/165148567.db2.gz PBKJXFSKKNKDDA-NWDGAFQWSA-N 0 0 340.449 0.555 10 0 ECAERN CCCC[C@@H](NC(N)=O)C(=O)N1CCN(CCOCC)[C@@H](C)C1 ZINC000247228280 165155582 /nfs/dbraw/zinc/15/55/82/165155582.db2.gz WDRRMHSYQOCXDE-UONOGXRCSA-N 0 0 328.457 0.783 10 0 ECAERN C[C@@H]1CN([C@H](CNC(=O)[C@H]2CCC(=O)N2)c2cccs2)CCO1 ZINC000247185327 165155724 /nfs/dbraw/zinc/15/57/24/165155724.db2.gz ZXMOVEWOKDCRSQ-JHJVBQTASA-N 0 0 337.445 0.905 10 0 ECAERN Cn1c2[nH]c(CN3CC[C@@]4(O)CCCC[C@H]4C3)nc2c(=O)n(C)c1=O ZINC000247323904 165157621 /nfs/dbraw/zinc/15/76/21/165157621.db2.gz WJXKZQSZEWAKMX-GTNSWQLSSA-N 0 0 347.419 0.087 10 0 ECAERN C[C@@H]1CN2CCC[C@H]2CN1C(=O)CS[C@H]1CCS(=O)(=O)C1 ZINC000247411196 165159610 /nfs/dbraw/zinc/15/96/10/165159610.db2.gz QCMSVMBJYZBQND-AGIUHOORSA-N 0 0 332.491 0.602 10 0 ECAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)N[C@H](C)C[S@@](C)=O)CC2 ZINC000248447953 165174872 /nfs/dbraw/zinc/17/48/72/165174872.db2.gz DJOIFQORDLRFKV-NFULHVNHSA-N 0 0 327.454 0.783 10 0 ECAERN NC(=O)[C@@H]1COCCN1C[C@H](O)c1ccc(F)c(Br)c1 ZINC000248572229 165177849 /nfs/dbraw/zinc/17/78/49/165177849.db2.gz ROCJTNLSYHMZTH-RYUDHWBXSA-N 0 0 347.184 0.808 10 0 ECAERN NC(=O)[C@@H]1COCCN1C(=O)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000248657655 165179742 /nfs/dbraw/zinc/17/97/42/165179742.db2.gz XJTFFRHSXBIHCT-SBMIAAHKSA-N 0 0 328.290 0.920 10 0 ECAERN CCN(CC)C(=O)CCCNC(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000248591411 165182449 /nfs/dbraw/zinc/18/24/49/165182449.db2.gz HFELPEJCWKVGSO-GJZGRUSLSA-N 0 0 342.484 0.732 10 0 ECAERN Cc1nc(CN2CCCN(S(=O)(=O)N3CCC[C@H]3C)CC2)no1 ZINC000248697263 165183433 /nfs/dbraw/zinc/18/34/33/165183433.db2.gz JZTOHXFAUAEZCK-GFCCVEGCSA-N 0 0 343.453 0.615 10 0 ECAERN CCC(CC)[C@H](CNC(=O)[C@H]([NH3+])C1CCOCC1)N1CCOCC1 ZINC000261647226 165221402 /nfs/dbraw/zinc/22/14/02/165221402.db2.gz DXMXKGWTMXLJOE-DLBZAZTESA-N 0 0 341.496 0.994 10 0 ECAERN [NH3+]CC1(C(=O)NCCS(=O)(=O)c2ccccc2)CCOCC1 ZINC000261937380 165265665 /nfs/dbraw/zinc/26/56/65/165265665.db2.gz MKVNRKGEOLXKBM-UHFFFAOYSA-N 0 0 326.418 0.332 10 0 ECAERN COc1cc(C(=O)NC[C@H]2CCCC[C@@H]2O)ccc1OCC(N)=O ZINC000262412737 165347064 /nfs/dbraw/zinc/34/70/64/165347064.db2.gz YEAMHVMZZROAHG-OLZOCXBDSA-N 0 0 336.388 0.840 10 0 ECAERN CCn1cncc1S(=O)(=O)NC1CC([N@H+](CC)CC(=O)[O-])C1 ZINC000262452523 165351762 /nfs/dbraw/zinc/35/17/62/165351762.db2.gz GFDWDPQGXCOXHD-UHFFFAOYSA-N 0 0 330.410 0.119 10 0 ECAERN CN[C@@H](C(=O)NCCN1C(=O)c2ccccc2C1=O)c1cnn(C)c1 ZINC000262514125 165357734 /nfs/dbraw/zinc/35/77/34/165357734.db2.gz JZFMWCCRVQXVPC-CQSZACIVSA-N 0 0 341.371 0.093 10 0 ECAERN Cn1ncc2c1nccc2N1C[C@H](F)C[C@H]1C(=O)N1CCOCC1 ZINC000299745132 296881448 /nfs/dbraw/zinc/88/14/48/296881448.db2.gz WJXMUHZYARKTDC-RISCZKNCSA-N 0 0 333.367 0.744 10 0 ECAERN Cc1nnc(N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)s1 ZINC000301334628 296885413 /nfs/dbraw/zinc/88/54/13/296885413.db2.gz CLEBCGXXXKTOMW-UHFFFAOYSA-N 0 0 343.434 0.962 10 0 ECAERN CN(C(=O)N[C@@H]1CCN(C)C1=O)[C@H]1CCCN(c2cccnn2)C1 ZINC000163854409 226023757 /nfs/dbraw/zinc/02/37/57/226023757.db2.gz YVFNROIWXUPLGJ-QWHCGFSZSA-N 0 0 332.408 0.318 10 0 ECAERN O=C1NCCc2ccc(S(=O)(=O)NC[C@H]3CCCC[C@H]3O)cc21 ZINC000121310961 221812487 /nfs/dbraw/zinc/81/24/87/221812487.db2.gz PGDILYKYLOCAES-IUODEOHRSA-N 0 0 338.429 0.802 10 0 ECAERN CN(C(=O)c1ccn(C)c(=O)c1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000122144762 222024288 /nfs/dbraw/zinc/02/42/88/222024288.db2.gz VPGXMGQAQUFWMS-CQSZACIVSA-N 0 0 327.388 0.916 10 0 ECAERN CC[C@@H]1CN(C(=O)C(=O)Nc2ncc(C)s2)CCN1CCOC ZINC000123759609 222328993 /nfs/dbraw/zinc/32/89/93/222328993.db2.gz WCQKCAWALQAOFT-GFCCVEGCSA-N 0 0 340.449 0.959 10 0 ECAERN CC(C)[C@H](C)NC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000124038001 222367108 /nfs/dbraw/zinc/36/71/08/222367108.db2.gz GXIWNBVSCASBHI-AWEZNQCLSA-N 0 0 326.441 0.217 10 0 ECAERN CC[C@@](C)(O)CNC(=O)NC[C@@H]1CCCN1c1cc(NC)ncn1 ZINC000173419214 263148903 /nfs/dbraw/zinc/14/89/03/263148903.db2.gz SJVHXOUBJGLMMW-BLLLJJGKSA-N 0 0 336.440 0.947 10 0 ECAERN CN(C)c1nc2sc(C(=O)N3CCOC[C@@H]3C(N)=O)cc2s1 ZINC000180267689 263156662 /nfs/dbraw/zinc/15/66/62/263156662.db2.gz ZAIWUJNEEPTFAL-SSDOTTSWSA-N 0 0 340.430 0.750 10 0 ECAERN CC(=O)NC1CN(S(=O)(=O)c2cnn(-c3ccccc3F)c2)C1 ZINC000188544843 263161503 /nfs/dbraw/zinc/16/15/03/263161503.db2.gz WJFCJXCXGPHYJN-UHFFFAOYSA-N 0 0 338.364 0.520 10 0 ECAERN O=C(NCc1ccc(Cn2ccccc2=O)cc1)[C@H]1CNC(=O)C1 ZINC000194823620 263169859 /nfs/dbraw/zinc/16/98/59/263169859.db2.gz CHVFVUXFLHCOMJ-OAHLLOKOSA-N 0 0 325.368 0.649 10 0 ECAERN CO[C@H]1C[C@@H](C(N)=O)N(C(=O)c2cncc(Br)c2)C1 ZINC000284558027 264228414 /nfs/dbraw/zinc/22/84/14/264228414.db2.gz JERJEFIXRVLONU-UWVGGRQHSA-N 0 0 328.166 0.559 10 0 ECAERN O=c1cc(N2CC[C@](O)(c3cn[nH]n3)C2)cnn1Cc1ccccc1 ZINC000284600016 264232807 /nfs/dbraw/zinc/23/28/07/264232807.db2.gz QWHQMDVQTJOXKU-QGZVFWFLSA-N 0 0 338.371 0.508 10 0 ECAERN NC(=O)[C@@]1(O)CCCN(C(=O)COc2ccc3c(c2)CCCC3)C1 ZINC000284824886 264242513 /nfs/dbraw/zinc/24/25/13/264242513.db2.gz CDJZVHFLKAVZGD-GOSISDBHSA-N 0 0 332.400 0.783 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1ccc3c(c1)NC(=O)CO3)CC2 ZINC000114870370 276694799 /nfs/dbraw/zinc/69/47/99/276694799.db2.gz YDLTYURHLZUQHJ-NSHDSACASA-N 0 0 341.371 0.916 10 0 ECAERN COc1cc(N2CCC3(C[C@H](N4CCOCC4)CO3)CC2)ncn1 ZINC000096074152 277381316 /nfs/dbraw/zinc/38/13/16/277381316.db2.gz POIHCQHIGZICCN-AWEZNQCLSA-N 0 0 334.420 0.945 10 0 ECAERN CC(=O)N[C@H]1C[C@@H](C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21 ZINC000098091762 278181985 /nfs/dbraw/zinc/18/19/85/278181985.db2.gz MQRCTNZVQVRCRD-XRGYYRRGSA-N 0 0 338.432 0.139 10 0 ECAERN O=C([C@H]1Cc2ccccc2C(=O)O1)N1CC[C@H](N2CCOCC2)C1 ZINC000172762518 280153282 /nfs/dbraw/zinc/15/32/82/280153282.db2.gz MGVYGCLTOWKDEI-GOEBONIOSA-N 0 0 330.384 0.701 10 0 ECAERN CC(C)[C@H](O)CC(=O)NCc1ccccc1S(=O)(=O)N(C)C ZINC000154735146 280344264 /nfs/dbraw/zinc/34/42/64/280344264.db2.gz ZDWPJPOHQBEFLY-CYBMUJFWSA-N 0 0 328.434 0.960 10 0 ECAERN Cc1cccc2[nH]c(CNC(=O)C3CCN(CC(N)=O)CC3)nc21 ZINC000091563368 281263616 /nfs/dbraw/zinc/26/36/16/281263616.db2.gz UXWVITVNNJWYRC-UHFFFAOYSA-N 0 0 329.404 0.685 10 0 ECAERN COC[C@@H](C)n1ccc(NC(=O)NC[C@H](C)N2CCOCC2)n1 ZINC000189828418 437609878 /nfs/dbraw/zinc/60/98/78/437609878.db2.gz BLTLDTACIFELMM-QWHCGFSZSA-N 0 0 325.413 0.933 10 0 ECAERN CN1CC[NH2+]C[C@H]1c1noc(-c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)n1 ZINC000263245699 290063145 /nfs/dbraw/zinc/06/31/45/290063145.db2.gz PFDPMVOSQOSLLS-VIFPVBQESA-N 0 0 329.320 0.062 10 0 ECAERN CNC(=O)CCN(C)S(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C ZINC000171426395 290398141 /nfs/dbraw/zinc/39/81/41/290398141.db2.gz VEYHHBCTADUDQB-NHYWBVRUSA-N 0 0 330.450 0.780 10 0 ECAERN O=C(Cn1cc(NC(=O)N2CC(O)(C3CC3)C2)cn1)NC1CCCC1 ZINC000333019964 297100832 /nfs/dbraw/zinc/10/08/32/297100832.db2.gz ILOOEGMPCSWOBJ-UHFFFAOYSA-N 0 0 347.419 0.931 10 0 ECAERN O=C1[C@@H](N2CCC[C@@H](N3CCCS3(=O)=O)C2)CCN1C1CC1 ZINC000333055961 297105540 /nfs/dbraw/zinc/10/55/40/297105540.db2.gz RHMUSIJDZHXHEV-KGLIPLIRSA-N 0 0 327.450 0.250 10 0 ECAERN O=C(N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1)c1cn([C@@H]2CCOC2)nn1 ZINC000333092146 297108996 /nfs/dbraw/zinc/10/89/96/297108996.db2.gz SYFYCLPZQCOMPT-HZSPNIEDSA-N 0 0 347.419 0.760 10 0 ECAERN C[C@@]1(C(=O)N2CCN(C(=O)c3ccccc3O)CC2)CCCNC1=O ZINC000333101416 297110014 /nfs/dbraw/zinc/11/00/14/297110014.db2.gz VHHHCQNVNRXMNR-GOSISDBHSA-N 0 0 345.399 0.593 10 0 ECAERN C[C@H](C(=O)N[C@H]1CCN(C(=O)c2ccccn2)C1)N1CCOCC1 ZINC000333197663 297117562 /nfs/dbraw/zinc/11/75/62/297117562.db2.gz XWPMLJGGWZIBLU-KGLIPLIRSA-N 0 0 332.404 0.133 10 0 ECAERN Cn1ccnc1[C@H]1CN(C(=O)c2cnc3c(c2)ncn3C)CCN1C ZINC000333407183 297131697 /nfs/dbraw/zinc/13/16/97/297131697.db2.gz GHSLHKZCQRVFMD-CQSZACIVSA-N 0 0 339.403 0.831 10 0 ECAERN Cc1nc2c(cnn2C)c(N2CCC([C@@H](O)C(=O)NC3CC3)CC2)n1 ZINC000333536522 297140605 /nfs/dbraw/zinc/14/06/05/297140605.db2.gz YWWHFYDUNXVTNA-CQSZACIVSA-N 0 0 344.419 0.528 10 0 ECAERN C[C@@H](NC(=O)N1CCC[C@@H](N2CCNCC2=O)C1)c1cccnc1 ZINC000333930307 297156344 /nfs/dbraw/zinc/15/63/44/297156344.db2.gz YZYKYPPSILDWFE-UKRRQHHQSA-N 0 0 331.420 0.748 10 0 ECAERN CO[C@H]1C[C@@H](C(N)=O)N(C(=O)c2ccc(-n3cc(C)cn3)cc2)C1 ZINC000344994342 298101848 /nfs/dbraw/zinc/10/18/48/298101848.db2.gz BCNZIYFALRKBTH-GJZGRUSLSA-N 0 0 328.372 0.896 10 0 ECAERN C[C@H]1CN(C(=O)c2cccc(NC(N)=O)c2)C[C@H]1N1CCOCC1 ZINC000173960885 300197211 /nfs/dbraw/zinc/19/72/11/300197211.db2.gz VXHUYSYIDGAIPF-SWLSCSKDSA-N 0 0 332.404 0.970 10 0 ECAERN CC[C@@H]1CN(C(=O)[C@@H]2CSCN2C(C)=O)C[C@@H]1N1CCOCC1 ZINC000363471453 300267474 /nfs/dbraw/zinc/26/74/74/300267474.db2.gz NSSXFHZEUNZFQO-ILXRZTDVSA-N 0 0 341.477 0.477 10 0 ECAERN C[C@@H]1Oc2ccccc2N(CC(=O)N2CCCNC(=O)[C@H]2C)C1=O ZINC000364999724 300409127 /nfs/dbraw/zinc/40/91/27/300409127.db2.gz FTLUKZQPKOIYJK-NEPJUHHUSA-N 0 0 331.372 0.538 10 0 ECAERN Cn1cc([C@H]2[C@@H](C(=O)N3C[C@H](O)C(C)(C)C3)CCC(=O)N2C)cn1 ZINC000365794635 300485278 /nfs/dbraw/zinc/48/52/78/300485278.db2.gz KNQCXUQZIYARRC-YDHLFZDLSA-N 0 0 334.420 0.559 10 0 ECAERN CCC(=O)N1CSC[C@@H]1C(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000369690951 300761964 /nfs/dbraw/zinc/76/19/64/300761964.db2.gz ZETXBWFEVLOHNZ-MELADBBJSA-N 0 0 341.477 0.477 10 0 ECAERN C[C@]1(C2CC2)NC(=O)N(CC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)C1=O ZINC000372782439 301029266 /nfs/dbraw/zinc/02/92/66/301029266.db2.gz QVYHLALZUDXNRS-VHSSKADRSA-N 0 0 349.431 0.861 10 0 ECAERN CCCCC(=O)N1CSC[C@@H]1C(=O)N1CCCNC(=O)[C@@H]1C ZINC000373695912 301077405 /nfs/dbraw/zinc/07/74/05/301077405.db2.gz KAOICMKBFUJSDO-NWDGAFQWSA-N 0 0 327.450 0.815 10 0 ECAERN CC(=O)N1CCOC[C@@H]1C(=O)NCc1nccn1-c1ccccc1 ZINC000375782395 301208549 /nfs/dbraw/zinc/20/85/49/301208549.db2.gz JAIVAFBFJQVEOO-OAHLLOKOSA-N 0 0 328.372 0.736 10 0 ECAERN C[C@@H]1C[C@@H]1NC(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 ZINC000076056639 436189353 /nfs/dbraw/zinc/18/93/53/436189353.db2.gz ALNRTOXVUQRYTC-RISCZKNCSA-N 0 0 330.388 0.466 10 0 ECAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)NC[C@@H](O)COCC(C)C ZINC000083750078 436376900 /nfs/dbraw/zinc/37/69/00/436376900.db2.gz GSMKBUDLVWJJLW-CHWSQXEVSA-N 0 0 325.413 0.754 10 0 ECAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@H](C)CS(=O)(=O)CC ZINC000087139279 436397372 /nfs/dbraw/zinc/39/73/72/436397372.db2.gz GKROTRYZDRVETL-MNOVXSKESA-N 0 0 343.453 0.798 10 0 ECAERN Cc1cc(C)cc(OCc2noc(CN3CCOC[C@@H]3C(N)=O)n2)c1 ZINC000092228341 436467015 /nfs/dbraw/zinc/46/70/15/436467015.db2.gz CMLCYAZVICIUOV-CQSZACIVSA-N 0 0 346.387 0.952 10 0 ECAERN NC(=O)[C@H]1COCCN1C(=O)CCc1nc(-c2ccsc2)no1 ZINC000091780167 436459882 /nfs/dbraw/zinc/45/98/82/436459882.db2.gz DVZJNMAVPQGCJS-SNVBAGLBSA-N 0 0 336.373 0.443 10 0 ECAERN CCS(=O)(=O)N1C[C@@H]2C[N@H+](Cc3cc(C)no3)C[C@]2(C(=O)[O-])C1 ZINC000096150763 436518273 /nfs/dbraw/zinc/51/82/73/436518273.db2.gz HEWGJANXVQGKIN-FZMZJTMJSA-N 0 0 343.405 0.151 10 0 ECAERN CC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2ccnn2C(C)(C)C)C1 ZINC000093200215 436483305 /nfs/dbraw/zinc/48/33/05/436483305.db2.gz IYHUBTCZRPEJFW-LBPRGKRZSA-N 0 0 335.408 0.704 10 0 ECAERN CCCc1nc(CN2CCN(c3ccc4nncn4n3)CC2)no1 ZINC000105817377 436579732 /nfs/dbraw/zinc/57/97/32/436579732.db2.gz DMCNPKKQEIGCOU-UHFFFAOYSA-N 0 0 328.380 0.782 10 0 ECAERN CN1CCO[C@@H](CNC(=O)NCc2cccc(N3CCCC3=O)c2)C1 ZINC000104783197 436563849 /nfs/dbraw/zinc/56/38/49/436563849.db2.gz JAAXOZBASADMSW-INIZCTEOSA-N 0 0 346.431 0.943 10 0 ECAERN CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)NC[C@@H]1CN(C)CCO1 ZINC000109174135 436623925 /nfs/dbraw/zinc/62/39/25/436623925.db2.gz PRVMYBIQMRAPMF-CVEARBPZSA-N 0 0 348.447 0.316 10 0 ECAERN CCc1nccn1[C@H]1CCCN(C(=O)[C@@H](C)NS(C)(=O)=O)C1 ZINC000105882463 436584313 /nfs/dbraw/zinc/58/43/13/436584313.db2.gz KOROQARQIVQHFB-NEPJUHHUSA-N 0 0 328.438 0.547 10 0 ECAERN O=C(CN1CCN(C[C@H](O)c2ccccc2)CC1)NC[C@@H]1CCCO1 ZINC000105911791 436587672 /nfs/dbraw/zinc/58/76/72/436587672.db2.gz RKNHIMPVUKSZCX-ROUUACIJSA-N 0 0 347.459 0.633 10 0 ECAERN CCOc1cccc(N2CCN(C[C@@H](O)CN3CCCC3=O)CC2)n1 ZINC000111691077 436631642 /nfs/dbraw/zinc/63/16/42/436631642.db2.gz SFOXZDCUWOEQDJ-OAHLLOKOSA-N 0 0 348.447 0.586 10 0 ECAERN C[C@H](CNC(=O)N1CCO[C@H](Cn2cccn2)C1)Cn1cccn1 ZINC000111837233 436632234 /nfs/dbraw/zinc/63/22/34/436632234.db2.gz RVKJSJHHCBXDHM-CABCVRRESA-N 0 0 332.408 0.826 10 0 ECAERN O=C(NCc1ccco1)[C@H]1CCCN1C[C@H](O)CN1CCCC1=O ZINC000113504964 436637644 /nfs/dbraw/zinc/63/76/44/436637644.db2.gz SJZONDNIKQZHFF-DZGCQCFKSA-N 0 0 335.404 0.344 10 0 ECAERN CN1CCO[C@H](CNC(=O)c2cc(I)c[nH]2)C1 ZINC000115351301 436646434 /nfs/dbraw/zinc/64/64/34/436646434.db2.gz JTPUHUBWUFRXPC-SECBINFHSA-N 0 0 349.172 0.680 10 0 ECAERN Cn1cc(CN2CCCN(S(=O)(=O)c3cccnc3)CC2)cn1 ZINC000115581261 436647467 /nfs/dbraw/zinc/64/74/67/436647467.db2.gz ZBZZVCPOIGVCRW-UHFFFAOYSA-N 0 0 335.433 0.712 10 0 ECAERN Cn1cc([C@H]2CCN(CC(=O)NC(=O)NCC(F)(F)F)C2)cn1 ZINC000116323486 436650253 /nfs/dbraw/zinc/65/02/53/436650253.db2.gz ZFMAUAPSUQZLPX-VIFPVBQESA-N 0 0 333.314 0.598 10 0 ECAERN CNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](c3cnn(C)c3)C2)o1 ZINC000116229510 436649317 /nfs/dbraw/zinc/64/93/17/436649317.db2.gz BILTYNUCFNTXSH-SNVBAGLBSA-N 0 0 338.389 0.551 10 0 ECAERN CN(C)C(=O)CNC(=O)N1C[C@H](O)C[C@H]1c1cc(F)ccc1F ZINC000120481571 436689275 /nfs/dbraw/zinc/68/92/75/436689275.db2.gz TYSBNLGIFVVPEC-MFKMUULPSA-N 0 0 327.331 0.870 10 0 ECAERN Cc1cc(O)cc(=O)n1CC(=O)N1CCO[C@@H](c2cnn(C)c2)C1 ZINC000150900373 436692774 /nfs/dbraw/zinc/69/27/74/436692774.db2.gz GPKJCSAMWFKITI-CQSZACIVSA-N 0 0 332.360 0.196 10 0 ECAERN O=C(CCn1[nH]c(=O)c2ccccc2c1=O)N[C@@H]1CCCC[C@@H]1CO ZINC000151069799 436695432 /nfs/dbraw/zinc/69/54/32/436695432.db2.gz YHFYKRSDVJDLCF-IUODEOHRSA-N 0 0 345.399 0.747 10 0 ECAERN COCCS(=O)(=O)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000151313539 436699621 /nfs/dbraw/zinc/69/96/21/436699621.db2.gz MQFFUAVTQGWKGW-HNNXBMFYSA-N 0 0 328.434 0.314 10 0 ECAERN C[C@@H](Oc1cccc(CO)c1)C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000120947939 436703439 /nfs/dbraw/zinc/70/34/39/436703439.db2.gz OCWZOPASBOBCHL-GDBMZVCRSA-N 0 0 334.416 0.879 10 0 ECAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)Cn1c(C)cc(O)cc1=O ZINC000151468106 436703575 /nfs/dbraw/zinc/70/35/75/436703575.db2.gz FYXWBDBMCXJSTJ-GFCCVEGCSA-N 0 0 331.376 0.668 10 0 ECAERN CCS(=O)(=O)c1cccc(C(=O)N[C@H]2CCc3ncnn3C2)c1 ZINC000119898190 436675214 /nfs/dbraw/zinc/67/52/14/436675214.db2.gz JMELEYJDFKTACK-LBPRGKRZSA-N 0 0 334.401 0.817 10 0 ECAERN CO[C@H](C)CS(=O)(=O)N1CCN([C@H](C)c2nc(C)no2)CC1 ZINC000195240621 436683758 /nfs/dbraw/zinc/68/37/58/436683758.db2.gz CQJRXXCZIHESPK-GHMZBOCLSA-N 0 0 332.426 0.421 10 0 ECAERN C[C@@H](CNC(=O)N[C@@H](C)C(=O)N1CCCCC1)N1CCOCC1 ZINC000152176472 436721302 /nfs/dbraw/zinc/72/13/02/436721302.db2.gz WREBLLPNCSYVAU-KBPBESRZSA-N 0 0 326.441 0.407 10 0 ECAERN CC(C)C[C@H](C[NH+](C)C)NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000068224139 436738423 /nfs/dbraw/zinc/73/84/23/436738423.db2.gz WNMISEIIQIPJIA-LLVKDONJSA-N 0 0 333.392 0.730 10 0 ECAERN CCn1cc([C@@H]2CN(C[C@H](O)COC[C@H]3CCCO3)CCO2)cn1 ZINC000248714598 436809393 /nfs/dbraw/zinc/80/93/93/436809393.db2.gz JXNSFOKAWZCLDE-BBWFWOEESA-N 0 0 339.436 0.833 10 0 ECAERN COc1ccccc1/C(C)=C/C(=O)NC[C@@H](O)CN1CCOCC1 ZINC000128077903 436810779 /nfs/dbraw/zinc/81/07/79/436810779.db2.gz JTQYFRCWGDQIPO-ATGUSINASA-N 0 0 334.416 0.908 10 0 ECAERN COc1cccc([C@@H]2C[C@H]2C(=O)NC[C@H](O)CN2CCOCC2)c1 ZINC000128094134 436811529 /nfs/dbraw/zinc/81/15/29/436811529.db2.gz OLUPKSNCZANZEK-BHYGNILZSA-N 0 0 334.416 0.608 10 0 ECAERN CCn1cc(C2CCN(C(=O)NC[C@@H]3CC[C@@H](C(N)=O)O3)CC2)cn1 ZINC000154264407 436773662 /nfs/dbraw/zinc/77/36/62/436773662.db2.gz KMVCJNWDRIRLDZ-GJZGRUSLSA-N 0 0 349.435 0.825 10 0 ECAERN CNS(=O)(=O)c1ccc(C(=O)N2CCC(c3cc[nH]n3)CC2)o1 ZINC000125679828 436774066 /nfs/dbraw/zinc/77/40/66/436774066.db2.gz PLMCLRUUZFZJFU-UHFFFAOYSA-N 0 0 338.389 0.931 10 0 ECAERN CS(=O)(=O)N1CCC[C@@H](CN2CCO[C@@H](Cn3cccn3)C2)C1 ZINC000246360580 436777560 /nfs/dbraw/zinc/77/75/60/436777560.db2.gz PZPQZXVKGWAPAR-LSDHHAIUSA-N 0 0 342.465 0.256 10 0 ECAERN Cn1c(=O)ccn(CC(=O)N2CCC[C@H]2C[C@@H](O)c2ccco2)c1=O ZINC000154507558 436781520 /nfs/dbraw/zinc/78/15/20/436781520.db2.gz KJZJBKZASHJIDK-QWHCGFSZSA-N 0 0 347.371 0.255 10 0 ECAERN Nc1ncc(Cl)cc1S(=O)(=O)N1CCC[C@H](n2cncn2)C1 ZINC000155128407 436789930 /nfs/dbraw/zinc/78/99/30/436789930.db2.gz KICBLVJPKAYTEN-JTQLQIEISA-N 0 0 342.812 0.935 10 0 ECAERN O=C(COc1ccc(F)c(Cl)c1)NC[C@H](O)CN1CCOCC1 ZINC000128991999 436822023 /nfs/dbraw/zinc/82/20/23/436822023.db2.gz ZYJVDNBMGFJGMT-NSHDSACASA-N 0 0 346.786 0.667 10 0 ECAERN C[C@H](CNC(=O)c1ccc2c(c1)NC(=O)CCN2C)N1CCOCC1 ZINC000155425084 436795015 /nfs/dbraw/zinc/79/50/15/436795015.db2.gz XQQYAUHVLGJQLN-CYBMUJFWSA-N 0 0 346.431 0.916 10 0 ECAERN Cc1ccc(CC(=O)N[C@@H]2CN(c3ccncn3)C[C@H]2CO)cc1 ZINC000253407309 436842357 /nfs/dbraw/zinc/84/23/57/436842357.db2.gz JSHRSKVRELSEAA-JKSUJKDBSA-N 0 0 326.400 0.941 10 0 ECAERN Cn1cnc(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)N2CCCCC2)c1 ZINC000257187914 436857134 /nfs/dbraw/zinc/85/71/34/436857134.db2.gz MEXUXRLFMFLPEV-RYUDHWBXSA-N 0 0 344.412 0.534 10 0 ECAERN Cc1cccc(OCCC(=O)NC[C@@H](O)CN2CCOCC2)c1C ZINC000128979693 436822755 /nfs/dbraw/zinc/82/27/55/436822755.db2.gz UIPMOGVSQBQUNI-MRXNPFEDSA-N 0 0 336.432 0.882 10 0 ECAERN Cc1cc(C)cc(OCCC(=O)NC[C@@H](O)CN2CCOCC2)c1 ZINC000128987297 436822763 /nfs/dbraw/zinc/82/27/63/436822763.db2.gz GWCGUPUXICONBC-MRXNPFEDSA-N 0 0 336.432 0.882 10 0 ECAERN Cc1c(C(=O)NC[C@@H](O)CN2CCOCC2)cnn1-c1ccccc1 ZINC000129036894 436822956 /nfs/dbraw/zinc/82/29/56/436822956.db2.gz IZISYDQBSLBBPH-MRXNPFEDSA-N 0 0 344.415 0.604 10 0 ECAERN CCNC(=O)C(C)(C)CNC(=O)N[C@H]1CCc2nc(CC)nn2C1 ZINC000129337567 436825304 /nfs/dbraw/zinc/82/53/04/436825304.db2.gz IFISHRPKYUNSBW-NSHDSACASA-N 0 0 336.440 0.617 10 0 ECAERN O=C(NC[C@H](O)CN1CCOCC1)c1ccn(-c2cccc(F)c2)n1 ZINC000129424222 436826370 /nfs/dbraw/zinc/82/63/70/436826370.db2.gz LEAODZBVJFPDPI-HNNXBMFYSA-N 0 0 348.378 0.434 10 0 ECAERN CCn1cc(NC(=O)C(=O)N[C@@H]2CCc3nc(C(C)C)nn3C2)cn1 ZINC000129991341 436832067 /nfs/dbraw/zinc/83/20/67/436832067.db2.gz LAWPGSJJFDMSCO-LLVKDONJSA-N 0 0 345.407 0.688 10 0 ECAERN Cc1cc(C)n(-c2ccc(C(=O)N3C[C@@H](C)O[C@H](C(N)=O)C3)cn2)n1 ZINC000157607449 436832716 /nfs/dbraw/zinc/83/27/16/436832716.db2.gz USJFJJKNCBVZGI-OCCSQVGLSA-N 0 0 343.387 0.599 10 0 ECAERN CCOCCS(=O)(=O)NCC(=O)N1CCC[C@H]1c1ccco1 ZINC000135611497 436920168 /nfs/dbraw/zinc/92/01/68/436920168.db2.gz SZDUWWNRSZEAHN-LBPRGKRZSA-N 0 0 330.406 0.899 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)N1CCCC3(C1)OCCO3)CC2 ZINC000133765198 436882348 /nfs/dbraw/zinc/88/23/48/436882348.db2.gz CGEJROOJGFOBPO-GFCCVEGCSA-N 0 0 335.408 0.704 10 0 ECAERN Cc1nc(C(=O)N(C)[C@H]2CCCN(c3cccnn3)C2)c(=O)[nH]c1C ZINC000161803031 436897771 /nfs/dbraw/zinc/89/77/71/436897771.db2.gz ZNYLJQSJYYGXOB-ZDUSSCGKSA-N 0 0 342.403 0.918 10 0 ECAERN CN1CCO[C@@H](CNC(=O)N2CCCN(c3nccs3)CC2)C1 ZINC000170924060 436962783 /nfs/dbraw/zinc/96/27/83/436962783.db2.gz RXYGLHKFGGGUEN-ZDUSSCGKSA-N 0 0 339.465 0.695 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)N[C@@H](CO)c2ccccc2)C1 ZINC000263509813 436969586 /nfs/dbraw/zinc/96/95/86/436969586.db2.gz YKWOQEJNVKNONO-NRXISQOPSA-N 0 0 335.404 0.957 10 0 ECAERN CCc1noc([C@@H](C)N2CCN(C(=O)[C@@H]3CSCN3)CC2)n1 ZINC000168146670 436941254 /nfs/dbraw/zinc/94/12/54/436941254.db2.gz CPGOLCBUQVOJBD-MNOVXSKESA-N 0 0 325.438 0.500 10 0 ECAERN CCOc1ccc(C(=O)N2CCO[C@H](C[N@H+](C)CC(=O)[O-])C2)cc1 ZINC000262971419 436946566 /nfs/dbraw/zinc/94/65/66/436946566.db2.gz RYWKFDCBOPKTLJ-OAHLLOKOSA-N 0 0 336.388 0.943 10 0 ECAERN C[C@H]1C[C@@H]1NC(=O)C(=O)Nc1ccc(C(=O)N2CCN(C)CC2)cc1 ZINC000170821793 436954631 /nfs/dbraw/zinc/95/46/31/436954631.db2.gz UCDSNGACISHLOV-WFASDCNBSA-N 0 0 344.415 0.537 10 0 ECAERN C[N@@H+](CC(=O)[O-])C[C@@H]1CN(C(=O)NCC2(C)CCCC2)CCO1 ZINC000263212769 436956536 /nfs/dbraw/zinc/95/65/36/436956536.db2.gz JAVHGQPWABGJRJ-CYBMUJFWSA-N 0 0 327.425 0.994 10 0 ECAERN O=C([C@H]1CC(F)(F)CN1)N1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000263273261 436958442 /nfs/dbraw/zinc/95/84/42/436958442.db2.gz SMKJMDZMXPIDPH-CYBMUJFWSA-N 0 0 341.333 0.994 10 0 ECAERN CS(=O)(=O)c1ccc(OCCNC(=O)[C@@H]2CC(F)(F)CN2)cc1 ZINC000263294246 436960841 /nfs/dbraw/zinc/96/08/41/436960841.db2.gz WDAGQHMDSJNQOB-LBPRGKRZSA-N 0 0 348.371 0.582 10 0 ECAERN O=C(N[C@H]1CCc2ncnn2C1)N1CCN(CC(F)(F)F)CC1 ZINC000172604088 437022818 /nfs/dbraw/zinc/02/28/18/437022818.db2.gz LFDRPIQKTZNLEH-JTQLQIEISA-N 0 0 332.330 0.482 10 0 ECAERN Cn1cc([C@@H]2CCN(C(=O)NCCC(=O)N3CCN(C)CC3)C2)cn1 ZINC000172174441 437002610 /nfs/dbraw/zinc/00/26/10/437002610.db2.gz VCFIFQQEBVMXNU-CQSZACIVSA-N 0 0 348.451 0.083 10 0 ECAERN COc1ccc(C(=O)NCCNC(=O)NCCn2cc(C)cn2)cc1 ZINC000172277518 437007410 /nfs/dbraw/zinc/00/74/10/437007410.db2.gz FSDIZRWTRDBCTF-UHFFFAOYSA-N 0 0 345.403 0.929 10 0 ECAERN COCCN1CCN(C(=O)CNC(=O)c2ccc(F)cc2)C[C@H]1C ZINC000172295847 437007716 /nfs/dbraw/zinc/00/77/16/437007716.db2.gz SHUPINFEJIOTQH-CYBMUJFWSA-N 0 0 337.395 0.735 10 0 ECAERN COCCN1CCN(C(=O)NCCN2CCOCC2(C)C)C[C@H]1C ZINC000172335055 437010834 /nfs/dbraw/zinc/01/08/34/437010834.db2.gz FJBUBCNNPBOYGY-OAHLLOKOSA-N 0 0 342.484 0.459 10 0 ECAERN COc1ccccc1S(=O)(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000174002004 437073942 /nfs/dbraw/zinc/07/39/42/437073942.db2.gz NMIJZHWROHSZAQ-CYBMUJFWSA-N 0 0 326.418 0.790 10 0 ECAERN COCCn1cc(NC(=O)N2CCN(C[C@@H](C)O)[C@@H](C)C2)cn1 ZINC000173237731 437043666 /nfs/dbraw/zinc/04/36/66/437043666.db2.gz CNKRSWBSRAEAER-QWHCGFSZSA-N 0 0 325.413 0.448 10 0 ECAERN Cc1nnc([C@@H]2CN(C(=O)CCNC(=O)c3ccsc3)CCO2)[nH]1 ZINC000173527573 437054075 /nfs/dbraw/zinc/05/40/75/437054075.db2.gz HBQBSZJQFLESOA-LBPRGKRZSA-N 0 0 349.416 0.895 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)c1cccc(C(=O)NC)c1)CC2 ZINC000173767470 437062066 /nfs/dbraw/zinc/06/20/66/437062066.db2.gz QSAKUOVPWLNIJA-CYBMUJFWSA-N 0 0 327.388 0.945 10 0 ECAERN COC(=O)CCCc1nc(CN2CC[C@H](N3CCOCC3)C2)no1 ZINC000173940275 437068529 /nfs/dbraw/zinc/06/85/29/437068529.db2.gz QHHYZQRPFUESQA-ZDUSSCGKSA-N 0 0 338.408 0.472 10 0 ECAERN O=C(Nc1ccc(F)c(F)c1)C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000174009655 437072347 /nfs/dbraw/zinc/07/23/47/437072347.db2.gz FSDQCTNYEMPQEA-GFCCVEGCSA-N 0 0 339.342 0.836 10 0 ECAERN CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000175041766 437095608 /nfs/dbraw/zinc/09/56/08/437095608.db2.gz DHPLQCATOHUOPU-VXGBXAGGSA-N 0 0 343.387 0.310 10 0 ECAERN COC1(CN2C[C@H](F)C[C@H]2C(=O)N2CCOCC2)CCOCC1 ZINC000299741524 437107642 /nfs/dbraw/zinc/10/76/42/437107642.db2.gz FNUIWGAGBWPWBT-KGLIPLIRSA-N 0 0 330.400 0.453 10 0 ECAERN COCCN1C(=O)N[C@@H]2CN(c3ccc4nc(C)nn4n3)CC[C@@H]21 ZINC000299744252 437108358 /nfs/dbraw/zinc/10/83/58/437108358.db2.gz RJFYHPMZNAJWHM-NEPJUHHUSA-N 0 0 331.380 0.052 10 0 ECAERN Cc1cc(N2CCC[C@H](NS(=O)(=O)CCCF)C2=O)n(C)n1 ZINC000175598441 437109366 /nfs/dbraw/zinc/10/93/66/437109366.db2.gz JLCDKKNWTKVRLE-NSHDSACASA-N 0 0 332.401 0.503 10 0 ECAERN O=C([C@@H]1CCCO1)N1CCN(c2nccn3c2nnc3C2CC2)CC1 ZINC000302225393 437140974 /nfs/dbraw/zinc/14/09/74/437140974.db2.gz VHHLSPYBQHKTQJ-ZDUSSCGKSA-N 0 0 342.403 0.829 10 0 ECAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)[C@H](C)CS(C)(=O)=O)C2)n1 ZINC000176853539 437160533 /nfs/dbraw/zinc/16/05/33/437160533.db2.gz PLBGSPQWCYFUHI-RISCZKNCSA-N 0 0 342.465 0.814 10 0 ECAERN CC[C@H]1CN(C(=O)CC2(CS(C)(=O)=O)CC2)CCN1C[C@@H](C)O ZINC000176921128 437161728 /nfs/dbraw/zinc/16/17/28/437161728.db2.gz DBEGJFCDKUYEPV-KGLIPLIRSA-N 0 0 346.493 0.505 10 0 ECAERN COC[C@H](C)N1CCN(c2cnn(C)c(=O)c2Br)CC1 ZINC000301220031 437116108 /nfs/dbraw/zinc/11/61/08/437116108.db2.gz AETUZJHAHCTKJK-JTQLQIEISA-N 0 0 345.241 0.700 10 0 ECAERN CN(C)[C@@H](CNC1=NS(=O)(=O)c2ccccc21)c1cnn(C)c1 ZINC000301305429 437116882 /nfs/dbraw/zinc/11/68/82/437116882.db2.gz YAOCYUOIZNIPGP-ZDUSSCGKSA-N 0 0 333.417 0.762 10 0 ECAERN CNC(=O)CN1CCC(NC(=O)N[C@H]2CCCC[C@@H]2CO)CC1 ZINC000175950849 437125320 /nfs/dbraw/zinc/12/53/20/437125320.db2.gz FDTPPDFUJMVJJV-OCCSQVGLSA-N 0 0 326.441 0.047 10 0 ECAERN NS(=O)(=O)c1cnc(NC[C@H](CO)Cc2ccccn2)s1 ZINC000301526970 437125918 /nfs/dbraw/zinc/12/59/18/437125918.db2.gz GJVRIGFTMQXJKP-SECBINFHSA-N 0 0 328.419 0.449 10 0 ECAERN Cc1nccn1C[C@H]1CCCN1C(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000177177925 437173979 /nfs/dbraw/zinc/17/39/79/437173979.db2.gz VXUCWAOPWQJJQV-UONOGXRCSA-N 0 0 342.403 0.959 10 0 ECAERN Cc1nccn1C[C@H]1CCCN1C(=O)CCCN1C(=O)CN(C)C1=O ZINC000177181205 437174453 /nfs/dbraw/zinc/17/44/53/437174453.db2.gz AZYZVAFPMGYUTA-CQSZACIVSA-N 0 0 347.419 0.857 10 0 ECAERN C[C@@H]1CN(C(=O)c2nc3ccccc3c(=O)[nH]2)C[C@@H]1N1CCOCC1 ZINC000177232304 437175613 /nfs/dbraw/zinc/17/56/13/437175613.db2.gz ZMVUQYDLNJEWCJ-DOMZBBRYSA-N 0 0 342.399 0.716 10 0 ECAERN O=C(NCCn1c(=O)[nH]c2ccccc21)N[C@H]1CCCn2ncnc21 ZINC000177305836 437178643 /nfs/dbraw/zinc/17/86/43/437178643.db2.gz MICYZALEBRHEKB-LBPRGKRZSA-N 0 0 341.375 0.755 10 0 ECAERN O=C(CCn1nnc2ccccc2c1=O)N[C@@H]1CCCn2ncnc21 ZINC000177575539 437190901 /nfs/dbraw/zinc/19/09/01/437190901.db2.gz FPCUHVFZHNXNCU-CYBMUJFWSA-N 0 0 339.359 0.424 10 0 ECAERN CCCNC(=O)[C@@H]1CCCN(C(=O)N[C@@H](C(=O)NC)C(C)C)C1 ZINC000178442818 437217142 /nfs/dbraw/zinc/21/71/42/437217142.db2.gz KVMWHFXFQWOXLA-CHWSQXEVSA-N 0 0 326.441 0.705 10 0 ECAERN O=C([C@@H]1CC(=O)N(c2cn[nH]c2)C1)N1CCC[C@@H](Cn2cncn2)C1 ZINC000178261800 437210638 /nfs/dbraw/zinc/21/06/38/437210638.db2.gz JPQKIVULVYMXNY-CHWSQXEVSA-N 0 0 343.391 0.293 10 0 ECAERN O=C(/C=C/c1ccc2c(c1)OCO2)N1CC[C@@]2(C1)NC(=O)NC2=O ZINC000325417483 437230743 /nfs/dbraw/zinc/23/07/43/437230743.db2.gz MULBJXJVWGCUTH-ICTCPBKTSA-N 0 0 329.312 0.239 10 0 ECAERN CCN1CCN(C(=O)CCc2cnn(C)c2)C[C@H]1c1nccn1C ZINC000328640933 437244422 /nfs/dbraw/zinc/24/44/22/437244422.db2.gz XQHMOYXSURNUOU-HNNXBMFYSA-N 0 0 330.436 0.992 10 0 ECAERN O=C(CN1C[C@H](O)C[C@@H]1CO)Nc1nc2ccc(F)cc2s1 ZINC000179179179 437255296 /nfs/dbraw/zinc/25/52/96/437255296.db2.gz DDRGIKUMCCGFRZ-NXEZZACHSA-N 0 0 325.365 0.801 10 0 ECAERN CC(C)Cc1ccc(S(=O)(=O)N2CCOC[C@H]2C(N)=O)cc1 ZINC000179686642 437271795 /nfs/dbraw/zinc/27/17/95/437271795.db2.gz BFAWHUQKOPYQII-AWEZNQCLSA-N 0 0 326.418 0.760 10 0 ECAERN Cc1ncc(C(=O)N2CCN(c3ccc4nncn4n3)CC2)c(C)n1 ZINC000180435373 437289623 /nfs/dbraw/zinc/28/96/23/437289623.db2.gz XZIMKWRKZHXBBB-UHFFFAOYSA-N 0 0 338.375 0.494 10 0 ECAERN COc1cccc(CC(=O)N2CCC[C@](O)(Cn3ccnn3)C2)n1 ZINC000328975064 437296285 /nfs/dbraw/zinc/29/62/85/437296285.db2.gz WANTXRVJUVFYRA-MRXNPFEDSA-N 0 0 331.376 0.278 10 0 ECAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)NCCCOCCO)CC2 ZINC000181593711 437323303 /nfs/dbraw/zinc/32/33/03/437323303.db2.gz BLHBSTOZPQOYAG-GFCCVEGCSA-N 0 0 325.413 0.415 10 0 ECAERN Cn1nccc1C1CCN(C(=O)NCC(=O)N2CCOCC2)CC1 ZINC000181855227 437330697 /nfs/dbraw/zinc/33/06/97/437330697.db2.gz JPVLTZVEEYWWCU-UHFFFAOYSA-N 0 0 335.408 0.168 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)NCCc2cn3ccccc3n2)CC1 ZINC000184779365 437411791 /nfs/dbraw/zinc/41/17/91/437411791.db2.gz MBLBEKRZOPOVQJ-MRXNPFEDSA-N 0 0 345.447 0.975 10 0 ECAERN COCC(=O)NC1CN(C[C@@H](O)COCc2ccccc2Cl)C1 ZINC000185092417 437425288 /nfs/dbraw/zinc/42/52/88/437425288.db2.gz PNLZNMLUUPBOST-CQSZACIVSA-N 0 0 342.823 0.664 10 0 ECAERN COCC(=O)NC1CN(C[C@@H](O)CO[C@H]2CCCc3ccccc32)C1 ZINC000185091644 437425340 /nfs/dbraw/zinc/42/53/40/437425340.db2.gz OFDBHNUAUYPULK-AEFFLSMTSA-N 0 0 348.443 0.888 10 0 ECAERN OC[C@H]1C[C@H](O)CN1Cc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000184005012 437395400 /nfs/dbraw/zinc/39/54/00/437395400.db2.gz PCRWGAHSGOKXJY-NEPJUHHUSA-N 0 0 326.759 0.987 10 0 ECAERN COCC(=O)NC1CN(C(=O)c2cncn2-c2ccc(F)cc2)C1 ZINC000185261154 437433143 /nfs/dbraw/zinc/43/31/43/437433143.db2.gz QWUHJQCAVSYBAS-UHFFFAOYSA-N 0 0 332.335 0.598 10 0 ECAERN CN(C)c1noc(CN2CCN(C[C@H](O)c3ccccc3)CC2)n1 ZINC000185258216 437433165 /nfs/dbraw/zinc/43/31/65/437433165.db2.gz DKCZEMHLLUUIHR-HNNXBMFYSA-N 0 0 331.420 0.987 10 0 ECAERN COCC(=O)NC1CN(C(=O)c2cnn(CCC(F)(F)F)c2)C1 ZINC000185306163 437434194 /nfs/dbraw/zinc/43/41/94/437434194.db2.gz CAGSEWLDDKMHPM-UHFFFAOYSA-N 0 0 334.298 0.423 10 0 ECAERN CC[S@](=O)[C@H]1CCC[C@H](NC(=O)N2CC(NC(=O)C3CC3)C2)C1 ZINC000187456444 437503904 /nfs/dbraw/zinc/50/39/04/437503904.db2.gz BLUHOBNTTSZDOP-YSALQEOHSA-N 0 0 341.477 0.986 10 0 ECAERN C[C@@H]1C(=O)NCCCN1C(=O)CN1CCN(Cc2ccccc2)CC1 ZINC000188079572 437526147 /nfs/dbraw/zinc/52/61/47/437526147.db2.gz PZOBOZGHFMZBDD-MRXNPFEDSA-N 0 0 344.459 0.541 10 0 ECAERN CNS(=O)(=O)CCNC(=O)N1CCCC[C@H]1c1nccs1 ZINC000188240365 437538592 /nfs/dbraw/zinc/53/85/92/437538592.db2.gz UMQXDNTXIYUIMM-JTQLQIEISA-N 0 0 332.451 0.929 10 0 ECAERN CCN(CCNC(=O)[C@H]1C[C@@H](O)CN1C(C)=O)c1cccc(C)c1 ZINC000188467342 437551713 /nfs/dbraw/zinc/55/17/13/437551713.db2.gz BLWOWATXIMWWMU-IAGOWNOFSA-N 0 0 333.432 0.919 10 0 ECAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000188587918 437555863 /nfs/dbraw/zinc/55/58/63/437555863.db2.gz BNHAJUQTAAKNKA-QZTJIDSGSA-N 0 0 345.443 0.533 10 0 ECAERN C[C@@H](c1nnnn1C)N1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000189213232 437587664 /nfs/dbraw/zinc/58/76/64/437587664.db2.gz AYOZQIUZPWUOPS-GJZGRUSLSA-N 0 0 346.435 0.329 10 0 ECAERN CCn1cnc2c(c1=O)CCN(S(=O)(=O)CC[C@@H]1CCCO1)C2 ZINC000189213300 437587877 /nfs/dbraw/zinc/58/78/77/437587877.db2.gz IRXBUSSVVXTAFU-LBPRGKRZSA-N 0 0 341.433 0.520 10 0 ECAERN CCn1cc(NC(=O)C(=O)N2CCO[C@@H](c3cnn(CC)c3)C2)cn1 ZINC000190524887 437628343 /nfs/dbraw/zinc/62/83/43/437628343.db2.gz JZURUTBZQNKGEW-CQSZACIVSA-N 0 0 346.391 0.658 10 0 ECAERN NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@H]1CCc2n[nH]nc2C1 ZINC000370535992 437798395 /nfs/dbraw/zinc/79/83/95/437798395.db2.gz OFBJMJDUQJNKOH-NHYWBVRUSA-N 0 0 325.372 0.348 10 0 ECAERN C[C@@H]1CN(C(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2ccccc2)CC[C@H]1O ZINC000365457169 437917825 /nfs/dbraw/zinc/91/78/25/437917825.db2.gz GXNZCHNAIZEUJF-QIJZBDPFSA-N 0 0 332.400 0.814 10 0 ECAERN CO[C@H]1C[C@H](C(=O)NC2C[C@H](C)C[C@@H](C)C2)N(S(C)(=O)=O)C1 ZINC000365531787 437928192 /nfs/dbraw/zinc/92/81/92/437928192.db2.gz DCOZKDNPZXMVRV-MHDGFBEUSA-N 0 0 332.466 0.976 10 0 ECAERN CO[C@H]1C[C@H](C(=O)N2C[C@H](C)OC(C)(C)C2)N(S(C)(=O)=O)C1 ZINC000365537286 437931054 /nfs/dbraw/zinc/93/10/54/437931054.db2.gz PHXASTLLPCXAIL-SDDRHHMPSA-N 0 0 334.438 0.061 10 0 ECAERN COc1ccc(C(=O)N2CC[C@]3(C2)NC(=O)NC3=O)cc1C1CC1 ZINC000365567053 437933848 /nfs/dbraw/zinc/93/38/48/437933848.db2.gz DFTBMOHQFHRZBQ-QGZVFWFLSA-N 0 0 329.356 0.997 10 0 ECAERN C[C@H]1CCCN(C(=O)C(=O)N2CCN(C)[C@@H](c3nccn3C)C2)C1 ZINC000369352937 438456589 /nfs/dbraw/zinc/45/65/89/438456589.db2.gz LVJBZESGUCINNU-UONOGXRCSA-N 0 0 333.436 0.494 10 0 ECAERN COc1ccc2c(c1)OC[C@H]2CC(=O)N1CC(N2CCNC2=O)C1 ZINC000565037093 438906789 /nfs/dbraw/zinc/90/67/89/438906789.db2.gz YVNBJDROGCKDDN-LLVKDONJSA-N 0 0 331.372 0.797 10 0 ECAERN Cn1ncc(Cl)c1S(=O)(=O)N1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000583616413 439486125 /nfs/dbraw/zinc/48/61/25/439486125.db2.gz ORDMJZCLKXXMCQ-WCQGTBRESA-N 0 0 349.840 0.624 10 0 ECAERN CN(C)c1nc(CN(C)[C@H]2CCN(Cc3cc[nH]n3)C2)cc(=O)[nH]1 ZINC000583621909 439487858 /nfs/dbraw/zinc/48/78/58/439487858.db2.gz QFGZFSMZPOYKJB-AWEZNQCLSA-N 0 0 331.424 0.678 10 0 ECAERN COc1ccc(-c2cccc(S(N)(=O)=O)c2-c2nn[nH]n2)cn1 ZINC000584596818 439604236 /nfs/dbraw/zinc/60/42/36/439604236.db2.gz MESZSSFHHIGVGA-UHFFFAOYSA-N 0 0 332.345 0.585 10 0 ECAERN NC(=O)c1ccc(-c2cccc(S(N)(=O)=O)c2-c2nn[nH]n2)cc1 ZINC000584611864 439604588 /nfs/dbraw/zinc/60/45/88/439604588.db2.gz QKQSMEZWDKRIFV-UHFFFAOYSA-N 0 0 344.356 0.280 10 0 ECAERN NC(=O)c1ccc([C@H]2c3ccccc3CCN2S(N)(=O)=O)cc1 ZINC000616680089 439820813 /nfs/dbraw/zinc/82/08/13/439820813.db2.gz HFETUAKREMJGKD-HNNXBMFYSA-N 0 0 331.397 0.937 10 0 ECAERN CNC(=O)[C@]1(COC)CCCN1C(=O)CCc1c(C)nn(C)c1C ZINC000643952922 440389543 /nfs/dbraw/zinc/38/95/43/440389543.db2.gz GASLXXDBCZNLAE-QGZVFWFLSA-N 0 0 336.436 0.723 10 0 ECAERN CC(=O)N[C@H](CC1CCC1)C(=O)N1CC(OCc2nnc(C)o2)C1 ZINC000644223773 440478665 /nfs/dbraw/zinc/47/86/65/440478665.db2.gz MNHWFHWYVBUTJB-CQSZACIVSA-N 0 0 336.392 0.800 10 0 ECAERN Cn1cc(O[C@@H]2CN(C(=O)CCOCc3ccccc3)C[C@H]2O)cn1 ZINC000628258746 440443832 /nfs/dbraw/zinc/44/38/32/440443832.db2.gz QXHSXFSFGKMDFN-IAGOWNOFSA-N 0 0 345.399 0.978 10 0 ECAERN O=C(NC[C@H](O)CN1CCOCC1)c1cccc(-n2cccn2)c1 ZINC000128119018 320511811 /nfs/dbraw/zinc/51/18/11/320511811.db2.gz MTGJTRBNRNROTA-INIZCTEOSA-N 0 0 330.388 0.295 10 0 ECAERN NC(=O)[C@H]1COCCN1C[C@@H](O)COc1ccc2ccccc2c1 ZINC000179740910 320523647 /nfs/dbraw/zinc/52/36/47/320523647.db2.gz YDLPLUADCYVZCN-NVXWUHKLSA-N 0 0 330.384 0.766 10 0 ECAERN O=C(C[C@@H]1COCCN1C[C@@H](O)CN1CCCC1=O)c1ccco1 ZINC000249311174 320545580 /nfs/dbraw/zinc/54/55/80/320545580.db2.gz DURRJXXTNURTGC-ZIAGYGMSSA-N 0 0 336.388 0.537 10 0 ECAERN C[C@H](CC(=O)N1CCN(c2nccn2C)CC1)N1CCCCC1=O ZINC000328691423 320727459 /nfs/dbraw/zinc/72/74/59/320727459.db2.gz ITYRRPCTOHVXMB-CQSZACIVSA-N 0 0 333.436 0.860 10 0 ECAERN C[C@@H](CC(=O)N1CCN(c2nccn2C)CC1)N1CCCCC1=O ZINC000328691422 320727547 /nfs/dbraw/zinc/72/75/47/320727547.db2.gz ITYRRPCTOHVXMB-AWEZNQCLSA-N 0 0 333.436 0.860 10 0 ECAERN C[C@H](CC(=O)N1CSC[C@H]1C(=O)N(C)C)N1CCCCC1=O ZINC000328696516 320727827 /nfs/dbraw/zinc/72/78/27/320727827.db2.gz KYAPQSOQJVIUNW-NEPJUHHUSA-N 0 0 327.450 0.767 10 0 ECAERN C[C@@H](CC(=O)N1CSC[C@@H]1C(=O)N(C)C)N1CCCCC1=O ZINC000328696653 320728015 /nfs/dbraw/zinc/72/80/15/320728015.db2.gz KYAPQSOQJVIUNW-NWDGAFQWSA-N 0 0 327.450 0.767 10 0 ECAERN CN(C)C(=O)N1CCC(C(=O)N2CCN[C@H](c3cccnc3)C2)CC1 ZINC000328717510 320729149 /nfs/dbraw/zinc/72/91/49/320729149.db2.gz PHZLRBJQYQHNDN-INIZCTEOSA-N 0 0 345.447 0.948 10 0 ECAERN Cc1nc(C(=O)N2C[C@@]3(CCCO3)[C@H]2C(C)C)nn1-c1nc[nH]n1 ZINC000329350543 320767647 /nfs/dbraw/zinc/76/76/47/320767647.db2.gz WVMFSZGJBCHHIV-ABAIWWIYSA-N 0 0 331.380 0.723 10 0 ECAERN Cn1cc([C@@]2(C)CN(C(=O)c3cnn4ccncc34)CCO2)cn1 ZINC000329576555 320779452 /nfs/dbraw/zinc/77/94/52/320779452.db2.gz VVKMUNRXMVGLNB-MRXNPFEDSA-N 0 0 326.360 0.851 10 0 ECAERN CCc1noc([C@H](C)N2CCN(C(=O)C3(O)CCOCC3)CC2)n1 ZINC000330008984 320800463 /nfs/dbraw/zinc/80/04/63/320800463.db2.gz HBVMXZVZEYLBEO-LBPRGKRZSA-N 0 0 338.408 0.379 10 0 ECAERN C[C@@H](CC1CC1)NS(=O)(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000330129163 320806176 /nfs/dbraw/zinc/80/61/76/320806176.db2.gz DVAOMKXWMYHWIZ-NSHDSACASA-N 0 0 338.495 0.766 10 0 ECAERN Cn1nncc1S(=O)(=O)N1CC[C@H](n2ncc3ccccc32)C1 ZINC000330172344 320808393 /nfs/dbraw/zinc/80/83/93/320808393.db2.gz XWRRMRYJEPAIMR-LBPRGKRZSA-N 0 0 332.389 0.801 10 0 ECAERN Cc1nc(C)n(C[C@H]2CN(C(=O)[C@@]3(C)CCCNC3=O)CCO2)n1 ZINC000330313471 320816471 /nfs/dbraw/zinc/81/64/71/320816471.db2.gz OUHTWZLWMAYSAG-CJNGLKHVSA-N 0 0 335.408 0.879 10 0 ECAERN C[C@@H]1CN(C(=O)c2ccccc2Cn2cncn2)C[C@@H](C(N)=O)O1 ZINC000157584481 534430904 /nfs/dbraw/zinc/43/09/04/534430904.db2.gz UAHGILISDVHJFZ-RISCZKNCSA-N 0 0 329.360 0.041 10 0 ECAERN NC(=O)[C@H]1COCCN1C[C@H](O)COc1cccc2ccccc21 ZINC000179723066 534464345 /nfs/dbraw/zinc/46/43/45/534464345.db2.gz PXODWKKPRAULDC-GOEBONIOSA-N 0 0 330.384 0.766 10 0 ECAERN O=C([C@@H](O)c1ccccc1)N1CCN(c2ccc3nncn3n2)CC1 ZINC000175008380 534573449 /nfs/dbraw/zinc/57/34/49/534573449.db2.gz YHMWQWKCOKHXSC-INIZCTEOSA-N 0 0 338.371 0.507 10 0 ECAERN O=C(NC[C@H](O)CN1CCOCC1)c1ccc(-n2cccn2)cc1 ZINC000154157013 534624827 /nfs/dbraw/zinc/62/48/27/534624827.db2.gz HKYUFYDWCUUNTA-INIZCTEOSA-N 0 0 330.388 0.295 10 0 ECAERN CC(C)(C)S(=O)(=O)CC(=O)N[C@H]1CCCN(c2cccnn2)C1 ZINC000152996330 526597686 /nfs/dbraw/zinc/59/76/86/526597686.db2.gz VHRGHNCMWZDEAR-LBPRGKRZSA-N 0 0 340.449 0.775 10 0 ECAERN CC(C)(C)n1cc(CN2CCN(c3ccc4nncn4n3)CC2)nn1 ZINC000191334877 526920200 /nfs/dbraw/zinc/92/02/00/526920200.db2.gz LOJRSHKLHVVDRP-UHFFFAOYSA-N 0 0 341.423 0.793 10 0 ECAERN CCCC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2cnn(CC)c2)C1 ZINC000129233036 527949873 /nfs/dbraw/zinc/94/98/73/527949873.db2.gz HTSPGSYXQWQBGC-LBPRGKRZSA-N 0 0 335.408 0.749 10 0 ECAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1nc2ccccn2n1 ZINC000132762455 528807276 /nfs/dbraw/zinc/80/72/76/528807276.db2.gz ZTXSDIKIQQWFFP-LLVKDONJSA-N 0 0 337.405 0.872 10 0 ECAERN CCS(=O)(=O)c1ccc(CCC(=O)N2CC(NC(C)=O)C2)cc1 ZINC000190503117 529153739 /nfs/dbraw/zinc/15/37/39/529153739.db2.gz XTHGFXBJWAGPQX-UHFFFAOYSA-N 0 0 338.429 0.760 10 0 ECAERN O=C(Cc1cccnc1)N1CCC(n2c(=O)[nH]c3cncnc32)CC1 ZINC000065256835 545675648 /nfs/dbraw/zinc/67/56/48/545675648.db2.gz AIWKWAKYMWBJQC-UHFFFAOYSA-N 0 0 338.371 0.921 10 0 ECAERN CCCC(=O)NCC(=O)N1CCCN(Cc2cnn(CC)c2)CC1 ZINC000105830722 545736440 /nfs/dbraw/zinc/73/64/40/545736440.db2.gz UXXBZLGJIBCLIK-UHFFFAOYSA-N 0 0 335.452 0.854 10 0 ECAERN Cc1cnn(-c2ccc(C(N)=O)cc2NC(=O)C(=O)N[C@@H]2C[C@H]2C)c1 ZINC000185773106 545895422 /nfs/dbraw/zinc/89/54/22/545895422.db2.gz VUXPASYZHYYHEV-ZYHUDNBSSA-N 0 0 341.371 0.743 10 0 ECAERN CC(C)[C@H](NC(=O)C(=O)Nc1ccn(Cc2ccccc2)n1)C(N)=O ZINC000189530454 545905165 /nfs/dbraw/zinc/90/51/65/545905165.db2.gz HARVZDJWYPDTFU-AWEZNQCLSA-N 0 0 343.387 0.496 10 0 ECAERN C[C@H](N[C@H](CO)c1ccccc1)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000245878314 545937459 /nfs/dbraw/zinc/93/74/59/545937459.db2.gz MYIBCZZEYWEWHK-FPMFFAJLSA-N 0 0 326.418 0.001 10 0 ECAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N(C)C[C@@H](O)C(F)(F)F ZINC000252830900 545945974 /nfs/dbraw/zinc/94/59/74/545945974.db2.gz RRZZNZBCCGWXRL-NXEZZACHSA-N 0 0 346.371 0.572 10 0 ECAERN O=C([O-])C[N@@H+](CC1CC1)C1CC(Nc2cncc(OCCO)n2)C1 ZINC000263554184 545948997 /nfs/dbraw/zinc/94/89/97/545948997.db2.gz NDEIMEIAODBSEI-UHFFFAOYSA-N 0 0 336.392 0.587 10 0 ECAERN CCn1cc(O[C@@H]2CN(S(=O)(=O)c3ccoc3)C[C@H]2O)cn1 ZINC000625316464 547069210 /nfs/dbraw/zinc/06/92/10/547069210.db2.gz BSQRKGSFUFEWLN-CHWSQXEVSA-N 0 0 327.362 0.309 10 0 ECAERN O=S(=O)(N[C@H]1CCOC[C@@H]1O)c1sccc1Br ZINC000625599021 547164929 /nfs/dbraw/zinc/16/49/29/547164929.db2.gz VUGRGSBBOUSWSS-YUMQZZPRSA-N 0 0 342.236 0.939 10 0 ECAERN NC(=O)Cn1nc(Cl)cc/c1=N/S(=O)(=O)c1ccccc1 ZINC000642881980 547399073 /nfs/dbraw/zinc/39/90/73/547399073.db2.gz OHQGGWNBDIRJSE-VBKFSLOCSA-N 0 0 326.765 0.311 10 0 ECAERN O=C(COc1ccc2c(c1)CCC2)N1CC[C@@](O)(Cn2ccnn2)C1 ZINC000794175944 578579088 /nfs/dbraw/zinc/57/90/88/578579088.db2.gz NSICFUYLRINSLE-SFHVURJKSA-N 0 0 342.399 0.809 10 0 ECAERN Cc1noc([C@H]2CC(=O)N(C3CN(Cc4cc[nH]c(=O)c4)C3)C2)n1 ZINC000895888830 586211126 /nfs/dbraw/zinc/21/11/26/586211126.db2.gz IKEFTWPXGSVISW-LBPRGKRZSA-N 0 0 329.360 0.679 10 0 ECAERN Cc1noc([C@H]2COCCN2C(=O)C2C[NH+](C3CCOCC3)C2)n1 ZINC000897361387 586305064 /nfs/dbraw/zinc/30/50/64/586305064.db2.gz GQPGETIVFWCIHV-CQSZACIVSA-N 0 0 336.392 0.389 10 0 ECAERN CNC(=O)c1nc(C2CCN(C(=O)[C@@H]3[C@H](C)C3(F)F)CC2)n[nH]1 ZINC000888094207 586349105 /nfs/dbraw/zinc/34/91/05/586349105.db2.gz FMGAVVJWWOBMTO-CBAPKCEASA-N 0 0 327.335 0.772 10 0 ECAERN CNC(=O)[C@H]1CC(=O)N(C2CN(c3nc4cc(F)ccc4o3)C2)C1 ZINC000888098274 586350058 /nfs/dbraw/zinc/35/00/58/586350058.db2.gz CTDPLSSZQUSDTJ-VIFPVBQESA-N 0 0 332.335 0.750 10 0 ECAERN Cn1nc(C[C@H]2CCCC[C@H]2NC(=O)c2cncnc2)n(C)c1=O ZINC000888099366 586350260 /nfs/dbraw/zinc/35/02/60/586350260.db2.gz WJBNNPJQNAWPIQ-DGCLKSJQSA-N 0 0 330.392 0.440 10 0 ECAERN C[C@H](NC(=O)C1CN(S(C)(=O)=O)C1)c1ccc2c(c1)OCCO2 ZINC000899976364 586516409 /nfs/dbraw/zinc/51/64/09/586516409.db2.gz UWFJLARPLLPMTQ-JTQLQIEISA-N 0 0 340.401 0.526 10 0 ECAERN CCn1cnnc1[C@@H]1CN(C(=O)CNC(=O)N2CCCC2)CCO1 ZINC000907564838 586735766 /nfs/dbraw/zinc/73/57/66/586735766.db2.gz WWGMAGFXWLYXPT-LBPRGKRZSA-N 0 0 336.396 0.003 10 0 ECAERN C/C=C/[C@@H](O)C(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1noc(C)n1 ZINC000907574332 586738568 /nfs/dbraw/zinc/73/85/68/586738568.db2.gz ARLKTDXRDCWYKO-MFAXVDPOSA-N 0 0 326.372 0.686 10 0 ECAERN O=C(CN1CCC[C@@](O)(Cc2nc(C3CC3)no2)C1)N1CCCC1 ZINC000818248843 587417603 /nfs/dbraw/zinc/41/76/03/587417603.db2.gz TYOHUJAHBVOLFY-QGZVFWFLSA-N 0 0 334.420 0.939 10 0 ECAERN Cc1nnc2n1C[C@H](C(N)=O)N(C(=O)CCc1ccc(F)cc1)C2 ZINC000818354316 587425919 /nfs/dbraw/zinc/42/59/19/587425919.db2.gz LYHZXQZLFDOUQV-CYBMUJFWSA-N 0 0 331.351 0.555 10 0 ECAERN Cn1cc([C@H]2CCN(Cn3nnn(-c4ccccc4)c3=O)C2)cn1 ZINC000116259361 589765674 /nfs/dbraw/zinc/76/56/74/589765674.db2.gz XGSWNRLNRHGRSL-ZDUSSCGKSA-N 0 0 325.376 0.610 10 0 ECAERN C[C@@H]1CN(Cn2c3ccc(Cl)cc3oc2=O)C[C@H](C(N)=O)O1 ZINC000120161622 590092606 /nfs/dbraw/zinc/09/26/06/590092606.db2.gz YSSANHQHLMLKJX-PRHODGIISA-N 0 0 325.752 0.780 10 0 ECAERN C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCCn1cccn1 ZINC000125202720 590258698 /nfs/dbraw/zinc/25/86/98/590258698.db2.gz VPFDRSAHSQWCAX-NSHDSACASA-N 0 0 347.400 0.127 10 0 ECAERN Cc1ccc2c(CC(=O)NC[C@@H](O)CN3CCOCC3)c[nH]c2c1 ZINC000128063219 590347436 /nfs/dbraw/zinc/34/74/36/590347436.db2.gz CARKCHBFPMZURR-OAHLLOKOSA-N 0 0 331.416 0.828 10 0 ECAERN Cc1cc(C)n(C[C@@H]2CN(Cn3nc4cnccn4c3=O)CCO2)n1 ZINC000133050570 590676573 /nfs/dbraw/zinc/67/65/73/590676573.db2.gz BRTFKGYIVDGJET-AWEZNQCLSA-N 0 0 343.391 0.063 10 0 ECAERN CCN1CCO[C@@H](CNC(=O)Cc2[nH]cnc2C)[C@@H]1c1nccn1C ZINC000886027171 590786725 /nfs/dbraw/zinc/78/67/25/590786725.db2.gz LXHCPRPKSAPRMV-GOEBONIOSA-N 0 0 346.435 0.572 10 0 ECAERN CCN1CCO[C@@H](CNC(=O)CCn2cccn2)[C@@H]1c1nccn1C ZINC000886027363 590786758 /nfs/dbraw/zinc/78/67/58/590786758.db2.gz VEYRAGXGLKHJBK-GOEBONIOSA-N 0 0 346.435 0.585 10 0 ECAERN CCN1CCO[C@@H](CNC(=O)c2cnc(C)cn2)[C@@H]1c1nccn1C ZINC000886027177 590787329 /nfs/dbraw/zinc/78/73/29/590787329.db2.gz MQJJGEMLCXDVDA-LSDHHAIUSA-N 0 0 344.419 0.710 10 0 ECAERN CCN1CCO[C@@H](CNC(=O)Cc2cc(C)on2)[C@@H]1c1nccn1C ZINC000886027089 590787355 /nfs/dbraw/zinc/78/73/55/590787355.db2.gz DVBZEFLLMXCOLN-GOEBONIOSA-N 0 0 347.419 0.837 10 0 ECAERN Cc1nn(C)c2nccc(N3CCC[C@](O)(Cc4nncn4C)C3)c12 ZINC000886065632 590789903 /nfs/dbraw/zinc/78/99/03/590789903.db2.gz MTVZOPFRJJXSLU-KRWDZBQOSA-N 0 0 341.419 0.979 10 0 ECAERN Cc1cnn([C@H]2[C@H](O)C[C@@H]2Nc2cc(N3CCOCC3)ncn2)c1 ZINC000886079239 590792019 /nfs/dbraw/zinc/79/20/19/590792019.db2.gz NUMDQPDOYBHNLW-WOSRLPQWSA-N 0 0 330.392 0.605 10 0 ECAERN CN(CC1(O)CCC1)C(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1ccnn1C ZINC000886088065 590793655 /nfs/dbraw/zinc/79/36/55/590793655.db2.gz JMNVXLHPTQFLKL-WFASDCNBSA-N 0 0 334.420 0.703 10 0 ECAERN Cn1cnnc1C[C@]1(O)CCCN(C(=O)c2cnn3ccccc23)C1 ZINC000886095392 590794243 /nfs/dbraw/zinc/79/42/43/590794243.db2.gz UUJXJNOHPNWFHG-QGZVFWFLSA-N 0 0 340.387 0.673 10 0 ECAERN COCCC1(C(=O)N2CCC[C@@](O)(Cc3nncn3C)C2)CCC1 ZINC000886094868 590794310 /nfs/dbraw/zinc/79/43/10/590794310.db2.gz FNJGFJGLXPOZND-QGZVFWFLSA-N 0 0 336.436 0.918 10 0 ECAERN CCn1ncc(CNC[C@@H]2OCC(=O)N(CC)[C@H]2c2nccn2C)n1 ZINC000886093389 590794837 /nfs/dbraw/zinc/79/48/37/590794837.db2.gz HOUAKJWRLVAHOM-DZGCQCFKSA-N 0 0 347.423 0.110 10 0 ECAERN CC(=O)NCc1ccc(C(=O)N[C@@H]2C[C@@H](O)C23CCOCC3)cc1 ZINC000887029855 590928857 /nfs/dbraw/zinc/92/88/57/590928857.db2.gz UFRQHUHUVJFOEK-HZPDHXFCSA-N 0 0 332.400 0.983 10 0 ECAERN C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCCc1ncc[nH]1 ZINC000187635911 608676481 /nfs/dbraw/zinc/67/64/81/608676481.db2.gz GLXDWWJRXWTZFQ-JTQLQIEISA-N 0 0 347.400 0.196 10 0 ECAERN O=C(OC[C@H]1CC(=O)N(CCc2ccccc2)C1)[C@H]1CNC(=O)C1 ZINC000176173411 608791668 /nfs/dbraw/zinc/79/16/68/608791668.db2.gz CQMJVOUNMYXQJM-LSDHHAIUSA-N 0 0 330.384 0.757 10 0 ECAERN O=C(Cc1[nH]nc2c1CCCC2)N1CCO[C@H](Cn2cccn2)C1 ZINC000188377755 611671443 /nfs/dbraw/zinc/67/14/43/611671443.db2.gz QCFCNAYYQWPIOL-ZDUSSCGKSA-N 0 0 329.404 0.955 10 0 ECAERN COc1cccc(O)c1C(=O)N1CCC[C@@](O)(C(=O)N2CCCC2)C1 ZINC000908105283 609644383 /nfs/dbraw/zinc/64/43/83/609644383.db2.gz DRULUHMJJFPXRQ-SFHVURJKSA-N 0 0 348.399 0.990 10 0 ECAERN CC(=O)NCc1ccc(C(=O)N[C@@H]2C[C@H](O)[C@@H]2n2cccn2)cc1 ZINC000909157338 609678875 /nfs/dbraw/zinc/67/88/75/609678875.db2.gz MVJSRWVYRFPJCA-OWCLPIDISA-N 0 0 328.372 0.624 10 0 ECAERN O=C(CCn1c2ccccc2nc(N2CCOCC2)c1=O)NC1CC1 ZINC000222914233 609705630 /nfs/dbraw/zinc/70/56/30/609705630.db2.gz OODOEZZSHGOKRG-UHFFFAOYSA-N 0 0 342.399 0.902 10 0 ECAERN CS(=O)(=O)N1CCN(CCNc2cncc3cccnc32)CC1 ZINC000223131897 609708024 /nfs/dbraw/zinc/70/80/24/609708024.db2.gz HTTOPVNQQIVERT-UHFFFAOYSA-N 0 0 335.433 0.619 10 0 ECAERN Cc1ccc([C@H]2[C@H](C(=O)NCC3(CO)CC3)OCC(=O)N2C)cc1 ZINC000223225031 609708942 /nfs/dbraw/zinc/70/89/42/609708942.db2.gz CHLSCUXKBLCTJE-JKSUJKDBSA-N 0 0 332.400 0.782 10 0 ECAERN CN1C(=O)CO[C@H](C(=O)NCC2(CO)CC2)[C@H]1c1ccc(F)cc1 ZINC000223225589 609708969 /nfs/dbraw/zinc/70/89/69/609708969.db2.gz MMOSKYIRGVCRSM-CABCVRRESA-N 0 0 336.363 0.613 10 0 ECAERN O=C(NCC1(CN2CCOCC2)CC1)c1cnc2sccn2c1=O ZINC000223564989 609712527 /nfs/dbraw/zinc/71/25/27/609712527.db2.gz ZZCIJZQPTPCDHH-UHFFFAOYSA-N 0 0 348.428 0.598 10 0 ECAERN O=S(=O)(NCC1(CN2CCOCC2)CCOCC1)C1CCCC1 ZINC000223623905 609712953 /nfs/dbraw/zinc/71/29/53/609712953.db2.gz NXKRULNOIDELCM-UHFFFAOYSA-N 0 0 346.493 0.977 10 0 ECAERN O=c1oc(-c2cccs2)nn1CN1CC[C@H](N2CCOCC2)C1 ZINC000172962350 609777319 /nfs/dbraw/zinc/77/73/19/609777319.db2.gz CEWISGOKSUAFCN-LBPRGKRZSA-N 0 0 336.417 0.929 10 0 ECAERN C[C@H](O)C1CCN(CN2C(=O)C[C@H](Cc3cnn(C)c3)C2=O)CC1 ZINC000173896596 609784890 /nfs/dbraw/zinc/78/48/90/609784890.db2.gz IURIQIQUZJPQRJ-WFASDCNBSA-N 0 0 334.420 0.388 10 0 ECAERN CN(C)c1ccc(N2CCC(NC(=O)[C@H]3CNC(=O)C3)CC2)cc1 ZINC000174196839 609788303 /nfs/dbraw/zinc/78/83/03/609788303.db2.gz REVZYMWEEYGTDK-CYBMUJFWSA-N 0 0 330.432 0.974 10 0 ECAERN O=C(C[C@@H]1CS(=O)(=O)CCN1)Nc1ccc(Br)nc1 ZINC000232477529 609790811 /nfs/dbraw/zinc/79/08/11/609790811.db2.gz QCMITCQXUDFBGQ-SECBINFHSA-N 0 0 348.222 0.559 10 0 ECAERN CC[C@]1(C(C)C)NC(=O)N(CN2CCO[C@H](Cn3cccn3)C2)C1=O ZINC000152842397 609883933 /nfs/dbraw/zinc/88/39/33/609883933.db2.gz PSPFHIPTXGQAGQ-WMLDXEAASA-N 0 0 349.435 0.898 10 0 ECAERN O=C(CN1CC[C@@H](c2ccccc2)NC1=O)N1CCOC[C@H]1CO ZINC000912414846 609952880 /nfs/dbraw/zinc/95/28/80/609952880.db2.gz DQTBNWSXJQFCDE-CABCVRRESA-N 0 0 333.388 0.363 10 0 ECAERN O=C(NC[C@@]1(CO)COCCN1)[C@@H]1C[C@]12CCOc1ccccc12 ZINC000913185027 610047873 /nfs/dbraw/zinc/04/78/73/610047873.db2.gz JRLXIYXHLOYMCO-QGTPRVQTSA-N 0 0 332.400 0.194 10 0 ECAERN O=C(N[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1cccc(F)n1 ZINC000180737484 610056913 /nfs/dbraw/zinc/05/69/13/610056913.db2.gz BEKTXHPWBLFIEV-OCCSQVGLSA-N 0 0 335.291 0.953 10 0 ECAERN CCCC[C@H]1NC(=O)N(CN2CCO[C@@H](Cn3cc(C)cn3)C2)C1=O ZINC000246673169 612402968 /nfs/dbraw/zinc/40/29/68/612402968.db2.gz UPFHABUWOUQXOX-HUUCEWRRSA-N 0 0 349.435 0.960 10 0 ECAERN Nc1ncc(Br)cc1S(=O)(=O)N1CCC(O)CC1 ZINC000050649371 214063714 /nfs/dbraw/zinc/06/37/14/214063714.db2.gz JXMCBXAGVVFKFF-UHFFFAOYSA-N 0 0 336.211 0.572 10 0 ECAERN CNc1ncc(Br)cc1S(=O)(=O)NCCC(N)=O ZINC000050656430 214064899 /nfs/dbraw/zinc/06/48/99/214064899.db2.gz VNFODQLTEOQMHD-UHFFFAOYSA-N 0 0 337.199 0.040 10 0 ECAERN Cc1nn(C)c(C)c1C(=O)C(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000173839688 231048865 /nfs/dbraw/zinc/04/88/65/231048865.db2.gz DKDPIGKYJCKESZ-BXUZGUMPSA-N 0 0 334.420 0.399 10 0 ECAERN C[C@H]1CN(C(=O)CNC(=O)c2cccc(F)c2)C[C@H]1N1CCOCC1 ZINC000173979361 231087940 /nfs/dbraw/zinc/08/79/40/231087940.db2.gz VTQVZNXIIBHRSH-XJKSGUPXSA-N 0 0 349.406 0.735 10 0 ECAERN Cc1cc(N2CCC[C@H](NC(=O)c3ccc[nH]c3=O)C2=O)n(C)n1 ZINC000174996167 231363035 /nfs/dbraw/zinc/36/30/35/231363035.db2.gz UQMRHIZQAXKAAS-LBPRGKRZSA-N 0 0 329.360 0.755 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)CSc2nnc3ccccn32)CC1 ZINC000183433115 529697691 /nfs/dbraw/zinc/69/76/91/529697691.db2.gz ZQHGLTFJJTZXOS-ZDUSSCGKSA-N 0 0 349.460 0.737 10 0 ECAERN CCc1nccn1[C@H]1CCCN(C(=O)NCC(=O)N2CCOCC2)C1 ZINC000181856800 529761040 /nfs/dbraw/zinc/76/10/40/529761040.db2.gz PUNGXMKZFKAVQC-AWEZNQCLSA-N 0 0 349.435 0.651 10 0 ECAERN CN1CCO[C@@H](CNS(=O)(=O)c2cnc(-c3ccccc3)nc2)C1 ZINC000187104972 529784318 /nfs/dbraw/zinc/78/43/18/529784318.db2.gz YQHMGDDRNHURDB-AWEZNQCLSA-N 0 0 348.428 0.753 10 0 ECAERN CNC(=O)[C@H]1CCCN1C(=O)NCCNC(=O)c1ccc(C)cc1 ZINC000158362416 529923537 /nfs/dbraw/zinc/92/35/37/529923537.db2.gz HHVGWKWMSUYHOV-CQSZACIVSA-N 0 0 332.404 0.645 10 0 ECAERN CNC(=O)[C@H]1CCCN1C(=O)NCCc1cccc(C(=O)N(C)C)c1 ZINC000159034805 529923568 /nfs/dbraw/zinc/92/35/68/529923568.db2.gz FIWIXHNIIMBWMA-OAHLLOKOSA-N 0 0 346.431 0.851 10 0 ECAERN Cn1cc(C(=O)[C@@H]2CC[C@]3(O)NC(=O)N[C@@]3(O)C2)c2ccccc21 ZINC000102240118 219192216 /nfs/dbraw/zinc/19/22/16/219192216.db2.gz XXOJAQFCXGVTGZ-FDOKIQAASA-N 0 0 329.356 0.851 10 0 ECAERN COCCCn1c(C)cc(C(=O)CN2CCOC[C@H]2C(N)=O)c1C ZINC000179735650 233379191 /nfs/dbraw/zinc/37/91/91/233379191.db2.gz CWIMPSYKTSEGIJ-HNNXBMFYSA-N 0 0 337.420 0.510 10 0 ECAERN Nc1c(NCCN2CCOCC2)ncnc1-n1nnc2ccccc21 ZINC000040800609 213388884 /nfs/dbraw/zinc/38/88/84/213388884.db2.gz MNILIQYHHZPMIM-UHFFFAOYSA-N 0 0 340.391 0.537 10 0 ECAERN Cn1cc([C@H]2CCCN2C(=O)NCCNC(=O)c2ccn[nH]2)cn1 ZINC000181687662 234286288 /nfs/dbraw/zinc/28/62/88/234286288.db2.gz WEBPTPYRRRJEPN-CYBMUJFWSA-N 0 0 331.380 0.420 10 0 ECAERN O=S(=O)(N[C@H]1CCc2ncnn2C1)c1ccc(C(F)(F)F)nc1 ZINC000181996975 234409639 /nfs/dbraw/zinc/40/96/39/234409639.db2.gz QXFNQXRDZLHGSU-QMMMGPOBSA-N 0 0 347.322 0.985 10 0 ECAERN CC(=O)Nc1ccc(CCNC(=O)NC[C@@H]2CN(C)CCO2)cc1 ZINC000104797960 219419248 /nfs/dbraw/zinc/41/92/48/219419248.db2.gz UZNHOSCRSTWKSZ-MRXNPFEDSA-N 0 0 334.420 0.817 10 0 ECAERN CCc1nnc(CN2CCN(c3nc(C)nc4c3cnn4C)CC2)o1 ZINC000105882336 219577611 /nfs/dbraw/zinc/57/76/11/219577611.db2.gz STRKXOWPDYZDPE-UHFFFAOYSA-N 0 0 342.407 0.939 10 0 ECAERN O=S1(=O)C[C@H](O)[C@H](NCc2ccc(Br)s2)C1 ZINC000038018697 213191696 /nfs/dbraw/zinc/19/16/96/213191696.db2.gz GPLZPXSNXQQDBK-SFYZADRCSA-N 0 0 326.237 0.758 10 0 ECAERN CN(C)C(=O)CN(C)S(=O)(=O)Cc1cccc(C(N)=S)c1 ZINC000038005297 213188144 /nfs/dbraw/zinc/18/81/44/213188144.db2.gz RYHHBUZVBJFKKI-UHFFFAOYSA-N 0 0 329.447 0.171 10 0 ECAERN CNC(=O)CN(C)S(=O)(=O)c1ccc(N)cc1Br ZINC000037270406 213137854 /nfs/dbraw/zinc/13/78/54/213137854.db2.gz QOKLMYSEOPUFTH-UHFFFAOYSA-N 0 0 336.211 0.398 10 0 ECAERN C[C@@H](c1nc(N)nc(N(C)C)n1)N1CCCN(c2cccnn2)CC1 ZINC000106070209 219609961 /nfs/dbraw/zinc/60/99/61/219609961.db2.gz VGZNVWORHVTWJQ-LBPRGKRZSA-N 0 0 343.439 0.583 10 0 ECAERN CCCNC(=O)CN(C)C(=O)CN1CCC[C@@H](NC(=O)CCC)C1 ZINC000101564469 283363855 /nfs/dbraw/zinc/36/38/55/283363855.db2.gz DRMYGOOCIDODOS-CQSZACIVSA-N 0 0 340.468 0.352 10 0 ECAERN COCCN1CCN(C(=O)[C@@H]2CC(=O)N(CCC(C)C)C2)CC1 ZINC000034918601 212999584 /nfs/dbraw/zinc/99/95/84/212999584.db2.gz FZMFYZPLLTVSID-OAHLLOKOSA-N 0 0 325.453 0.672 10 0 ECAERN O=C(NC1CN(C(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)C1)C1CC1 ZINC000189454567 236916768 /nfs/dbraw/zinc/91/67/68/236916768.db2.gz HUYCBXGOHALJAA-HNNXBMFYSA-N 0 0 341.411 0.772 10 0 ECAERN O=S(=O)(NCCCn1ccnc1)c1cnn(-c2ccccn2)c1 ZINC000072239010 216077555 /nfs/dbraw/zinc/07/75/55/216077555.db2.gz DGZNVJFFDRIPBQ-UHFFFAOYSA-N 0 0 332.389 0.832 10 0 ECAERN O=C(NC1CN(C(=O)N[C@H]2CCCN(c3ncccn3)C2)C1)C1CC1 ZINC000190313187 238381308 /nfs/dbraw/zinc/38/13/08/238381308.db2.gz HYBIPTHVXJYSBC-ZDUSSCGKSA-N 0 0 344.419 0.365 10 0 ECAERN O=S(=O)(CCCc1nc(-c2ccccc2)no1)C[C@H](O)CO ZINC000191053140 238876736 /nfs/dbraw/zinc/87/67/36/238876736.db2.gz CHZJIJQKCQFQGK-GFCCVEGCSA-N 0 0 326.374 0.437 10 0 ECAERN CCn1cc(C(=O)C(=O)N2CCO[C@@H](c3cnn(CC)c3)C2)cn1 ZINC000191737491 239273163 /nfs/dbraw/zinc/27/31/63/239273163.db2.gz FPWPQKVUFCPLFK-CQSZACIVSA-N 0 0 331.376 0.902 10 0 ECAERN COC(=O)[C@@H]1CCCCN1C(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000195183828 291319343 /nfs/dbraw/zinc/31/93/43/291319343.db2.gz AELUXNZWHVLNEC-UWVGGRQHSA-N 0 0 336.310 0.951 10 0 ECAERN Cc1ccc(S(=O)(=O)N2CCN(Cc3nnn(C)n3)CC2)cc1 ZINC000193237379 240072709 /nfs/dbraw/zinc/07/27/09/240072709.db2.gz PFKISHKFSZOVNU-UHFFFAOYSA-N 0 0 336.421 0.025 10 0 ECAERN C[C@@H](CC(=O)N1CCN(c2cnn(C)c2)C(=O)C1)N1CCCCC1=O ZINC000193456987 240174233 /nfs/dbraw/zinc/17/42/33/240174233.db2.gz PUIMDYVNSNGDEL-ZDUSSCGKSA-N 0 0 347.419 0.386 10 0 ECAERN O=C(NC[C@H]1CCCC[C@@H]1O)C(=O)Nc1ccc(-n2ccnc2)nc1 ZINC000077938884 217003927 /nfs/dbraw/zinc/00/39/27/217003927.db2.gz SOBLCNOPELZQCL-OCCSQVGLSA-N 0 0 343.387 0.873 10 0 ECAERN C[N@@H+](CC(=O)[O-])C[C@@H]1CN(C(=O)Cc2cccc(F)c2F)CCO1 ZINC000262905572 245243515 /nfs/dbraw/zinc/24/35/15/245243515.db2.gz IVZHIHFOMRYXCA-GFCCVEGCSA-N 0 0 342.342 0.751 10 0 ECAERN CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N1CCN(CCO)CC1 ZINC000078344662 217042037 /nfs/dbraw/zinc/04/20/37/217042037.db2.gz PMRGKJCVDFVLOU-RDJZCZTQSA-N 0 0 347.459 0.968 10 0 ECAERN C[C@H](O)C1CCN(C(=O)C(=O)Nc2ccc(-n3ccnn3)cc2)CC1 ZINC000111920423 220223927 /nfs/dbraw/zinc/22/39/27/220223927.db2.gz LTQKWNRHRQBBOY-LBPRGKRZSA-N 0 0 343.387 0.825 10 0 ECAERN Cc1cnn(C[C@H]2CN(C(=O)CCNC(=O)c3ccco3)CCO2)c1 ZINC000112067687 220237302 /nfs/dbraw/zinc/23/73/02/220237302.db2.gz YCFGTIRDMKGZNP-CQSZACIVSA-N 0 0 346.387 0.832 10 0 ECAERN CCCC[C@@H](NC(N)=O)C(=O)N1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000112066350 220237795 /nfs/dbraw/zinc/23/77/95/220237795.db2.gz ABFDUCSUONZVRG-ZIAGYGMSSA-N 0 0 337.424 0.646 10 0 ECAERN COCCn1cc(NC(=O)N2CCO[C@@H](Cn3cc(C)cn3)C2)cn1 ZINC000112104066 220242766 /nfs/dbraw/zinc/24/27/66/220242766.db2.gz DZKIJWLCVNMITB-OAHLLOKOSA-N 0 0 348.407 0.967 10 0 ECAERN Cc1cnn(C[C@@H]2CN(C(=O)CNC(=O)c3cccs3)CCO2)c1 ZINC000112117890 220245918 /nfs/dbraw/zinc/24/59/18/220245918.db2.gz UPUGNFGVWFTIPC-ZDUSSCGKSA-N 0 0 348.428 0.910 10 0 ECAERN Cc1cnn(C[C@@H]2CN(C(=O)NCCCc3cnn(C)c3)CCO2)c1 ZINC000112110790 220246091 /nfs/dbraw/zinc/24/60/91/220246091.db2.gz YMUNYFPGLWYPSF-INIZCTEOSA-N 0 0 346.435 0.968 10 0 ECAERN Cn1cc(/C=C/C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)c(=O)n(C)c1=O ZINC000151083444 223777832 /nfs/dbraw/zinc/77/78/32/223777832.db2.gz NSDWGLFXNQJWRH-NHVJDYSCSA-N 0 0 347.415 0.251 10 0 ECAERN CCOCCOC(=O)Cn1cnc2sc(C(N)=O)c(C)c2c1=O ZINC000012127251 211299562 /nfs/dbraw/zinc/29/95/62/211299562.db2.gz QBAWEDHRTHLSEP-UHFFFAOYSA-N 0 0 339.373 0.445 10 0 ECAERN NC(=O)[C@H]1COCCN1C(=O)COc1cccc(Br)c1 ZINC000091785851 218066005 /nfs/dbraw/zinc/06/60/05/218066005.db2.gz CKXWDINGYQLZIT-LLVKDONJSA-N 0 0 343.177 0.541 10 0 ECAERN NC(=O)[C@H]1COCCN1C(=O)Cc1ccccc1Br ZINC000091783840 218066158 /nfs/dbraw/zinc/06/61/58/218066158.db2.gz XEMACBRNTBSYRG-LLVKDONJSA-N 0 0 327.178 0.704 10 0 ECAERN NC(=O)[C@H]1COCCN1C(=O)CCc1ncc(-c2ccccc2)o1 ZINC000091784007 218066160 /nfs/dbraw/zinc/06/61/60/218066160.db2.gz DUVUOOPGFBOJDE-CYBMUJFWSA-N 0 0 329.356 0.987 10 0 ECAERN NS(=O)(=O)[C@H]1C(I)=CN=C[C@H]1OC1CC1 ZINC000095734651 218447510 /nfs/dbraw/zinc/44/75/10/218447510.db2.gz BWSKKJSFWPDKGK-SFYZADRCSA-N 0 0 342.158 0.552 10 0 ECAERN Cn1cc(N2C(=O)CC[C@@H]3[C@H]2CCN3C(=O)c2ccnnc2)cn1 ZINC000096186501 218652441 /nfs/dbraw/zinc/65/24/41/218652441.db2.gz CPHFMLZVERBRPH-ZIAGYGMSSA-N 0 0 326.360 0.620 10 0 ECAERN Cc1cc(C)c(N2CC[C@@H](NC(=O)[C@@H]3CNC(=O)C3)C2=O)c(C)c1 ZINC000190559753 291809560 /nfs/dbraw/zinc/80/95/60/291809560.db2.gz HEQAGENOYLKQLG-UONOGXRCSA-N 0 0 329.400 0.969 10 0 ECAERN O=C1C[C@@H](N2CC[C@@H](N3CCOCC3)C2)C(=O)N1CC(F)(F)F ZINC000195243595 296342943 /nfs/dbraw/zinc/34/29/43/296342943.db2.gz CSPMOFQESBOSED-GHMZBOCLSA-N 0 0 335.326 0.083 10 0 ECAERN CNc1cc(N2CCC[C@@H]2CNC(=O)NCc2ccnn2C)ncn1 ZINC000173949194 533048165 /nfs/dbraw/zinc/04/81/65/533048165.db2.gz MOAXUAIMHOVQEM-CYBMUJFWSA-N 0 0 344.423 0.720 10 0 ECAERN O=C(COc1ccc2ccc(=O)oc2c1)N[C@H]1CCc2ncnn2C1 ZINC000112649919 220364353 /nfs/dbraw/zinc/36/43/53/220364353.db2.gz DNSTUYLQSBISQC-LBPRGKRZSA-N 0 0 340.339 0.895 10 0 ECAERN O=C(N[C@@H]1CCc2ncnn2C1)c1ccc(-c2ccco2)[nH]c1=O ZINC000112654808 220365375 /nfs/dbraw/zinc/36/53/75/220365375.db2.gz LAUDCKLHPSBQQT-SNVBAGLBSA-N 0 0 325.328 0.971 10 0 ECAERN C[C@H](NC(=O)N1CCC[C@@H]1C(=O)NC1CC1)C(=O)N1CCCCC1 ZINC000158739876 254501878 /nfs/dbraw/zinc/50/18/78/254501878.db2.gz JWDBFYOSYBCBIC-GXTWGEPZSA-N 0 0 336.436 0.840 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)Cn1c(C)c(C)sc1=O)CC2 ZINC000114868119 220771013 /nfs/dbraw/zinc/77/10/13/220771013.db2.gz KTHFEDPHGITQGM-NSHDSACASA-N 0 0 335.433 0.812 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)CNC(=O)OCC(F)(F)F)CC2 ZINC000114869319 220771077 /nfs/dbraw/zinc/77/10/77/220771077.db2.gz CAEOWJFWFCOCRQ-QMMMGPOBSA-N 0 0 349.313 0.560 10 0 ECAERN O=C(NC[C@@H](O)CN1CCOCC1)c1ccccc1OC(F)F ZINC000154132633 224208261 /nfs/dbraw/zinc/20/82/61/224208261.db2.gz HOZLGQFSEMRJAY-LLVKDONJSA-N 0 0 330.331 0.711 10 0 ECAERN COC(=O)CCCN1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000116399420 220958576 /nfs/dbraw/zinc/95/85/76/220958576.db2.gz DFQDHUUMFNVPAI-MRXNPFEDSA-N 0 0 336.432 0.997 10 0 ECAERN CN1CCO[C@H](CNC(=O)NCC[S@@](=O)Cc2ccccc2)C1 ZINC000116955846 221016451 /nfs/dbraw/zinc/01/64/51/221016451.db2.gz NKTCZLDPALWUDS-CMJOXMDJSA-N 0 0 339.461 0.565 10 0 ECAERN CCOCCN1CCN(C(=O)CCCNC(=O)C2CC2)C[C@H]1C ZINC000117279715 221042544 /nfs/dbraw/zinc/04/25/44/221042544.db2.gz WJUNTMDIDJQPRT-CQSZACIVSA-N 0 0 325.453 0.862 10 0 ECAERN CC[C@@H]1CN(C(=O)[C@@H](C)NC(=O)c2ccoc2)CCN1CCOC ZINC000117299440 221049097 /nfs/dbraw/zinc/04/90/97/221049097.db2.gz BYODUECLSDLFLR-UKRRQHHQSA-N 0 0 337.420 0.967 10 0 ECAERN CN1CCO[C@@H](CNS(=O)(=O)Cc2cccc3cccnc32)C1 ZINC000117914454 221098666 /nfs/dbraw/zinc/09/86/66/221098666.db2.gz POBIMPSCJSMISP-HNNXBMFYSA-N 0 0 335.429 0.985 10 0 ECAERN CN1CCO[C@H](CNC(=O)C(=O)Nc2cnc3ccccc3c2)C1 ZINC000118115164 221119661 /nfs/dbraw/zinc/11/96/61/221119661.db2.gz LFKGTYZMBSRYME-CQSZACIVSA-N 0 0 328.372 0.620 10 0 ECAERN CN1CCO[C@@H](CNC(=O)C(=O)Nc2cc(F)c(F)cc2F)C1 ZINC000118115506 221122186 /nfs/dbraw/zinc/12/21/86/221122186.db2.gz VEHWQQJSURWVTR-QMMMGPOBSA-N 0 0 331.294 0.489 10 0 ECAERN O=C(CCCNC(=O)C1CC1)N[C@@H]1CCCN(c2cccnn2)C1 ZINC000118672639 221167717 /nfs/dbraw/zinc/16/77/17/221167717.db2.gz LLLRNSRQRKOMQO-CQSZACIVSA-N 0 0 331.420 0.868 10 0 ECAERN CN(C)S(=O)(=O)N1CC2(C1)C[C@H](OCc1ccccn1)CS2 ZINC000247977131 257672093 /nfs/dbraw/zinc/67/20/93/257672093.db2.gz WKPAXHADWJHMNJ-ZDUSSCGKSA-N 0 0 343.474 0.965 10 0 ECAERN CN(C)S(=O)(=O)N1Cc2ccnn2[C@H](COCC2CCC2)C1 ZINC000247927515 257673083 /nfs/dbraw/zinc/67/30/83/257673083.db2.gz DXZPBHIUJZHTSQ-AWEZNQCLSA-N 0 0 328.438 0.863 10 0 ECAERN CCOC[C@H]1CCS(=O)(=O)C12CN(c1cc(N(C)C)ncn1)C2 ZINC000248088346 257665925 /nfs/dbraw/zinc/66/59/25/257665925.db2.gz DZHRHTBUGBOHNA-GFCCVEGCSA-N 0 0 340.449 0.573 10 0 ECAERN Cc1cnn(C[C@H]2CN(C(=O)[C@@H]3CCCN(C(N)=O)C3)CCO2)c1 ZINC000112066690 296639798 /nfs/dbraw/zinc/63/97/98/296639798.db2.gz ZBJHFJAZYLYKAH-ZIAGYGMSSA-N 0 0 335.408 0.210 10 0 ECAERN O=C(c1ccccc1Br)N1CC[C@@]2(C1)NC(=O)NC2=O ZINC000084796395 164627799 /nfs/dbraw/zinc/62/77/99/164627799.db2.gz YZICRLTXXLUAKB-ZDUSSCGKSA-N 0 0 338.161 0.873 10 0 ECAERN CC(C)[C@H](NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O)C(N)=O ZINC000135526226 164713156 /nfs/dbraw/zinc/71/31/56/164713156.db2.gz RUMIKEFEFLLSKH-GJZGRUSLSA-N 0 0 346.431 0.987 10 0 ECAERN Cc1cnn(CCNC(=O)N2CCCN(Cc3noc(C)n3)CC2)c1 ZINC000175040823 164878040 /nfs/dbraw/zinc/87/80/40/164878040.db2.gz XONIZSPDCGAKAN-UHFFFAOYSA-N 0 0 347.423 0.800 10 0 ECAERN Cc1cc(NC(=O)C(=O)N2CCC[C@@H](Cc3noc(C)n3)C2)n(C)n1 ZINC000177590087 164907261 /nfs/dbraw/zinc/90/72/61/164907261.db2.gz XHADBYWCYQOODW-LBPRGKRZSA-N 0 0 346.391 0.840 10 0 ECAERN CNC(=O)[C@H](NC(=O)C(=O)Nc1cc(C2CCCC2)nn1C)C(C)C ZINC000183140319 164953415 /nfs/dbraw/zinc/95/34/15/164953415.db2.gz YLFWBQZNPPRRJZ-CQSZACIVSA-N 0 0 349.435 0.903 10 0 ECAERN CC(C)CC(=O)N[C@H](C(=O)NCc1nc(N(C)C)no1)C(C)C ZINC000187406394 164990234 /nfs/dbraw/zinc/99/02/34/164990234.db2.gz BBGTWVXTQBRYPD-ZDUSSCGKSA-N 0 0 325.413 0.939 10 0 ECAERN C[C@@H](CC(=O)N1CCN(c2cccnn2)CC1)N1CCCCC1=O ZINC000188844812 165002988 /nfs/dbraw/zinc/00/29/88/165002988.db2.gz WLWSFNPFASPMKX-AWEZNQCLSA-N 0 0 331.420 0.916 10 0 ECAERN C[C@H]([C@H](C)NC(=O)N1CC(NC(=O)C2CCC2)C1)N1CCOCC1 ZINC000188842423 165003500 /nfs/dbraw/zinc/00/35/00/165003500.db2.gz WCBPPMLAVLNKDK-QWHCGFSZSA-N 0 0 338.452 0.406 10 0 ECAERN C[C@H]1C(=O)NCCCN1C(=O)COc1ccc2ccc(=O)oc2c1 ZINC000188954945 165004517 /nfs/dbraw/zinc/00/45/17/165004517.db2.gz BZXLDKRFBSEEKW-NSHDSACASA-N 0 0 330.340 0.909 10 0 ECAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N[C@@H]1CCCN(c2cccc(F)c2)C1 ZINC000189035655 165005626 /nfs/dbraw/zinc/00/56/26/165005626.db2.gz KCDFEXXBSLHNAZ-DJIMGWMZSA-N 0 0 349.406 0.892 10 0 ECAERN CCNC(=O)NC1(C(=O)N2CC(NC(=O)C3CCC3)C2)CCCC1 ZINC000189222329 165006798 /nfs/dbraw/zinc/00/67/98/165006798.db2.gz RKKKSBQOFFZCTR-UHFFFAOYSA-N 0 0 336.436 0.745 10 0 ECAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1ccc2oc(N(C)C)nc2c1 ZINC000189311103 165008560 /nfs/dbraw/zinc/00/85/60/165008560.db2.gz GHCXFEPZHOFWBQ-DGCLKSJQSA-N 0 0 332.360 0.814 10 0 ECAERN Cc1ccc(S(=O)(=O)N[C@H]2CCc3ncnn3C2)c(Cl)n1 ZINC000189616705 165013585 /nfs/dbraw/zinc/01/35/85/165013585.db2.gz CCRHDKTUGNPTRI-VIFPVBQESA-N 0 0 327.797 0.928 10 0 ECAERN C[C@H]1C(=O)NCCCN1C(=O)NCc1ccc(Cn2cncn2)cc1 ZINC000191149810 165028506 /nfs/dbraw/zinc/02/85/06/165028506.db2.gz OZNHDFUBACYDRB-ZDUSSCGKSA-N 0 0 342.403 0.746 10 0 ECAERN CC(C)CC(=O)N1CCC(NC(=O)N2CCCNC(=O)[C@H]2C)CC1 ZINC000191332257 165030547 /nfs/dbraw/zinc/03/05/47/165030547.db2.gz MRFFYZBBZHRGQK-CYBMUJFWSA-N 0 0 338.452 0.944 10 0 ECAERN Cc1nc2ccccc2cc1C(=O)NC[C@@H](O)CN1CCOCC1 ZINC000192708344 165045790 /nfs/dbraw/zinc/04/57/90/165045790.db2.gz ZMYIBIXJOYJFJL-OAHLLOKOSA-N 0 0 329.400 0.966 10 0 ECAERN C[C@@H](NC(=O)CCc1nc2c([nH]1)n(C)c(=O)[nH]c2=O)c1cccs1 ZINC000194121883 165064039 /nfs/dbraw/zinc/06/40/39/165064039.db2.gz JKKAZRNPPOXPNG-MRVPVSSYSA-N 0 0 347.400 0.821 10 0 ECAERN NS(=O)(=O)c1cc(C(=O)N2CCN3CCCC[C@@H]3C2)cs1 ZINC000194761023 165071385 /nfs/dbraw/zinc/07/13/85/165071385.db2.gz MRBFYCCDQAVAHL-LLVKDONJSA-N 0 0 329.447 0.706 10 0 ECAERN CC(C)n1nnnc1CS(=O)(=O)[C@H](C)C(=O)NC1CCCC1 ZINC000195427745 165081189 /nfs/dbraw/zinc/08/11/89/165081189.db2.gz CFATUSWBFIRHII-SNVBAGLBSA-N 0 0 329.426 0.616 10 0 ECAERN CS(=O)(=O)c1nc(C(=O)N2CCN3CCC[C@@H]3C2)c2ccccn21 ZINC000195337730 165081449 /nfs/dbraw/zinc/08/14/49/165081449.db2.gz NNYFBNASZJHBDK-GFCCVEGCSA-N 0 0 348.428 0.658 10 0 ECAERN CC(C)CCNC(=O)[C@H](C)S(=O)(=O)Cc1nnnn1C(C)C ZINC000195429264 165082019 /nfs/dbraw/zinc/08/20/19/165082019.db2.gz UJEHJAHICLORGU-NSHDSACASA-N 0 0 331.442 0.720 10 0 ECAERN O=C(CN1CCO[C@H](c2nccs2)C1)NCC(=O)N1CCCC1 ZINC000195521659 165086269 /nfs/dbraw/zinc/08/62/69/165086269.db2.gz QZTACXWCYWNUBC-LBPRGKRZSA-N 0 0 338.433 0.255 10 0 ECAERN C[C@@H]1NC(C(=O)N[C@H]2CCCC[C@H]2CO)=NN(c2ccccc2)C1=O ZINC000246562417 165138400 /nfs/dbraw/zinc/13/84/00/165138400.db2.gz HIWAGFYJRFDKDS-YDHLFZDLSA-N 0 0 344.415 0.992 10 0 ECAERN COC[C@@H](C)S(=O)(=O)N1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC000246747782 165142769 /nfs/dbraw/zinc/14/27/69/165142769.db2.gz RRCVXEHIMBPEEM-RISCZKNCSA-N 0 0 330.454 0.972 10 0 ECAERN COC[C@@H](C)S(=O)(=O)N1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC000246747771 165143423 /nfs/dbraw/zinc/14/34/23/165143423.db2.gz RRCVXEHIMBPEEM-BXUZGUMPSA-N 0 0 330.454 0.972 10 0 ECAERN CN(CC(=O)N1CCC[C@@H]1C[C@@H](O)c1ccccc1)S(C)(=O)=O ZINC000246844250 165144371 /nfs/dbraw/zinc/14/43/71/165144371.db2.gz FBWUCSWQMVPQLP-HUUCEWRRSA-N 0 0 340.445 0.993 10 0 ECAERN Cc1cc(C(=O)N2CCN(C[C@H](C)O)[C@@H](C)C2)c2c(=O)[nH]n(C)c2n1 ZINC000246871271 165144935 /nfs/dbraw/zinc/14/49/35/165144935.db2.gz WDEPEXYGDDPKFD-RYUDHWBXSA-N 0 0 347.419 0.097 10 0 ECAERN CN(CC(=O)N1CCO[C@H]2CCCC[C@H]21)c1ncnc2nc[nH]c21 ZINC000249614223 165200580 /nfs/dbraw/zinc/20/05/80/165200580.db2.gz NURKVAPOCAGNKI-NEPJUHHUSA-N 0 0 330.392 0.959 10 0 ECAERN C[C@H]1OCCN[C@@H]1C(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000261878819 165257497 /nfs/dbraw/zinc/25/74/97/165257497.db2.gz FCHCCXHBENFSHN-YGSJXBCNSA-N 0 0 343.427 0.637 10 0 ECAERN CNC(=O)c1cccc(CCNC(=O)[C@@H](NC)c2cnn(C)c2)c1 ZINC000262539985 165360739 /nfs/dbraw/zinc/36/07/39/165360739.db2.gz NCWTXKWJDAHOED-HNNXBMFYSA-N 0 0 329.404 0.399 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)COc2c(C)nn(C)c2C)C1 ZINC000262687053 165375189 /nfs/dbraw/zinc/37/51/89/165375189.db2.gz AWVNYZBXOJJLHD-UHFFFAOYSA-N 0 0 338.408 0.469 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)CC2(CS(C)(=O)=O)CC2)C1 ZINC000262729197 165379239 /nfs/dbraw/zinc/37/92/39/165379239.db2.gz UEKOZKLYJJVKIX-UHFFFAOYSA-N 0 0 346.449 0.255 10 0 ECAERN COCc1cc(N2CCN([C@@H](C)C(N)=O)CC2)nc(C(C)(C)C)n1 ZINC000301783050 296891497 /nfs/dbraw/zinc/89/14/97/296891497.db2.gz JTNLEOBLDHDLPN-LBPRGKRZSA-N 0 0 335.452 0.916 10 0 ECAERN CCOC(=O)c1cnc2c(c(C)nn2C)c1N1CC[C@@H](C(N)=O)C1 ZINC000302011781 296894451 /nfs/dbraw/zinc/89/44/51/296894451.db2.gz CRHLUDDZNZIXBG-SNVBAGLBSA-N 0 0 331.376 0.765 10 0 ECAERN COc1cc2c(cc1F)ncnc2NC[C@@H](O)CN1CCOCC1 ZINC000302164828 296896310 /nfs/dbraw/zinc/89/63/10/296896310.db2.gz IWBKAVAJXQRBHX-LLVKDONJSA-N 0 0 336.367 0.883 10 0 ECAERN O=C(CNC(=O)c1cccnc1)N1CCCN(c2cccnn2)CC1 ZINC000164086718 226042966 /nfs/dbraw/zinc/04/29/66/226042966.db2.gz VKWWBXWAJPSRGK-UHFFFAOYSA-N 0 0 340.387 0.340 10 0 ECAERN Cc1nnc([C@@H]2CN(C(=O)NCCCC(C)(C)CO)CCO2)[nH]1 ZINC000122704933 222141988 /nfs/dbraw/zinc/14/19/88/222141988.db2.gz LKXSBKYQJSOAKD-LBPRGKRZSA-N 0 0 325.413 0.995 10 0 ECAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000124126106 222379168 /nfs/dbraw/zinc/37/91/68/222379168.db2.gz XWPZUUMLNCELAG-PWSUYJOCSA-N 0 0 343.391 0.568 10 0 ECAERN O=C(CNC(=O)c1ccc(F)cc1)N1CCO[C@H](Cn2cccn2)C1 ZINC000171878556 227330374 /nfs/dbraw/zinc/33/03/74/227330374.db2.gz CGUJHUVXARFDJT-HNNXBMFYSA-N 0 0 346.362 0.680 10 0 ECAERN O=C(N[C@H]1CCc2ncnn2C1)c1csc(-c2cnccn2)n1 ZINC000172002808 227414377 /nfs/dbraw/zinc/41/43/77/227414377.db2.gz CYTBLLBIZOSDEJ-VIFPVBQESA-N 0 0 327.373 0.936 10 0 ECAERN O[C@]1(c2cn[nH]n2)CCN(c2cc(N3CCSCC3)ncn2)C1 ZINC000284450852 264214533 /nfs/dbraw/zinc/21/45/33/264214533.db2.gz GPASAZYDJIBIIR-CQSZACIVSA-N 0 0 333.421 0.246 10 0 ECAERN CC(C)(C)c1cc(C(=O)N2CCC[C@](O)(Cn3ccnn3)C2)[nH]n1 ZINC000284532816 264224289 /nfs/dbraw/zinc/22/42/89/264224289.db2.gz GIODWNLJFWHAJG-MRXNPFEDSA-N 0 0 332.408 0.966 10 0 ECAERN O=c1c2ccccc2ncn1CCN1CC[C@](O)(c2cn[nH]n2)C1 ZINC000284789440 264237828 /nfs/dbraw/zinc/23/78/28/264237828.db2.gz LGZXKWJSEZAEAU-MRXNPFEDSA-N 0 0 326.360 0.108 10 0 ECAERN O=C(CN1CC[C@](O)(c2cn[nH]n2)C1)N1CCc2ccccc2C1 ZINC000284977911 264264194 /nfs/dbraw/zinc/26/41/94/264264194.db2.gz YNXLEDSYFOFUKD-QGZVFWFLSA-N 0 0 327.388 0.283 10 0 ECAERN NC(=O)[C@]1(O)CCCN(C(=O)c2cccc(Br)n2)C1 ZINC000285457196 264314717 /nfs/dbraw/zinc/31/47/17/264314717.db2.gz JTHDZHIQUAMGKG-LBPRGKRZSA-N 0 0 328.166 0.297 10 0 ECAERN O=C(NC1CN(C(=O)c2cc(Cl)ccc2-n2cnnn2)C1)C1CC1 ZINC000189375352 437596472 /nfs/dbraw/zinc/59/64/72/437596472.db2.gz NGXKAZGCSGUJGT-UHFFFAOYSA-N 0 0 346.778 0.666 10 0 ECAERN Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000189409151 437598771 /nfs/dbraw/zinc/59/87/71/437598771.db2.gz CVXDUXSNVFBZBI-UHFFFAOYSA-N 0 0 332.404 0.726 10 0 ECAERN Cc1nc2n(n1)C[C@H](NC(=O)c1cccc3c1OCC(=O)N3)CC2 ZINC000171498525 279143544 /nfs/dbraw/zinc/14/35/44/279143544.db2.gz NAMTWFLPZRZGDN-SNVBAGLBSA-N 0 0 327.344 0.662 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)C(=O)Nc2nc(C)cs2)CC1 ZINC000189472762 437603190 /nfs/dbraw/zinc/60/31/90/437603190.db2.gz DODVILOYKZDKSC-NSHDSACASA-N 0 0 326.422 0.305 10 0 ECAERN O=C1N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H]1Cc1ccc(O)cc1 ZINC000001650719 280299547 /nfs/dbraw/zinc/29/95/47/280299547.db2.gz NGPCLOGFGKJCBP-HZPDHXFCSA-N 0 0 326.352 0.866 10 0 in-vitro ECAERN CC(C)[C@H](NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O)C(N)=O ZINC000135526189 280307496 /nfs/dbraw/zinc/30/74/96/280307496.db2.gz RUMIKEFEFLLSKH-CABCVRRESA-N 0 0 346.431 0.987 10 0 ECAERN CCCN1Cc2cccc(NC(=O)C(=O)N[C@H](C(N)=O)C(C)C)c2C1 ZINC000189529692 437603848 /nfs/dbraw/zinc/60/38/48/437603848.db2.gz LXOHNPIUHHAMJQ-HNNXBMFYSA-N 0 0 346.431 0.977 10 0 ECAERN CCOCCN1CCN(C(=O)c2cc3c(cn2)nc[nH]c3=O)C[C@H]1C ZINC000189659333 437607507 /nfs/dbraw/zinc/60/75/07/437607507.db2.gz GHDAQNPMDXCTID-GFCCVEGCSA-N 0 0 345.403 0.501 10 0 ECAERN C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1cnn(CC(F)F)c1 ZINC000190089903 437617012 /nfs/dbraw/zinc/61/70/12/437617012.db2.gz SHSUVCMOBBZABC-CMPLNLGQSA-N 0 0 341.362 0.782 10 0 ECAERN CN(C)c1ccc(NC(=O)N2CCC[C@H](N3CCNCC3=O)C2)nc1 ZINC000333199836 297118022 /nfs/dbraw/zinc/11/80/22/297118022.db2.gz XJNKDPJJWVBZPB-AWEZNQCLSA-N 0 0 346.435 0.576 10 0 ECAERN Cn1c(=O)cc(C(=O)N2CC[C@]3(CNC(=O)C3)C2)c2ccccc21 ZINC000333307050 297123024 /nfs/dbraw/zinc/12/30/24/297123024.db2.gz MTKALTCISFSILX-SFHVURJKSA-N 0 0 325.368 0.891 10 0 ECAERN C[C@H](C(=O)N1CCS(=O)(=O)C2(CCCCC2)C1)N1CCOCC1 ZINC000333373374 297129245 /nfs/dbraw/zinc/12/92/45/297129245.db2.gz ZMBBXSGBBKNWOL-CQSZACIVSA-N 0 0 344.477 0.667 10 0 ECAERN O=C(Cn1nnc2ccccc2c1=O)N1CCC[C@H](c2nnc[nH]2)C1 ZINC000333445753 297135020 /nfs/dbraw/zinc/13/50/20/297135020.db2.gz KROXGLSAMUSJLZ-NSHDSACASA-N 0 0 339.359 0.316 10 0 ECAERN O=C(c1cc2c([nH]c1=O)CCCC2)N1CC[C@@H](N2CCOCC2)C1 ZINC000172764847 304506274 /nfs/dbraw/zinc/50/62/74/304506274.db2.gz SRMXHMSAICBVRG-CQSZACIVSA-N 0 0 331.416 0.800 10 0 ECAERN CN1CCN(C(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCc3cccnc32)CC1 ZINC000333461074 297136501 /nfs/dbraw/zinc/13/65/01/297136501.db2.gz LQVXGCHAWYHDDD-CVEARBPZSA-N 0 0 342.443 0.876 10 0 ECAERN CO[C@@H]1CN(C(=O)NCC(C)(C)C2(O)CCOCC2)C[C@H]1OC ZINC000333582796 297143092 /nfs/dbraw/zinc/14/30/92/297143092.db2.gz UJBFTLXOUTWIJA-CHWSQXEVSA-N 0 0 330.425 0.609 10 0 ECAERN CCn1cc([C@H]2OCC[C@@H]2NC(=O)N2C[C@H](F)C[C@H]2CO)cn1 ZINC000333708468 297148492 /nfs/dbraw/zinc/14/84/92/297148492.db2.gz LRGXRPVSLLPBNR-ZOBORPQBSA-N 0 0 326.372 0.847 10 0 ECAERN Cc1ccc(C2(C(=O)N3CCC[C@](O)(C(N)=O)C3)CCOCC2)cc1 ZINC000367009860 300586428 /nfs/dbraw/zinc/58/64/28/300586428.db2.gz OKXDRVAEYUQADR-LJQANCHMSA-N 0 0 346.427 0.882 10 0 ECAERN COc1ccc(C(=O)Cn2cnc3c2n(C)c(=O)[nH]c3=O)cc1OC ZINC000002684512 435968062 /nfs/dbraw/zinc/96/80/62/435968062.db2.gz YAKPBXAFNHFODT-UHFFFAOYSA-N 0 0 344.327 0.323 10 0 ECAERN Cc1nc(C)n([C@H]2CCCN(C(=O)Cc3nc4ncccn4n3)C2)n1 ZINC000072235445 436037815 /nfs/dbraw/zinc/03/78/15/436037815.db2.gz LNTTXEKLRQGBSF-ZDUSSCGKSA-N 0 0 340.391 0.739 10 0 ECAERN CCC1CCC(NS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CC1 ZINC000077617610 436245385 /nfs/dbraw/zinc/24/53/85/436245385.db2.gz CHKQHOSFCZIXPM-UHFFFAOYSA-N 0 0 329.422 0.331 10 0 ECAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)CNC(=O)OCC(F)(F)F ZINC000082976630 436363765 /nfs/dbraw/zinc/36/37/65/436363765.db2.gz XIUYRAOUYKPYQT-QMMMGPOBSA-N 0 0 335.286 0.826 10 0 ECAERN O=C(c1ccc(Br)o1)N1CC[C@@]2(C1)NC(=O)NC2=O ZINC000084796145 436385859 /nfs/dbraw/zinc/38/58/59/436385859.db2.gz CGRGTDBQLHBVOC-NSHDSACASA-N 0 0 328.122 0.466 10 0 ECAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)CS(=O)(=O)CC(C)C ZINC000087563486 436398184 /nfs/dbraw/zinc/39/81/84/436398184.db2.gz DAFSVDZNAYJEIO-NSHDSACASA-N 0 0 328.438 0.862 10 0 ECAERN Cc1ccc(-n2cnnn2)cc1NC(=O)NC[C@H](C)N1CCOCC1 ZINC000047927029 436432754 /nfs/dbraw/zinc/43/27/54/436432754.db2.gz WWFMANYZOGWNMY-ZDUSSCGKSA-N 0 0 345.407 0.813 10 0 ECAERN CC(=O)N(CCc1ccccc1)CC(=O)NC[C@H](C)N1CCOCC1 ZINC000090167689 436428674 /nfs/dbraw/zinc/42/86/74/436428674.db2.gz ZJGUSHWNFCXCIB-INIZCTEOSA-N 0 0 347.459 0.915 10 0 ECAERN COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)Cc1nc2ncccn2n1 ZINC000049635881 436469568 /nfs/dbraw/zinc/46/95/68/436469568.db2.gz FZGYNHJNJZASHC-AGIUHOORSA-N 0 0 343.387 1.000 10 0 ECAERN O[C@@H](Cn1cnc2c1ncnc2N1CCCC1)CN1CCOCC1 ZINC000092857408 436478722 /nfs/dbraw/zinc/47/87/22/436478722.db2.gz LJRMAFXABDFZOW-CYBMUJFWSA-N 0 0 332.408 0.120 10 0 ECAERN O=C1N[C@]2(C(=O)Nc3ccc(Br)cc32)N2CCOC[C@@H]12 ZINC000093884419 436490416 /nfs/dbraw/zinc/49/04/16/436490416.db2.gz OIBQUHGMKFHXII-GWCFXTLKSA-N 0 0 338.161 0.385 10 0 ECAERN Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)N1CCC[C@@H]1C(=O)N(C)C ZINC000109050107 436622950 /nfs/dbraw/zinc/62/29/50/436622950.db2.gz RFIQKTPGIKOUTO-CYBMUJFWSA-N 0 0 345.403 0.261 10 0 ECAERN Cc1cc(NC(=O)CN2CCCN(Cc3cnn(C)c3)CC2)no1 ZINC000105869022 436582969 /nfs/dbraw/zinc/58/29/69/436582969.db2.gz PMQNZXJZRISLQG-UHFFFAOYSA-N 0 0 332.408 0.863 10 0 ECAERN CN(CC(F)(F)F)C(=O)CN1CCCN(Cc2cnn(C)c2)CC1 ZINC000105869878 436583257 /nfs/dbraw/zinc/58/32/57/436583257.db2.gz QIJFKMJSFUGNLO-UHFFFAOYSA-N 0 0 347.385 0.949 10 0 ECAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)[C@@H](C)NS(C)(=O)=O ZINC000105882101 436585021 /nfs/dbraw/zinc/58/50/21/436585021.db2.gz KQIWQEJBOYRYBK-PWSUYJOCSA-N 0 0 328.438 0.638 10 0 ECAERN CCOCCCNC(=O)[C@@H](C)N1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000105892292 436585431 /nfs/dbraw/zinc/58/54/31/436585431.db2.gz KLFWIYJOUUJRCD-CVEARBPZSA-N 0 0 338.452 0.824 10 0 ECAERN C[C@@H](C(=O)NC[C@@H]1CCCO1)N1CCCN(c2cccnn2)CC1 ZINC000105909151 436586461 /nfs/dbraw/zinc/58/64/61/436586461.db2.gz ZREDIBDVMVWNIN-GJZGRUSLSA-N 0 0 333.436 0.672 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)[C@H]2Cc3ccccc3C(=O)O2)CC1 ZINC000106397990 436594090 /nfs/dbraw/zinc/59/40/90/436594090.db2.gz IOSUNHNBCGJSSW-GDBMZVCRSA-N 0 0 332.400 0.683 10 0 ECAERN CN(C)[C@H](Cc1ccccc1)C(=O)NCC(=O)NCC(F)(F)F ZINC000106459229 436595766 /nfs/dbraw/zinc/59/57/66/436595766.db2.gz WDURZWKHMCYABT-GFCCVEGCSA-N 0 0 331.338 0.954 10 0 ECAERN CN1CCO[C@H](CNC(=O)c2cc3c([nH]c2=O)CC(C)(C)CC3=O)C1 ZINC000106912962 436604775 /nfs/dbraw/zinc/60/47/75/436604775.db2.gz WBBPEBOPUOFRQJ-LLVKDONJSA-N 0 0 347.415 0.590 10 0 ECAERN COC(=O)NCCCC(=O)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000107596397 436613031 /nfs/dbraw/zinc/61/30/31/436613031.db2.gz MCJZKESMKYMRPY-UHFFFAOYSA-N 0 0 337.424 0.591 10 0 ECAERN CCOc1ccnc(N2CCN(CC(=O)NCC3CCC3)CC2)n1 ZINC000108867693 436621274 /nfs/dbraw/zinc/62/12/74/436621274.db2.gz CMMUKMFRPQTJPZ-UHFFFAOYSA-N 0 0 333.436 0.914 10 0 ECAERN CC(C)(C)n1ncc2c1nc(N[C@H]1CCc3ncnn3C1)[nH]c2=O ZINC000108948099 436621328 /nfs/dbraw/zinc/62/13/28/436621328.db2.gz WCUNHBCTODZOET-VIFPVBQESA-N 0 0 328.380 0.893 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1ccc(N3CCCC3)nn1)CC2 ZINC000114873077 436644520 /nfs/dbraw/zinc/64/45/20/436644520.db2.gz YYKLREADNORXPI-LBPRGKRZSA-N 0 0 341.419 0.976 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)CCn1c(C)csc1=O)CC2 ZINC000114870366 436644585 /nfs/dbraw/zinc/64/45/85/436644585.db2.gz RVMYHMPOTVUUDC-NSHDSACASA-N 0 0 335.433 0.893 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)NCc1cccc(C(N)=O)c1)CC2 ZINC000114928673 436645246 /nfs/dbraw/zinc/64/52/46/436645246.db2.gz YHQXYSDJJKBCSU-CYBMUJFWSA-N 0 0 342.403 0.754 10 0 ECAERN COCCCS(=O)(=O)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000115581088 436647946 /nfs/dbraw/zinc/64/79/46/436647946.db2.gz ODXROQIIQABNIU-UHFFFAOYSA-N 0 0 330.454 0.294 10 0 ECAERN CN1CCO[C@H](CNC(=O)NC[C@](C)(O)c2ccc(F)cc2F)C1 ZINC000114526739 436642584 /nfs/dbraw/zinc/64/25/84/436642584.db2.gz BQOOCUBJOOIZRW-WBMJQRKESA-N 0 0 343.374 0.802 10 0 ECAERN COCCN1CCN(C(=O)N[C@@H]2CCN(C(C)C)C2=O)C[C@H]1C ZINC000117497678 436658022 /nfs/dbraw/zinc/65/80/22/436658022.db2.gz XHITZKGFFIEORC-ZIAGYGMSSA-N 0 0 326.441 0.358 10 0 ECAERN CN(C)c1nc2cc(NC(=O)C(=O)N3CCC[C@H]3CO)ccc2o1 ZINC000120933742 436703664 /nfs/dbraw/zinc/70/36/64/436703664.db2.gz YRYKJPAJXRVYET-NSHDSACASA-N 0 0 332.360 0.816 10 0 ECAERN C[C@@H](NS(=O)(=O)CCCS(=O)(=O)N[C@@H](C)C1CC1)C1CC1 ZINC000195059564 436677472 /nfs/dbraw/zinc/67/74/72/436677472.db2.gz KVRWKXDVBJJHTB-PHIMTYICSA-N 0 0 338.495 0.812 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)c2ccc(-n3ccnn3)cc2)CC1 ZINC000120319281 436684030 /nfs/dbraw/zinc/68/40/30/436684030.db2.gz SFOXGYQAODJHPF-INIZCTEOSA-N 0 0 329.404 0.796 10 0 ECAERN Cc1cnn(CCNS(=O)(=O)c2ccc(C(=O)N(C)C)cc2)c1 ZINC000195265727 436685756 /nfs/dbraw/zinc/68/57/56/436685756.db2.gz FTEVYBCRNKJHCQ-UHFFFAOYSA-N 0 0 336.417 0.872 10 0 ECAERN C[C@@H]1CN(C(=O)CCc2nc(C3CCCC3)no2)C[C@H](C(N)=O)O1 ZINC000122412764 436735639 /nfs/dbraw/zinc/73/56/39/436735639.db2.gz UYJRPPUDNQKVJU-ZYHUDNBSSA-N 0 0 336.392 0.761 10 0 ECAERN Cc1ccc([C@H](C)NC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)o1 ZINC000069142032 436763663 /nfs/dbraw/zinc/76/36/63/436763663.db2.gz HSFDYSDXDGPPOA-LSDHHAIUSA-N 0 0 349.431 0.946 10 0 ECAERN COCCc1cc(NC(=O)NC[C@H](C)N2CCOCC2)n(C)n1 ZINC000128013197 436810244 /nfs/dbraw/zinc/81/02/44/436810244.db2.gz JCSQJSGPSOUCID-LBPRGKRZSA-N 0 0 325.413 0.451 10 0 ECAERN Cc1nnc([C@H]2CN(C(=O)c3cccc(-n4ccnn4)c3)CCO2)[nH]1 ZINC000154001208 436769265 /nfs/dbraw/zinc/76/92/65/436769265.db2.gz JQDQWDGLEATFLE-CQSZACIVSA-N 0 0 339.359 0.908 10 0 ECAERN CN1CCO[C@@H](CNC(=O)N[C@H]2CCCN(c3ccccc3)C2=O)C1 ZINC000246710909 436784138 /nfs/dbraw/zinc/78/41/38/436784138.db2.gz LHQYDJZCGOADQT-HOTGVXAUSA-N 0 0 346.431 0.812 10 0 ECAERN CNC(=O)c1cccc(CCNC(=O)N[C@H]2CCc3ncnn3C2)c1 ZINC000155351015 436794746 /nfs/dbraw/zinc/79/47/46/436794746.db2.gz JBKCDTXXORUPBW-AWEZNQCLSA-N 0 0 342.403 0.494 10 0 ECAERN CNC(=O)c1cccc(C(=O)N2CCOC[C@@H]2c2nc(C)no2)c1 ZINC000155476342 436796118 /nfs/dbraw/zinc/79/61/18/436796118.db2.gz YQCZFVSEQYUJTH-CYBMUJFWSA-N 0 0 330.344 0.951 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)N[C@H](C)[C@H](C)N2CCOCC2)CC1 ZINC000248486706 436803441 /nfs/dbraw/zinc/80/34/41/436803441.db2.gz LKUIJKNNGVMKKW-PMPSAXMXSA-N 0 0 342.484 0.194 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)Cn1c(C)cc(O)cc1=O)CC2 ZINC000130629676 436840699 /nfs/dbraw/zinc/84/06/99/436840699.db2.gz ZTWBFQNRZCXFAR-NSHDSACASA-N 0 0 331.376 0.147 10 0 ECAERN Cc1nccn1CC(=O)N[C@@H]1CN(Cc2ccccn2)C[C@H]1CO ZINC000253414093 436844391 /nfs/dbraw/zinc/84/43/91/436844391.db2.gz WLRRUGCCBKEVGG-GOEBONIOSA-N 0 0 329.404 0.196 10 0 ECAERN COCc1noc([C@@H]2CC(F)(F)CN2C(=O)CN2CCOCC2)n1 ZINC000257190030 436856642 /nfs/dbraw/zinc/85/66/42/436856642.db2.gz OHXXJILHCJNDSR-JTQLQIEISA-N 0 0 346.334 0.457 10 0 ECAERN Cc1ccc2cc(C(=O)NC[C@H](O)CN3CCOCC3)ccc2n1 ZINC000132559927 436867762 /nfs/dbraw/zinc/86/77/62/436867762.db2.gz QLJXZVVBFUUQME-INIZCTEOSA-N 0 0 329.400 0.966 10 0 ECAERN Cc1ccccc1OCCCC(=O)NC[C@H](O)CN1CCOCC1 ZINC000129007683 436822826 /nfs/dbraw/zinc/82/28/26/436822826.db2.gz DIKPNPJEPFHHEF-INIZCTEOSA-N 0 0 336.432 0.963 10 0 ECAERN C[C@@H]1CCNC(=O)[C@@H]1NC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 ZINC000249637781 436825709 /nfs/dbraw/zinc/82/57/09/436825709.db2.gz XBOYBMUJYRNFCJ-UCDYDWOKSA-N 0 0 347.390 0.986 10 0 ECAERN CC(C)(C)OC[C@@H](O)CN1CCc2cc(S(N)(=O)=O)ccc21 ZINC000157373538 436828339 /nfs/dbraw/zinc/82/83/39/436828339.db2.gz VAGHCBGXUBHDDM-LBPRGKRZSA-N 0 0 328.434 0.873 10 0 ECAERN CCc1n[nH]c(=O)c(C(=O)N2CC[C@H](N3CCOCC3)C2)c1CC ZINC000135908159 436925481 /nfs/dbraw/zinc/92/54/81/436925481.db2.gz NUQCTFWFTIMVPG-LBPRGKRZSA-N 0 0 334.420 0.441 10 0 ECAERN CC(=O)NCCNC(=O)c1ccc(C(=O)Nc2ccccc2N)nc1 ZINC000135863263 436925992 /nfs/dbraw/zinc/92/59/92/436925992.db2.gz AVJUQYGMHKNNTA-UHFFFAOYSA-N 0 0 341.371 0.782 10 0 ECAERN CCCCn1nccc1NC(=O)C(=O)NC[C@H](C)N1CCOCC1 ZINC000134089928 436889391 /nfs/dbraw/zinc/88/93/91/436889391.db2.gz ITALAOJGVRLILP-ZDUSSCGKSA-N 0 0 337.424 0.459 10 0 ECAERN Cc1nn(C)c(C)c1OCC(=O)N[C@H]1CCCN(c2cccnn2)C1 ZINC000134130101 436891319 /nfs/dbraw/zinc/89/13/19/436891319.db2.gz XFIQUPNXPNJSKS-AWEZNQCLSA-N 0 0 344.419 0.991 10 0 ECAERN NC(=O)c1cc([C@H]2CCCN(C(=O)[C@H]3CC(F)(F)CN3)C2)n[nH]1 ZINC000263310230 436962586 /nfs/dbraw/zinc/96/25/86/436962586.db2.gz YLIZBEZVLVZXOP-GZMMTYOYSA-N 0 0 327.335 0.212 10 0 ECAERN CN1CCO[C@H](CNC(=O)NCCNC(=O)c2ccccc2F)C1 ZINC000170924393 436962623 /nfs/dbraw/zinc/96/26/23/436962623.db2.gz VUVFUTSVAZXOJF-GFCCVEGCSA-N 0 0 338.383 0.185 10 0 ECAERN C[C@H]1OCC[C@@H]1S(=O)(=O)NC1CC([N@@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263509003 436969027 /nfs/dbraw/zinc/96/90/27/436969027.db2.gz WWGMMHIFVBTWCM-OFVDZJKFSA-N 0 0 346.449 0.411 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)N(C)CC2(O)CCCC2)C1 ZINC000263511755 436969596 /nfs/dbraw/zinc/96/95/96/436969596.db2.gz ZATCKQRZGWZYNR-UHFFFAOYSA-N 0 0 327.425 0.870 10 0 ECAERN CC(C)c1nnc2n1C[C@H](Nc1ncc(S(N)(=O)=O)s1)CC2 ZINC000171363862 436978340 /nfs/dbraw/zinc/97/83/40/436978340.db2.gz HXIOLGSFYGZCGH-MRVPVSSYSA-N 0 0 342.450 0.932 10 0 ECAERN Nc1ccccc1NC(=O)c1ccc(C(=O)NCCOCCO)cn1 ZINC000165280746 436936573 /nfs/dbraw/zinc/93/65/73/436936573.db2.gz XVBZBTBQUWHXLI-UHFFFAOYSA-N 0 0 344.371 0.655 10 0 ECAERN COc1cc(NC(=O)NC2CC([N@@H+](CC(=O)[O-])CC3CC3)C2)ncn1 ZINC000262969921 436946444 /nfs/dbraw/zinc/94/64/44/436946444.db2.gz AEMAGZOKQGKAOK-UHFFFAOYSA-N 0 0 349.391 0.934 10 0 ECAERN O=C(Cc1ccccc1)N1CCN(C(=O)[C@@H]2CC(F)(F)CN2)CC1 ZINC000262960194 436946580 /nfs/dbraw/zinc/94/65/80/436946580.db2.gz KQWCKEJDBHESKH-AWEZNQCLSA-N 0 0 337.370 0.897 10 0 ECAERN CCCC(=O)N[C@H]1CCCN(C(=O)NCCCN2CCOCC2)C1 ZINC000170743574 436951661 /nfs/dbraw/zinc/95/16/61/436951661.db2.gz RVGHIPNHBZSMCA-HNNXBMFYSA-N 0 0 340.468 0.799 10 0 ECAERN Cc1noc2nc(C(C)C)cc(C(=O)N3CCOC[C@@H]3C(N)=O)c12 ZINC000091779106 302858053 /nfs/dbraw/zinc/85/80/53/302858053.db2.gz WNCBDYQVYRPKQP-GFCCVEGCSA-N 0 0 332.360 0.981 10 0 ECAERN NS(=O)(=O)CCCN1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000170914526 436961089 /nfs/dbraw/zinc/96/10/89/436961089.db2.gz JXUZXALNUUAVHX-LBPRGKRZSA-N 0 0 327.454 0.820 10 0 ECAERN Cc1cc(C)n2nc(C(=O)N3CC[C@@H](N4CCOCC4)C3)nc2n1 ZINC000172757391 437029056 /nfs/dbraw/zinc/02/90/56/437029056.db2.gz HRNHEHKXMYJXJL-CYBMUJFWSA-N 0 0 330.392 0.288 10 0 ECAERN CN1CCO[C@@H](CNC(=O)CNC(=O)c2cc3ccccc3[nH]2)C1 ZINC000172922053 437032916 /nfs/dbraw/zinc/03/29/16/437032916.db2.gz MUYAEHUSMUGHSI-ZDUSSCGKSA-N 0 0 330.388 0.345 10 0 ECAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)NCCNS(C)(=O)=O ZINC000172067675 436997761 /nfs/dbraw/zinc/99/77/61/436997761.db2.gz NHQOEFFCPOWVOG-LBPRGKRZSA-N 0 0 343.453 0.433 10 0 ECAERN CCc1nnc([C@@H]2CN(S(=O)(=O)N3CCCCCC3)CCO2)[nH]1 ZINC000173738696 437062130 /nfs/dbraw/zinc/06/21/30/437062130.db2.gz VZAIVUWCKYUKPO-LBPRGKRZSA-N 0 0 343.453 0.861 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)C(=O)NCc1ccc(F)cc1)CC2 ZINC000173768396 437062970 /nfs/dbraw/zinc/06/29/70/437062970.db2.gz KLUZWDPNFQLVNQ-CYBMUJFWSA-N 0 0 345.378 0.727 10 0 ECAERN COCCS(=O)(=O)NC[C@@H](c1ccc(C)s1)N1CCOCC1 ZINC000175216166 437096498 /nfs/dbraw/zinc/09/64/98/437096498.db2.gz PHCKUDDJVSMOGO-ZDUSSCGKSA-N 0 0 348.490 0.996 10 0 ECAERN NC(=O)[C@@H]1COCCN1Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000092229731 303308409 /nfs/dbraw/zinc/30/84/09/303308409.db2.gz DKSZPTUFGIHPRU-INIZCTEOSA-N 0 0 331.416 0.999 10 0 ECAERN C[C@@H]1CN(C(=O)NCCCN2CCOCC2)C[C@@H]1N1CCOCC1 ZINC000175609776 437110039 /nfs/dbraw/zinc/11/00/39/437110039.db2.gz STWMNACOLIKXRI-CVEARBPZSA-N 0 0 340.468 0.071 10 0 ECAERN CN(Cc1ccco1)C(=O)CN1C[C@@H](C(N)=O)[C@H](C(F)(F)F)C1 ZINC000299746353 437110875 /nfs/dbraw/zinc/11/08/75/437110875.db2.gz WUKNGNUFJHGQDY-GHMZBOCLSA-N 0 0 333.310 0.834 10 0 ECAERN CN(CC(C)(C)S(C)(=O)=O)C1=NS(=O)(=O)c2ccccc21 ZINC000301868825 437132990 /nfs/dbraw/zinc/13/29/90/437132990.db2.gz IATULEGYDOUWFX-UHFFFAOYSA-N 0 0 330.431 0.891 10 0 ECAERN CCC1(CC)CN(c2ncccc2S(N)(=O)=O)CC[S@@]1=O ZINC000302228369 437140330 /nfs/dbraw/zinc/14/03/30/437140330.db2.gz VOYQUJBBXSNDHW-FQEVSTJZSA-N 0 0 331.463 0.857 10 0 ECAERN CO[C@H]1C[C@H](CO)N(CC(=O)Nc2ccc(Br)cn2)C1 ZINC000312806456 437172792 /nfs/dbraw/zinc/17/27/92/437172792.db2.gz KZMHDARFLJRAKR-MNOVXSKESA-N 0 0 344.209 0.864 10 0 ECAERN CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCCCN(C)S(=O)(=O)CC ZINC000177410589 437183102 /nfs/dbraw/zinc/18/31/02/437183102.db2.gz STODVVIYXVKDDC-AWEZNQCLSA-N 0 0 348.513 0.784 10 0 ECAERN C[C@H](C(=O)N[C@H]1CCCn2ncnc21)N1C(=O)c2ccccc2C1=O ZINC000177572495 437189274 /nfs/dbraw/zinc/18/92/74/437189274.db2.gz VIYRQJWRFBCLBJ-MFKMUULPSA-N 0 0 339.355 0.914 10 0 ECAERN CNC(=O)[C@H](NC(=O)NCCCNC(=O)c1cccs1)C(C)C ZINC000178448583 437216064 /nfs/dbraw/zinc/21/60/64/437216064.db2.gz PDPYCJXLUNENFH-GFCCVEGCSA-N 0 0 340.449 0.938 10 0 ECAERN CNC(=O)[C@H](NC(=O)NC[C@H](C(C)C)N1CCOCC1)C(C)C ZINC000178447019 437216116 /nfs/dbraw/zinc/21/61/16/437216116.db2.gz AGVJHILMZBISJS-ZIAGYGMSSA-N 0 0 328.457 0.413 10 0 ECAERN O=C(NC[C@H](O)CN1CCOCC1)[C@@H]1C[C@@]12CCc1ccccc12 ZINC000179481107 437266373 /nfs/dbraw/zinc/26/63/73/437266373.db2.gz RTHOVEQYNUGRGS-VDZJLULYSA-N 0 0 330.428 0.700 10 0 ECAERN Cc1nnc(CN(C)[C@@H]2CN(Cc3cccc4c3OCO4)C[C@H]2O)o1 ZINC000328622963 437241991 /nfs/dbraw/zinc/24/19/91/437241991.db2.gz BQIYMJCXWWUNJO-ZIAGYGMSSA-N 0 0 346.387 0.784 10 0 ECAERN F[C@H]1C[C@@H](CNc2ccc3nnnn3n2)N(Cc2nccs2)C1 ZINC000328629715 437242464 /nfs/dbraw/zinc/24/24/64/437242464.db2.gz IOFFBARRKQJWQR-UWVGGRQHSA-N 0 0 334.384 1.000 10 0 ECAERN Cc1ccc(NC(=O)C(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)cn1 ZINC000180259432 437285927 /nfs/dbraw/zinc/28/59/27/437285927.db2.gz CCVHGPQSWDXHAL-WFASDCNBSA-N 0 0 332.404 0.508 10 0 ECAERN Cc1cnn(CCNC(=O)C(=O)Nc2ccc3c(c2)N(C)CC3)c1 ZINC000180589541 437294572 /nfs/dbraw/zinc/29/45/72/437294572.db2.gz BJYXUAZVHCPJSB-UHFFFAOYSA-N 0 0 327.388 0.939 10 0 ECAERN CC(C)c1nc2c(n1C)CCN(C(=O)C(=O)Nc1cnn(C)c1)C2 ZINC000182803956 437362872 /nfs/dbraw/zinc/36/28/72/437362872.db2.gz OQIBKFFRYFJHAG-UHFFFAOYSA-N 0 0 330.392 0.800 10 0 ECAERN CC[C@@H]1CCCC[C@@H]1OCC(=O)NC[C@H](O)CN1CCOCC1 ZINC000184760845 437411801 /nfs/dbraw/zinc/41/18/01/437411801.db2.gz HTDVGRGVXZNRGK-PMPSAXMXSA-N 0 0 328.453 0.781 10 0 ECAERN Cc1nccc(N2CCN(C(=O)N[C@H]3CCc4ncnn4C3)CC2)n1 ZINC000185005134 437422435 /nfs/dbraw/zinc/42/24/35/437422435.db2.gz JLZQGEIVSYRXJH-ZDUSSCGKSA-N 0 0 342.407 0.223 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)NCCN2CCOC(C)(C)C2)CC1 ZINC000185017041 437422481 /nfs/dbraw/zinc/42/24/81/437422481.db2.gz BWKBIVANKCNZIG-HNNXBMFYSA-N 0 0 342.484 0.195 10 0 ECAERN COCC(=O)NC1CN(C(=O)c2cn(-c3ccccc3)nc2C)C1 ZINC000185267937 437431836 /nfs/dbraw/zinc/43/18/36/437431836.db2.gz RRUSCVBKOUDPOY-UHFFFAOYSA-N 0 0 328.372 0.768 10 0 ECAERN O=C(c1cccnc1NC[C@H](O)CN1CCOCC1)N1CCCCC1 ZINC000269260429 437475467 /nfs/dbraw/zinc/47/54/67/437475467.db2.gz AEOAOGUGNAOBIW-HNNXBMFYSA-N 0 0 348.447 0.813 10 0 ECAERN COCC(=O)NC1CN(C(=O)c2cc(-c3ccc(C)cc3)n[nH]2)C1 ZINC000185298161 437435071 /nfs/dbraw/zinc/43/50/71/437435071.db2.gz WXMWUHIBHNUIHY-UHFFFAOYSA-N 0 0 328.372 0.972 10 0 ECAERN COCC(=O)NC1CN(C(=O)N[C@@H]2CCCN(c3ccccc3)C2)C1 ZINC000185442040 437439561 /nfs/dbraw/zinc/43/95/61/437439561.db2.gz PJZNWPJJDUBUCX-CQSZACIVSA-N 0 0 346.431 0.812 10 0 ECAERN CNS(=O)(=O)c1ccc(C(=O)N2CCC(c3cc[nH]n3)CC2)cn1 ZINC000185800907 437451544 /nfs/dbraw/zinc/45/15/44/437451544.db2.gz JPTMLSZPQINQAR-UHFFFAOYSA-N 0 0 349.416 0.733 10 0 ECAERN COCC(=O)NC1CN(C(=O)c2ccc(N3CCC(C)CC3)nc2)C1 ZINC000186310276 437469452 /nfs/dbraw/zinc/46/94/52/437469452.db2.gz RQMNZFLUHAKUIZ-UHFFFAOYSA-N 0 0 346.431 0.905 10 0 ECAERN CC(=O)N1CC(C(=O)N2CCN(Cc3cnn(C(C)(C)C)c3)CC2)C1 ZINC000188455527 437549235 /nfs/dbraw/zinc/54/92/35/437549235.db2.gz JLASPRCGROWQSC-UHFFFAOYSA-N 0 0 347.463 0.761 10 0 ECAERN CS(=O)(=O)c1csc(C(=O)N2CC(NC(=O)C3CCC3)C2)c1 ZINC000188554668 437556210 /nfs/dbraw/zinc/55/62/10/437556210.db2.gz PCZWTMVOSFUWQL-UHFFFAOYSA-N 0 0 342.442 0.892 10 0 ECAERN O=C(NC1CN(C(=O)N[C@@H]2CCN(c3ccccn3)C2)C1)C1CCC1 ZINC000188907551 437575138 /nfs/dbraw/zinc/57/51/38/437575138.db2.gz PIOWFMGHNGSEEG-CQSZACIVSA-N 0 0 343.431 0.970 10 0 ECAERN CCOc1ccnc(N2CCN(C(=O)CCc3cncn3C)CC2)n1 ZINC000188935700 437576466 /nfs/dbraw/zinc/57/64/66/437576466.db2.gz GVTXFUYJIZEYMX-UHFFFAOYSA-N 0 0 344.419 0.890 10 0 ECAERN CC(=O)NC1CN(C(=O)[C@@H]2CCCN(C(=O)c3ccncc3)C2)C1 ZINC000190446477 437626323 /nfs/dbraw/zinc/62/63/23/437626323.db2.gz LHSXETKYMMTPQG-CQSZACIVSA-N 0 0 330.388 0.281 10 0 ECAERN CCn1cc([C@H]2CN(C(=O)C(=O)Nc3cccnc3)CCO2)cn1 ZINC000190529326 437628317 /nfs/dbraw/zinc/62/83/17/437628317.db2.gz YRZWQMOSBHDLIO-CQSZACIVSA-N 0 0 329.360 0.837 10 0 ECAERN COc1cc(S(=O)(=O)N[C@@H]2CCc3ncnn3C2)ccc1F ZINC000190655910 437634007 /nfs/dbraw/zinc/63/40/07/437634007.db2.gz XULFIEIYWVXWQU-SECBINFHSA-N 0 0 326.353 0.719 10 0 ECAERN C[C@@H](C(=O)N(C)C)S(=O)(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000192007751 437659143 /nfs/dbraw/zinc/65/91/43/437659143.db2.gz AWXHSYLSYDERNV-GXTWGEPZSA-N 0 0 327.450 0.685 10 0 ECAERN Cc1cccc2c1N(C(=O)C(=O)NC[C@@H](C)N1CCOCC1)CC2 ZINC000193590723 437710783 /nfs/dbraw/zinc/71/07/83/437710783.db2.gz NCKHZQAQWMBWFZ-CQSZACIVSA-N 0 0 331.416 0.721 10 0 ECAERN CO[C@H]1C[C@H](C(=O)NC2C[C@@H](C)C[C@H](C)C2)N(S(C)(=O)=O)C1 ZINC000365531786 437927404 /nfs/dbraw/zinc/92/74/04/437927404.db2.gz DCOZKDNPZXMVRV-AUZPSNTRSA-N 0 0 332.466 0.976 10 0 ECAERN CCOC1CC(C(=O)N2CC[C@@H](Nc3ccc4nccn4n3)C2)C1 ZINC000377277971 438307994 /nfs/dbraw/zinc/30/79/94/438307994.db2.gz UXWFBRJDSFUXBM-ROKHWSDSSA-N 0 0 329.404 1.557 10 0 ECAERN CNC(=O)[C@@H]1CCCN(S(=O)(=O)[C@@H]2CCC[C@@H]2C(=O)OC)C1 ZINC000389627117 438427732 /nfs/dbraw/zinc/42/77/32/438427732.db2.gz STNFXLJMYGHGDM-GRYCIOLGSA-N 0 0 332.422 0.116 10 0 ECAERN Cn1cc(C(=O)N2CCC[C@@](O)(c3cn[nH]n3)C2)c(C(C)(C)C)n1 ZINC000583619046 439487614 /nfs/dbraw/zinc/48/76/14/439487614.db2.gz ZOEGBWDLPUITHF-INIZCTEOSA-N 0 0 332.408 0.960 10 0 ECAERN CC(=O)N[C@@H]1CC[C@@H](C(F)(F)F)N(C(=O)C2=NN(C)C(=O)CC2)C1 ZINC000583621137 439488578 /nfs/dbraw/zinc/48/85/78/439488578.db2.gz AWACBNFRZLJYDI-KOLCDFICSA-N 0 0 348.325 0.653 10 0 ECAERN CN(Cc1ccc(F)cc1)C(=O)CN1CCC[C@@](O)(c2cn[nH]n2)C1 ZINC000583617917 439489453 /nfs/dbraw/zinc/48/94/53/439489453.db2.gz JWSHOTRLSHEBRA-KRWDZBQOSA-N 0 0 347.394 0.886 10 0 ECAERN CCOC(=O)c1cccc([C@H]2COCCN(S(N)(=O)=O)C2)c1 ZINC000616662515 439820728 /nfs/dbraw/zinc/82/07/28/439820728.db2.gz BJZNBNBMWZQZMQ-CYBMUJFWSA-N 0 0 328.390 0.483 10 0 ECAERN COc1ccc(O[C@@H]2O[C@@H](CO)[C@@H]3OC(C)(C)O[C@H]3[C@@H]2O)cc1 ZINC000616588648 439820738 /nfs/dbraw/zinc/82/07/38/439820738.db2.gz IFIVVNHQGPJZBP-YYFQZIEXSA-N 0 0 326.345 0.672 10 0 ECAERN C[C@H](C(=O)N1C[C@H]2OCCN(C)[C@H]2C1)N1C(=O)c2ccccc2C1=O ZINC000643834883 440350351 /nfs/dbraw/zinc/35/03/51/440350351.db2.gz ZZYRAZQEGMTQPV-BYCMXARLSA-N 0 0 343.383 0.213 10 0 ECAERN CC(=O)N[C@H](CC1CCC1)C(=O)N1CC(OCc2nc(C)no2)C1 ZINC000644222191 440479033 /nfs/dbraw/zinc/47/90/33/440479033.db2.gz KTTVPWHKEPOCHC-CQSZACIVSA-N 0 0 336.392 0.800 10 0 ECAERN COc1cccc2c1CCN(C(=O)CN1CCCC[C@@H](O)C1=O)C2 ZINC000644424427 440582999 /nfs/dbraw/zinc/58/29/99/440582999.db2.gz AITMTLXTXAQDQD-OAHLLOKOSA-N 0 0 332.400 0.953 10 0 ECAERN CN1CCS(=O)(=O)C[C@H]1CC(=O)NCc1cc(F)ccc1F ZINC000644338159 440534646 /nfs/dbraw/zinc/53/46/46/440534646.db2.gz DTAKMMDYTNOENH-GFCCVEGCSA-N 0 0 332.372 0.700 10 0 ECAERN CO[C@@H]1COC[C@@H]1NC(=O)N1CCC[C@@H]1c1ccc(N(C)C)nn1 ZINC000644508107 440632219 /nfs/dbraw/zinc/63/22/19/440632219.db2.gz BXHSVGOXKMKKFW-BFHYXJOUSA-N 0 0 335.408 0.803 10 0 ECAERN O=C(c1ccc(Br)cn1)N1C[C@@H](O)[C@H](n2ccnn2)C1 ZINC000630014506 440830920 /nfs/dbraw/zinc/83/09/20/440830920.db2.gz PPMRUXSORCLTCY-GHMZBOCLSA-N 0 0 338.165 0.494 10 0 ECAERN Cc1cnn(C[C@H]2CN(S(=O)(=O)N3CCC[C@@H]3C)CCO2)c1 ZINC000184985965 320535175 /nfs/dbraw/zinc/53/51/75/320535175.db2.gz QQLYIHCACHIGTM-KBPBESRZSA-N 0 0 328.438 0.621 10 0 ECAERN C[C@H]1NC(=O)CC[C@H]1NC(=O)CCn1c2ccccc2n(C)c1=O ZINC000281684545 320597613 /nfs/dbraw/zinc/59/76/13/320597613.db2.gz DKEXALBZNAUYAF-VXGBXAGGSA-N 0 0 330.388 0.513 10 0 ECAERN C[C@@H](Sc1nncn1C)C(=O)N1CCN[C@H](c2cccnc2)C1 ZINC000328657807 320725641 /nfs/dbraw/zinc/72/56/41/320725641.db2.gz PVEKXRKACBOYDL-YPMHNXCESA-N 0 0 332.433 0.864 10 0 ECAERN O=S(=O)(c1ccc(N2CC(n3ccnn3)C2)nc1)N1CCCCC1 ZINC000328689392 320727544 /nfs/dbraw/zinc/72/75/44/320727544.db2.gz IAPVGCLOFZSDHV-UHFFFAOYSA-N 0 0 348.432 0.909 10 0 ECAERN CS(=O)(=O)NC[C@H]1CCCN(C(=O)C[C@H]2CCCCNC2=O)C1 ZINC000328773717 320732042 /nfs/dbraw/zinc/73/20/42/320732042.db2.gz BOSAPYMDEQNRPP-CHWSQXEVSA-N 0 0 345.465 0.921 10 0 ECAERN CCNS(=O)(=O)[C@@H]1CCN(C(=O)C[C@@H]2CCCCC(=O)N2)C1 ZINC000328830703 320735146 /nfs/dbraw/zinc/73/51/46/320735146.db2.gz RDZACXGVKNBEQO-NWDGAFQWSA-N 0 0 331.438 0.816 10 0 ECAERN C[C@@H]1[C@H](N2CCOCC2)CCN1S(=O)(=O)CC[C@H]1CCOC1 ZINC000328873591 320737907 /nfs/dbraw/zinc/73/79/07/320737907.db2.gz YWNJBIRTJXSPOK-RBSFLKMASA-N 0 0 332.466 0.538 10 0 ECAERN C[C@@H]1[C@H](N2CCOCC2)CCN1S(=O)(=O)CC[C@@H]1CCOC1 ZINC000328873584 320737975 /nfs/dbraw/zinc/73/79/75/320737975.db2.gz YWNJBIRTJXSPOK-QLFBSQMISA-N 0 0 332.466 0.538 10 0 ECAERN CCNS(=O)(=O)[C@@H]1CCN(C(=O)C[C@H]2CCCCNC2=O)C1 ZINC000328877469 320738367 /nfs/dbraw/zinc/73/83/67/320738367.db2.gz UAQGYPKFMFFERP-VXGBXAGGSA-N 0 0 331.438 0.673 10 0 ECAERN O=S(=O)(N[C@H]1CCS(=O)(=O)C1)c1cnc2ccc(F)cc2c1 ZINC000329265552 320763144 /nfs/dbraw/zinc/76/31/44/320763144.db2.gz HCYURPFZLCKWGY-NSHDSACASA-N 0 0 344.389 0.839 10 0 ECAERN CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)N(C)[C@@H]1COC[C@H]1O ZINC000329355564 320768049 /nfs/dbraw/zinc/76/80/49/320768049.db2.gz FPKXUMICEGBDSS-RBSFLKMASA-N 0 0 338.379 0.798 10 0 ECAERN CCn1cc([C@@H]2CS(=O)(=O)CCN2Cc2cnc(C)cn2)cn1 ZINC000329428089 320771742 /nfs/dbraw/zinc/77/17/42/320771742.db2.gz JPPPLWLBYLCGRN-HNNXBMFYSA-N 0 0 335.433 0.973 10 0 ECAERN CO[C@@H]1C[C@@H](CO)N(S(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)C1 ZINC000367424523 321688685 /nfs/dbraw/zinc/68/86/85/321688685.db2.gz TUOYYLRUMAKPAX-JFILPPLUSA-N 0 0 345.461 0.793 10 0 ECAERN CC(=O)N[C@]1(c2nc(C)cs2)CCN(c2cncc(C(N)=O)n2)C1 ZINC000548006577 322146096 /nfs/dbraw/zinc/14/60/96/322146096.db2.gz NFBTVAJMUURBJR-OAHLLOKOSA-N 0 0 346.416 0.582 10 0 ECAERN C[C@@H]1CN(C(=O)c2ccc3[nH]c(=O)[nH]c3c2)C[C@@H]1N1CCOCC1 ZINC000173967112 534423631 /nfs/dbraw/zinc/42/36/31/534423631.db2.gz VQZOHWYRCNKAPU-ABAIWWIYSA-N 0 0 330.388 0.649 10 0 ECAERN Cc1noc([C@@H](C)N2CCN(C(=O)N[C@H](C)C(=O)N(C)C)CC2)n1 ZINC000171901643 534437619 /nfs/dbraw/zinc/43/76/19/534437619.db2.gz HFHWZUBRWVCOCC-GHMZBOCLSA-N 0 0 338.412 0.243 10 0 ECAERN NC(=O)[C@H]1COCCN1C(=O)Cc1ccc(Br)c(F)c1 ZINC000180214438 534462450 /nfs/dbraw/zinc/46/24/50/534462450.db2.gz NXJKZKHLMXMEDF-LLVKDONJSA-N 0 0 345.168 0.843 10 0 ECAERN NC(=O)[C@H]1COCCN1C[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC000179729122 534463904 /nfs/dbraw/zinc/46/39/04/534463904.db2.gz ALJCRJJTHNUZHV-WCQYABFASA-N 0 0 348.321 0.631 10 0 ECAERN CCC(=O)N1CC[C@H](NC(=O)N2CCO[C@H](c3cnn(CC)c3)C2)C1 ZINC000189591881 528371964 /nfs/dbraw/zinc/37/19/64/528371964.db2.gz DDQAGURYJGOHLC-GJZGRUSLSA-N 0 0 349.435 0.997 10 0 ECAERN CC(C)[C@@H](O)CC(=O)NCc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000178900271 528615532 /nfs/dbraw/zinc/61/55/32/528615532.db2.gz RQKLYJZCEJWGNJ-AWEZNQCLSA-N 0 0 328.434 0.960 10 0 ECAERN CC(C)[C@@H]1C(=O)NCCN1C(=O)Nc1ccnn1C[C@@H]1CCOC1 ZINC000187790774 528645303 /nfs/dbraw/zinc/64/53/03/528645303.db2.gz YDMVRXUOFIZCPY-GXTWGEPZSA-N 0 0 335.408 0.908 10 0 ECAERN CC[C@@H](C(=O)N1CCCN(c2cccnn2)CC1)N1CCCC1=O ZINC000173153931 529275520 /nfs/dbraw/zinc/27/55/20/529275520.db2.gz BPAJOKWUKRVURT-AWEZNQCLSA-N 0 0 331.420 0.916 10 0 ECAERN CCCS(=O)(=O)CC(=O)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000105828292 545737935 /nfs/dbraw/zinc/73/79/35/545737935.db2.gz SZZPMFCOPKTSPF-UHFFFAOYSA-N 0 0 342.465 0.279 10 0 ECAERN COc1ccc(C[C@H](C)C(=O)NC[C@@H](O)CN2CCOCC2)cc1 ZINC000133100532 545795910 /nfs/dbraw/zinc/79/59/10/545795910.db2.gz HRYCRUOBJDLOSG-GOEBONIOSA-N 0 0 336.432 0.683 10 0 ECAERN C[C@@H](NC(=O)C(=O)Nc1cnn(Cc2ccccn2)c1)[C@H]1CCCO1 ZINC000178777568 545878590 /nfs/dbraw/zinc/87/85/90/545878590.db2.gz FJBAAYULGAFIKW-IUODEOHRSA-N 0 0 343.387 0.949 10 0 ECAERN CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1ccnn1-c1ccccc1 ZINC000179432691 545883202 /nfs/dbraw/zinc/88/32/02/545883202.db2.gz IMDXKLPQZRUUMK-CYBMUJFWSA-N 0 0 341.371 0.548 10 0 ECAERN CCC(CC)n1nc(C)cc1C(=O)NC[C@@H](O)CN1CCOCC1 ZINC000179757887 545883661 /nfs/dbraw/zinc/88/36/61/545883661.db2.gz WGQJFBUBHGVQRQ-OAHLLOKOSA-N 0 0 338.452 0.976 10 0 ECAERN CNC(=O)[C@H](NCc1ccc(S(=O)(=O)N2CCCC2)o1)C(C)C ZINC000183678186 545892247 /nfs/dbraw/zinc/89/22/47/545892247.db2.gz IAWRMRFSGXZBCN-CQSZACIVSA-N 0 0 343.449 0.924 10 0 ECAERN CNc1cc(N2CCC[C@H]2CNC(=O)c2cnn(C)c2N)ncn1 ZINC000184900435 545894234 /nfs/dbraw/zinc/89/42/34/545894234.db2.gz NGMKIJBPOBVAIJ-JTQLQIEISA-N 0 0 330.396 0.233 10 0 ECAERN Cc1cnn(-c2ccc(C(N)=O)cc2NC(=O)C(=O)N[C@H]2C[C@@H]2C)c1 ZINC000185773087 545895396 /nfs/dbraw/zinc/89/53/96/545895396.db2.gz VUXPASYZHYYHEV-JQWIXIFHSA-N 0 0 341.371 0.743 10 0 ECAERN O[C@@]1(Cn2ccnn2)CCN(Cc2noc(-c3ccccc3)n2)C1 ZINC000671551109 548179205 /nfs/dbraw/zinc/17/92/05/548179205.db2.gz PMABBYNWAQHUOC-INIZCTEOSA-N 0 0 326.360 0.965 10 0 ECAERN O=C(c1occc1Br)N1CC[C@@]2(C1)NC(=O)NC2=O ZINC000674359731 548618817 /nfs/dbraw/zinc/61/88/17/548618817.db2.gz AOSDHZRKVYMJRB-NSHDSACASA-N 0 0 328.122 0.466 10 0 ECAERN CS(=O)(=O)c1cnn(-c2cc(CO)c(Br)cn2)c1 ZINC000725252293 549729301 /nfs/dbraw/zinc/72/93/01/549729301.db2.gz QLEQDEYUUODOGT-UHFFFAOYSA-N 0 0 332.179 0.926 10 0 ECAERN COC(=O)[C@H](CNC(=O)OC(C)(C)C)n1cc(S(C)(=O)=O)cn1 ZINC000725250821 549729475 /nfs/dbraw/zinc/72/94/75/549729475.db2.gz NDAXAHURXSAQAU-JTQLQIEISA-N 0 0 347.393 0.525 10 0 ECAERN Cc1nn(CC(=O)N2CCC[C@@](O)(c3cn[nH]n3)C2)c(C)c1Cl ZINC000794121797 578576042 /nfs/dbraw/zinc/57/60/42/578576042.db2.gz WYUPIBDPNZJZOG-AWEZNQCLSA-N 0 0 338.799 0.782 10 0 ECAERN CO[C@@H]1COC[C@H]1n1cc(C(=O)N2CCC(=O)C[C@H]2C2CC2)nn1 ZINC000891804391 586197426 /nfs/dbraw/zinc/19/74/26/586197426.db2.gz RICHAHOEKYUTBJ-RRFJBIMHSA-N 0 0 334.376 0.448 10 0 ECAERN CCc1cc(C(=O)N2CCN(c3cncc4ncnn43)CC2)no1 ZINC000897488313 586332500 /nfs/dbraw/zinc/33/25/00/586332500.db2.gz ADHYFPMOCJZXSR-UHFFFAOYSA-N 0 0 327.348 0.637 10 0 ECAERN Cn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2cnc3c(c2)ncn3C)cn1 ZINC000888093742 586348383 /nfs/dbraw/zinc/34/83/83/586348383.db2.gz QKZBUXNTYXHKSY-UONOGXRCSA-N 0 0 342.359 0.278 10 0 ECAERN Cc1ncc(Cl)c(C(=O)N[C@H]2CCC(=O)N[C@@H]2[C@H]2CCCO2)n1 ZINC000888094697 586348911 /nfs/dbraw/zinc/34/89/11/586348911.db2.gz ALYQLQLXSIRXQW-WDMOLILDSA-N 0 0 338.795 0.994 10 0 ECAERN Cn1ncc2cc(C(=O)N[C@H]3CCC(=O)N[C@@H]3[C@@H]3CCCO3)cnc21 ZINC000888094690 586349168 /nfs/dbraw/zinc/34/91/68/586349168.db2.gz AJUZNUTWJKABBQ-YDHLFZDLSA-N 0 0 343.387 0.524 10 0 ECAERN O=S(=O)(N[C@@H]1C[C@@H](O)C12CCOCC2)c1cnc2n1CCC2 ZINC000888098231 586350051 /nfs/dbraw/zinc/35/00/51/586350051.db2.gz CETWZBNCRNMOLS-GHMZBOCLSA-N 0 0 327.406 0.038 10 0 ECAERN Cn1cncc1C(=O)N[C@@H]1CCCC[C@@H]1Cc1nn(C)c(=O)n1C ZINC000888099105 586350225 /nfs/dbraw/zinc/35/02/25/586350225.db2.gz SEEKOUWSLKGPSE-VXGBXAGGSA-N 0 0 332.408 0.384 10 0 ECAERN O=C(c1ccnc(Cl)c1Cl)N1CC[C@]2(C1)NC(=O)NC2=O ZINC000900766758 586662648 /nfs/dbraw/zinc/66/26/48/586662648.db2.gz QOYUUZARJZYYBH-GFCCVEGCSA-N 0 0 329.143 0.813 10 0 ECAERN CC1=C(C)C(=O)N(CCC(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)C1=O ZINC000900881869 586672280 /nfs/dbraw/zinc/67/22/80/586672280.db2.gz UZXKWVZJOFDDGD-SWLSCSKDSA-N 0 0 349.431 0.261 10 0 ECAERN Cn1cc(C(=O)NC[C@H]2CCN(C(=O)OC(C)(C)C)C2)n(C)c1=O ZINC000907340776 587034643 /nfs/dbraw/zinc/03/46/43/587034643.db2.gz LTKQNLZHQWYRFZ-LLVKDONJSA-N 0 0 338.408 0.711 10 0 ECAERN COC(=O)c1cn(CN2CCN(Cc3cnc(C)s3)CC2)nn1 ZINC000111165089 589537885 /nfs/dbraw/zinc/53/78/85/589537885.db2.gz UMYBZPIXIQIJAP-UHFFFAOYSA-N 0 0 336.421 0.605 10 0 ECAERN Cn1c(=O)cc(N[C@@H]2CCC(=O)N[C@H]2c2ccccc2)n(C)c1=O ZINC000853691578 589555526 /nfs/dbraw/zinc/55/55/26/589555526.db2.gz YELKXTBPQBPQBE-WBMJQRKESA-N 0 0 328.372 0.516 10 0 ECAERN CN(C)c1nc([C@@H]2CCN(C(=O)CCc3cnn(C)c3)C2)cc(=O)[nH]1 ZINC000864842088 590110702 /nfs/dbraw/zinc/11/07/02/590110702.db2.gz MJRHZOGWMWSQBG-CYBMUJFWSA-N 0 0 344.419 0.930 10 0 ECAERN CCCn1c(CO)nn(CN2CCC[C@@H](NC(C)=O)C2)c1=S ZINC000120381193 590124685 /nfs/dbraw/zinc/12/46/85/590124685.db2.gz UXMYRZWFLSNRMZ-GFCCVEGCSA-N 0 0 327.454 0.874 10 0 ECAERN O=C(C[C@H]1CS(=O)(=O)CCN1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000126557985 590467839 /nfs/dbraw/zinc/46/78/39/590467839.db2.gz XEPVBBJDHVCUCL-ZJUUUORDSA-N 0 0 328.356 0.564 10 0 ECAERN O=C(C[C@@H]1CS(=O)(=O)CCN1)NCc1ccc(F)c(Cl)c1 ZINC000126736772 590483675 /nfs/dbraw/zinc/48/36/75/590483675.db2.gz SELSJOWPVCMASH-SNVBAGLBSA-N 0 0 334.800 0.872 10 0 ECAERN C[C@@H]1CN=C(N2CCN(C[C@H](O)CN3CCCC3=O)CC2)S1 ZINC000127025245 590513254 /nfs/dbraw/zinc/51/32/54/590513254.db2.gz YOLGGRICVMVLHE-OLZOCXBDSA-N 0 0 326.466 0.079 10 0 ECAERN COc1ccccc1C/C(C)=C/C(=O)NC[C@@H](O)CN1CCOCC1 ZINC000133074064 590676502 /nfs/dbraw/zinc/67/65/02/590676502.db2.gz HGPGXMSGVWROFR-OKACTXMXSA-N 0 0 348.443 0.993 10 0 ECAERN Cn1c(CN2CC[NH+]([C@]3(C(=O)[O-])CCOC3)CC2)nnc1C1CC1 ZINC000886071902 590789675 /nfs/dbraw/zinc/78/96/75/590789675.db2.gz PFKWQUZYTNOSRI-MRXNPFEDSA-N 0 0 335.408 0.054 10 0 ECAERN CCN1CCO[C@@H](CNC(=O)c2nonc2C)[C@@H]1c1ccnn1C ZINC000886066122 590790157 /nfs/dbraw/zinc/79/01/57/590790157.db2.gz BXLAWMKINPOYGP-JSGCOSHPSA-N 0 0 334.380 0.303 10 0 ECAERN NC(=O)[C@]1(N2CCN(Cc3c(F)cccc3F)CC2)CCOC1 ZINC000886074611 590790671 /nfs/dbraw/zinc/79/06/71/590790671.db2.gz GPGCDFOBOHHYIW-INIZCTEOSA-N 0 0 325.359 0.727 10 0 ECAERN Cn1nccc1[C@H]1[C@H](CNc2ncnc(N)c2Cl)OCCN1C ZINC000886079663 590791572 /nfs/dbraw/zinc/79/15/72/590791572.db2.gz HQWRHJCKDBVYAH-JQWIXIFHSA-N 0 0 337.815 0.930 10 0 ECAERN COc1ccc(C(=O)NC[C@@H]2OCCN(C)[C@H]2c2ccnn2C)nn1 ZINC000886079402 590791672 /nfs/dbraw/zinc/79/16/72/590791672.db2.gz WCWZBZLEAVFJMP-ZFWWWQNUSA-N 0 0 346.391 0.020 10 0 ECAERN CCCn1[nH]ccc1=NC(=O)CN1C[C@@H](CO)Oc2ccccc21 ZINC000886088660 590793270 /nfs/dbraw/zinc/79/32/70/590793270.db2.gz DPACIKBASZGEBZ-ZDUSSCGKSA-N 0 0 330.388 0.913 10 0 ECAERN Cc1noc(C[C@]2(O)CCCN(CC(=O)NCC(F)(F)F)C2)n1 ZINC000886091734 590793379 /nfs/dbraw/zinc/79/33/79/590793379.db2.gz PHJCKOIZRDZWIY-GFCCVEGCSA-N 0 0 336.314 0.426 10 0 ECAERN CC(=O)N1CC(C(=O)N[C@H]2CC[C@@H](C(F)(F)F)N(C(C)=O)C2)C1 ZINC000886085241 590793430 /nfs/dbraw/zinc/79/34/30/590793430.db2.gz IJLJSUYCCOGTAS-RYUDHWBXSA-N 0 0 335.326 0.523 10 0 ECAERN Cn1cc([C@@H]2[C@@H](CNc3nccn4cnnc34)CCC(=O)N2C)cn1 ZINC000886088678 590793692 /nfs/dbraw/zinc/79/36/92/590793692.db2.gz JGIXECWMQZWPAJ-RISCZKNCSA-N 0 0 340.391 0.879 10 0 ECAERN CCCn1[nH]ccc1=NC(=O)CN1C[C@H](CO)Oc2ccccc21 ZINC000886088659 590793999 /nfs/dbraw/zinc/79/39/99/590793999.db2.gz DPACIKBASZGEBZ-CYBMUJFWSA-N 0 0 330.388 0.913 10 0 ECAERN O=C([O-])[C@@]1([NH+]2CCN(c3ccc(C(F)(F)F)nn3)CC2)CCOC1 ZINC000886094764 590794455 /nfs/dbraw/zinc/79/44/55/590794455.db2.gz DQMWCZCMZRLEMH-CYBMUJFWSA-N 0 0 346.309 0.861 10 0 ECAERN Cn1cnnc1C[C@@]1(O)CCCN(C(=O)COCc2ccccc2)C1 ZINC000886095184 590794642 /nfs/dbraw/zinc/79/46/42/590794642.db2.gz NJRNDDKECQXHIK-SFHVURJKSA-N 0 0 344.415 0.928 10 0 ECAERN O=C1[C@H]2CC=CC[C@@H]2C(=O)N1CN1CCC(Cn2cncn2)CC1 ZINC000186921917 611456563 /nfs/dbraw/zinc/45/65/63/611456563.db2.gz HMCIMCZRZDBLDO-GJZGRUSLSA-N 0 0 329.404 0.899 10 0 ECAERN CCCCCCNC(=O)CS(=O)(=O)Cc1nnnn1C(C)C ZINC000195427555 608623911 /nfs/dbraw/zinc/62/39/11/608623911.db2.gz JOOAEEYJKDWWME-UHFFFAOYSA-N 0 0 331.442 0.865 10 0 ECAERN CCOCCN1CCN(C(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C[C@H]1C ZINC000178250205 609021442 /nfs/dbraw/zinc/02/14/42/609021442.db2.gz LCGMLZDIGPQYFI-ZIAGYGMSSA-N 0 0 349.435 0.332 10 0 ECAERN O=S(=O)(c1ccc(Br)cc1)N1CCOC[C@H]1CO ZINC000168679341 609031812 /nfs/dbraw/zinc/03/18/12/609031812.db2.gz LULWNJOPUUAYMC-SNVBAGLBSA-N 0 0 336.207 0.831 10 0 ECAERN C[C@H](O)CNC(=O)c1cc2cc(S(=O)(=O)N(C)C)ccc2o1 ZINC000222803583 609117420 /nfs/dbraw/zinc/11/74/20/609117420.db2.gz RINMGFGJQHYNTO-VIFPVBQESA-N 0 0 326.374 0.794 10 0 ECAERN COCCN1CCN(C(=O)NCC[S@@](=O)C(C)(C)C)C[C@@H]1C ZINC000172657025 609530532 /nfs/dbraw/zinc/53/05/32/609530532.db2.gz MHICYKXGNOMWQI-WHEQGISXSA-N 0 0 333.498 0.896 10 0 ECAERN CN1C[C@@H]2[C@@H](CCCN2C(=O)c2cccc3nc(CO)[nH]c32)C1=O ZINC000908097448 609643944 /nfs/dbraw/zinc/64/39/44/609643944.db2.gz QDNYMQLSBZRPAE-ZWNOBZJWSA-N 0 0 328.372 0.748 10 0 ECAERN CC(C)(C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H]1C[C@H](O)[C@@H]1n1cccn1 ZINC000909158701 609679077 /nfs/dbraw/zinc/67/90/77/609679077.db2.gz DTGKWOCWOVBSCD-YIYPIFLZSA-N 0 0 334.420 0.711 10 0 ECAERN Cc1nn(C)c2ncc(C(=O)N[C@@H]3C[C@@H](O)[C@@H]3n3cccn3)cc12 ZINC000909160908 609679174 /nfs/dbraw/zinc/67/91/74/609679174.db2.gz XZPZJWXZIQTDDC-MGPQQGTHSA-N 0 0 326.360 0.578 10 0 ECAERN CN(CCO)C(=O)c1cc2cc(S(=O)(=O)NC3CC3)ccc2o1 ZINC000222808357 609704742 /nfs/dbraw/zinc/70/47/42/609704742.db2.gz MCEXJLUHGUWEDI-UHFFFAOYSA-N 0 0 338.385 0.938 10 0 ECAERN Cc1nc(NC(=O)Cc2ncn(C)c(=O)c2C)sc1C(=O)N(C)C ZINC000222937792 609706485 /nfs/dbraw/zinc/70/64/85/609706485.db2.gz GSQFRZIOJYXBRS-UHFFFAOYSA-N 0 0 349.416 0.737 10 0 ECAERN Cc1nc(NC(=O)Cc2nc[nH]c(=O)c2C)sc1C(=O)N(C)C ZINC000222946031 609706667 /nfs/dbraw/zinc/70/66/67/609706667.db2.gz JSNDKWYTZMYSEF-UHFFFAOYSA-N 0 0 335.389 0.726 10 0 ECAERN C[C@H](O)CNC(=O)c1cnc(-n2cnnc2)c(Br)c1 ZINC000223071085 609707095 /nfs/dbraw/zinc/70/70/95/609707095.db2.gz BJHMOGFGIGDRRB-ZETCQYMHSA-N 0 0 326.154 0.535 10 0 ECAERN CN1C(=O)CO[C@@H](C(=O)NCC2(CO)CC2)[C@H]1c1ccc(F)cc1 ZINC000223225527 609708979 /nfs/dbraw/zinc/70/89/79/609708979.db2.gz MMOSKYIRGVCRSM-HUUCEWRRSA-N 0 0 336.363 0.613 10 0 ECAERN COC(=O)CNC(=O)[C@H]1CCC(=O)N1Cc1c[nH]c2ccccc12 ZINC000223398540 609710198 /nfs/dbraw/zinc/71/01/98/609710198.db2.gz UGGBYWHFGWGORT-CQSZACIVSA-N 0 0 329.356 0.948 10 0 ECAERN CCOC(=O)N1CCN(c2nc(C)nc3c2NC(=O)[C@H](C)N3)CC1 ZINC000224023497 609716488 /nfs/dbraw/zinc/71/64/88/609716488.db2.gz NUNJCFSTGODKBA-VIFPVBQESA-N 0 0 334.380 0.816 10 0 ECAERN CNC(=O)[C@@H]1CN(C(=O)Cc2c(C)noc2C)C[C@H]1c1nc(C)no1 ZINC000169781256 609745778 /nfs/dbraw/zinc/74/57/78/609745778.db2.gz JUJCXSIHXWQECO-CHWSQXEVSA-N 0 0 347.375 0.514 10 0 ECAERN O=C(CCCN1C(=O)c2ccccc2C1=O)N1CCOC[C@@H]1CO ZINC000170209272 609749287 /nfs/dbraw/zinc/74/92/87/609749287.db2.gz DFNQOSNPKBGYGA-LBPRGKRZSA-N 0 0 332.356 0.283 10 0 ECAERN O=C(c1ccoc1)N1C[C@H]2OC(=O)N(CCCN3CCOCC3)[C@H]2C1 ZINC000067842308 609759026 /nfs/dbraw/zinc/75/90/26/609759026.db2.gz LDWDJATUKVCNFW-LSDHHAIUSA-N 0 0 349.387 0.647 10 0 ECAERN C[C@@H]1C[C@@H]1NC(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000171853265 609765195 /nfs/dbraw/zinc/76/51/95/609765195.db2.gz DMGOKJIRXARNBA-SCZZXKLOSA-N 0 0 325.381 0.958 10 0 ECAERN Cc1cc(-n2c(C)cn(CN3CC[C@@H](N4CCOCC4)C3)c2=O)no1 ZINC000172960414 609777298 /nfs/dbraw/zinc/77/72/98/609777298.db2.gz WDYSKANMFWCMJI-OAHLLOKOSA-N 0 0 347.419 0.608 10 0 ECAERN COC[C@H](C)C(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000152810065 609881426 /nfs/dbraw/zinc/88/14/26/609881426.db2.gz XZPJTDRJKFVIBP-QMMMGPOBSA-N 0 0 332.344 0.699 10 0 ECAERN CC(C)C[C@@H]1NC(=O)N(CN2CCO[C@H](Cn3cccn3)C2)C1=O ZINC000152838560 609883152 /nfs/dbraw/zinc/88/31/52/609883152.db2.gz KBBNBIZJOAZSHG-KBPBESRZSA-N 0 0 335.408 0.508 10 0 ECAERN CCO[C@]1(C(=O)N[C@H]2C[C@@H](N3CCOCC3)C2(C)C)CCOC1 ZINC000911843765 609915410 /nfs/dbraw/zinc/91/54/10/609915410.db2.gz NJZHRKCHTNSGGW-JJRVBVJISA-N 0 0 326.437 0.798 10 0 ECAERN C[C@H]1CN(c2nnnn2Cc2ccccc2)C[C@H]1N1CCOCC1 ZINC000929058301 611726892 /nfs/dbraw/zinc/72/68/92/611726892.db2.gz DGMPOVNJWCHQRF-GOEBONIOSA-N 0 0 328.420 0.878 10 0 ECAERN O=C(N[C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1cccc(F)n1 ZINC000180737468 610056856 /nfs/dbraw/zinc/05/68/56/610056856.db2.gz BEKTXHPWBLFIEV-JSGCOSHPSA-N 0 0 335.291 0.953 10 0 ECAERN CC(C)CS(=O)(=O)N1CCC(NC(=O)C[C@@H](O)C(C)C)CC1 ZINC000181556453 610255449 /nfs/dbraw/zinc/25/54/49/610255449.db2.gz LGAWDQYMXMEFRF-CQSZACIVSA-N 0 0 334.482 0.960 10 0 ECAERN O=C([O-])[C@H]1C[C@@H](C(=O)NCc2cccnc2)C[N@@H+](C2CCOCC2)C1 ZINC000071762158 610704055 /nfs/dbraw/zinc/70/40/55/610704055.db2.gz SXOKQGXFGQBPME-CABCVRRESA-N 0 0 347.415 0.900 10 0 ECAERN CC(=O)N[C@H]1CCCN(C(=O)C2=C(C)N(C)c3ncnn3[C@H]2C)C1 ZINC000192166052 611923473 /nfs/dbraw/zinc/92/34/73/611923473.db2.gz GHIDLCBLQWSOQI-AAEUAGOBSA-N 0 0 332.408 0.690 10 0 ECAERN Cc1cc(C)n(C[C@H]2CN(CC(=O)N3CCO[C@@H](C)C3)CCO2)n1 ZINC000247114297 612806459 /nfs/dbraw/zinc/80/64/59/612806459.db2.gz JEPYNAPUZVFQCT-JKSUJKDBSA-N 0 0 336.436 0.448 10 0 ECAERN C[C@@H]1CN(CCO)CCN1C(=O)[C@@H]1CCN1C(=O)OC(C)(C)C ZINC000722670959 732484122 /nfs/dbraw/zinc/48/41/22/732484122.db2.gz AQGUSNCQCYDEHG-OLZOCXBDSA-N 0 0 327.425 0.521 10 0 ECAERN CS(=O)(=O)CCCNC(=O)c1cc(Br)cnc1N ZINC000050707760 214067389 /nfs/dbraw/zinc/06/73/89/214067389.db2.gz DKFZZQNMZYTOPR-UHFFFAOYSA-N 0 0 336.211 0.591 10 0 ECAERN Cn1cc([C@H]2CCCN2Cc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)cn1 ZINC000173316584 230920225 /nfs/dbraw/zinc/92/02/25/230920225.db2.gz YODTXPCMLDPFMF-LLVKDONJSA-N 0 0 343.391 0.031 10 0 ECAERN Cc1cc(N2CCC[C@@H](NC(=O)NC[C@H]3CCCO3)C2=O)n(C)n1 ZINC000174034377 231103950 /nfs/dbraw/zinc/10/39/50/231103950.db2.gz ZYTNTLHWLMFULZ-CHWSQXEVSA-N 0 0 335.408 0.702 10 0 ECAERN Cc1cc(N2CCC[C@@H](NS(=O)(=O)c3cccnc3)C2=O)n(C)n1 ZINC000174040467 231106275 /nfs/dbraw/zinc/10/62/75/231106275.db2.gz LNHKSOOYSYVAII-CYBMUJFWSA-N 0 0 349.416 0.597 10 0 ECAERN CCc1cc(N2CCC[C@H](NC(=O)N3CC(NC(C)=O)C3)C2)ncn1 ZINC000190089647 529532755 /nfs/dbraw/zinc/53/27/55/529532755.db2.gz XTVQZAIMRRGBJY-AWEZNQCLSA-N 0 0 346.435 0.538 10 0 ECAERN CNC(=O)CNC(=O)NC[C@@H](c1ccc(C)s1)N1CCOCC1 ZINC000178455152 529864002 /nfs/dbraw/zinc/86/40/02/529864002.db2.gz HIMYGUSQDIDAJD-LBPRGKRZSA-N 0 0 340.449 0.475 10 0 ECAERN NC(=O)[C@@H]1CC[C@H](CNC(=O)N2CCC(Cn3cccn3)CC2)O1 ZINC000126248890 222674854 /nfs/dbraw/zinc/67/48/54/222674854.db2.gz KJVYDIJTIVBZPG-KGLIPLIRSA-N 0 0 335.408 0.338 10 0 ECAERN O=C1CN(C[C@]2(O)CCCN(CCCc3ccccc3)C2=O)CCN1 ZINC000067856663 215233321 /nfs/dbraw/zinc/23/33/21/215233321.db2.gz DDBYUZCTRZLYKZ-LJQANCHMSA-N 0 0 345.443 0.405 10 0 ECAERN C[C@H](OC[C@H](O)CN1CCOC[C@@H]1C(N)=O)c1ccc(Cl)cc1 ZINC000179723142 233366197 /nfs/dbraw/zinc/36/61/97/233366197.db2.gz XSZATHOFIHXJBE-NILFDRSVSA-N 0 0 342.823 0.965 10 0 ECAERN CC[C@@H]1C(=O)NCCN1C(=O)c1cc(Br)cnc1N ZINC000104142689 219351853 /nfs/dbraw/zinc/35/18/53/219351853.db2.gz AZQAGTRMQGGDHC-SECBINFHSA-N 0 0 327.182 0.777 10 0 ECAERN O=C(NCCNC(=O)c1ccn[nH]1)N[C@H]1CCOc2ccccc21 ZINC000181003354 234057853 /nfs/dbraw/zinc/05/78/53/234057853.db2.gz GXEABDABRGHHTJ-LBPRGKRZSA-N 0 0 329.360 0.963 10 0 ECAERN CC(C)C[C@H](NS(C)(=O)=O)C(=O)NCc1cccnc1N(C)C ZINC000040534592 213339149 /nfs/dbraw/zinc/33/91/49/213339149.db2.gz KTULGHHDSJZELU-ZDUSSCGKSA-N 0 0 342.465 0.728 10 0 ECAERN NS(=O)(=O)[C@H]1C=NC=C(I)[C@@H]1OC1CC1 ZINC000095734537 303442161 /nfs/dbraw/zinc/44/21/61/303442161.db2.gz GXZZGBNQQDZXRU-YUMQZZPRSA-N 0 0 342.158 0.552 10 0 ECAERN Cc1cnn([C@@H]2CCCN(C(=O)NCCNC(=O)c3ccn[nH]3)C2)c1 ZINC000181859447 234354978 /nfs/dbraw/zinc/35/49/78/234354978.db2.gz WTZUYGOAKHIDOY-CYBMUJFWSA-N 0 0 345.407 0.691 10 0 ECAERN C[C@H](NC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1)C(=O)N(C)C ZINC000179433987 299203024 /nfs/dbraw/zinc/20/30/24/299203024.db2.gz MZYLVCJAIZHKRD-PSOPSSQASA-N 0 0 335.379 0.938 10 0 ECAERN CCCS(=O)(=O)CCN1CCN(c2ccc3nncn3n2)CC1 ZINC000105817365 219539429 /nfs/dbraw/zinc/53/94/29/219539429.db2.gz NRVYATOVNPHVQH-UHFFFAOYSA-N 0 0 338.437 0.071 10 0 ECAERN COC[C@H](C)C(=O)N[C@H](Cc1ccccc1)C(=O)N1CCOCC1 ZINC000184501061 235413675 /nfs/dbraw/zinc/41/36/75/235413675.db2.gz HHNZTJPPFHSTTB-GOEBONIOSA-N 0 0 334.416 0.855 10 0 ECAERN COC(=O)CN1C(=O)[C@@]2(CCCN2C(=O)OC(C)(C)C)C[C@H]1O ZINC000038421302 291083180 /nfs/dbraw/zinc/08/31/80/291083180.db2.gz MRHMNHAWMWGNBF-MEBBXXQBSA-N 0 0 328.365 0.480 10 0 ECAERN CS(=O)(=O)CCCNc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000038048361 213197316 /nfs/dbraw/zinc/19/73/16/213197316.db2.gz IUEBTYHXFPPOEF-UHFFFAOYSA-N 0 0 332.447 0.974 10 0 ECAERN NS(=O)(=O)N1CCC[C@@H]1C(=O)OCCOc1cccc(Cl)c1 ZINC000036395827 213097245 /nfs/dbraw/zinc/09/72/45/213097245.db2.gz AHOVKIKYJNBPNE-GFCCVEGCSA-N 0 0 348.808 0.930 10 0 ECAERN O=C(Nc1ccc2ncccc2c1)C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000187977954 236367157 /nfs/dbraw/zinc/36/71/57/236367157.db2.gz JBTGFKBMUVCGEJ-UHFFFAOYSA-N 0 0 338.367 0.910 10 0 ECAERN O=C(CN1CCN(Cc2ccccc2)C(=O)C1=O)NC[C@@H]1CCCO1 ZINC000035481760 213032589 /nfs/dbraw/zinc/03/25/89/213032589.db2.gz KXAUFKUNSBMXEO-HNNXBMFYSA-N 0 0 345.399 0.153 10 0 ECAERN COc1ccc([C@H]2C[C@@H](O)[C@@H](O)[C@@H]2NC(=O)c2cnccn2)cc1 ZINC000072321566 216149619 /nfs/dbraw/zinc/14/96/19/216149619.db2.gz QTRJJOSUIUSRBE-DTZQCDIJSA-N 0 0 329.356 0.493 10 0 ECAERN CNC(=O)c1ccc([C@@H]2CN(C(=O)c3coc(C)n3)CCO2)nc1 ZINC000072388083 216188183 /nfs/dbraw/zinc/18/81/83/216188183.db2.gz GHTZKWHTUTULOG-AWEZNQCLSA-N 0 0 330.344 0.951 10 0 ECAERN CN(C)C(=O)c1ccc(CNC(=O)N2CC(NC(=O)C3CC3)C2)cc1 ZINC000190119243 238228384 /nfs/dbraw/zinc/22/83/84/238228384.db2.gz TUBSKPIIOWFNHN-UHFFFAOYSA-N 0 0 344.415 0.808 10 0 ECAERN C[C@H](c1ccccc1)[C@@](C)(O)C(=O)NC[C@H](O)CN1CCOCC1 ZINC000132345856 223323080 /nfs/dbraw/zinc/32/30/80/223323080.db2.gz UJBVDGHFJYXWMA-UWWQBHOKSA-N 0 0 336.432 0.350 10 0 ECAERN CCOC(=O)CN1CC[NH+]([C@H](CC(=O)c2ccccc2)C(=O)[O-])CC1 ZINC000022859840 212329573 /nfs/dbraw/zinc/32/95/73/212329573.db2.gz BRQWIAOCVUYJKZ-OAHLLOKOSA-N 0 0 348.399 0.893 10 0 ECAERN Cc1csc([C@H]2CN(C(=O)NCCN3CCOCC3)CCO2)n1 ZINC000193276352 240087184 /nfs/dbraw/zinc/08/71/84/240087184.db2.gz MFXLFNDZRFMNOI-CYBMUJFWSA-N 0 0 340.449 0.867 10 0 ECAERN Cc1cccc(NC(=O)C(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)n1 ZINC000193718117 240280592 /nfs/dbraw/zinc/28/05/92/240280592.db2.gz YESKHQBWIFUDHS-TZMCWYRMSA-N 0 0 332.404 0.508 10 0 ECAERN CCN(C(=O)[C@@H](CCS(C)(=O)=O)NC(C)=O)c1ccccc1 ZINC000002491318 284201331 /nfs/dbraw/zinc/20/13/31/284201331.db2.gz JKYFLGPTMOKKIU-CQSZACIVSA-N 0 0 326.418 0.979 10 0 ECAERN C[N@@H+](CC(=O)[O-])C[C@H]1CN(C(=O)Cc2ccc3c(c2)CCO3)CCO1 ZINC000262904379 245242570 /nfs/dbraw/zinc/24/25/70/245242570.db2.gz IRJDVEDUACJIGC-HNNXBMFYSA-N 0 0 348.399 0.408 10 0 ECAERN CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)N1CCN(CCO)CC1 ZINC000078344663 217042076 /nfs/dbraw/zinc/04/20/76/217042076.db2.gz PMRGKJCVDFVLOU-NVXWUHKLSA-N 0 0 347.459 0.968 10 0 ECAERN NC(=O)c1ccc(C(=O)N[C@@H]2CCCN(c3cccnn3)C2)nc1 ZINC000135267636 223563272 /nfs/dbraw/zinc/56/32/72/223563272.db2.gz FVWPUUSHUZQYHI-GFCCVEGCSA-N 0 0 326.360 0.369 10 0 ECAERN CCCCCS(=O)(=O)CC(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111086413 220099063 /nfs/dbraw/zinc/09/90/63/220099063.db2.gz QMOXCMLXCIOFRA-CQSZACIVSA-N 0 0 343.449 0.716 10 0 ECAERN CCS(=O)(=O)CCNC(=O)N1CCC[C@H](n2cc(C)cn2)C1 ZINC000111750235 220187715 /nfs/dbraw/zinc/18/77/15/220187715.db2.gz DIQYKKXSKSGGFG-ZDUSSCGKSA-N 0 0 328.438 0.973 10 0 ECAERN Cc1cc(NC[C@@H](O)CN2CCOCC2)nc(-c2ccncc2)n1 ZINC000112073004 220239488 /nfs/dbraw/zinc/23/94/88/220239488.db2.gz LUFBPYQDZPHTMK-OAHLLOKOSA-N 0 0 329.404 0.952 10 0 ECAERN Cc1cnn(C[C@H]2CN(C(=O)C(=O)Nc3cccnc3)CCO2)c1 ZINC000112147783 220252837 /nfs/dbraw/zinc/25/28/37/220252837.db2.gz GJSCMJLRGSIVQF-CQSZACIVSA-N 0 0 329.360 0.453 10 0 ECAERN NC(=O)[C@@H]1COCCN1C(=O)COc1ccc(Br)cc1 ZINC000091784893 218065924 /nfs/dbraw/zinc/06/59/24/218065924.db2.gz FDEGYOSFSNOYLQ-NSHDSACASA-N 0 0 343.177 0.541 10 0 ECAERN Cc1cc(NC(=O)NC[C@@H](O)CN2CCOCC2)cnc1Cl ZINC000092928208 218180779 /nfs/dbraw/zinc/18/07/79/218180779.db2.gz UPLHOWXMMKTNQE-GFCCVEGCSA-N 0 0 328.800 0.858 10 0 ECAERN O=C1C[C@H](N2CC[C@@H](N3CCOCC3)C2)C(=O)N1CC(F)(F)F ZINC000248757165 296347340 /nfs/dbraw/zinc/34/73/40/296347340.db2.gz CSPMOFQESBOSED-MNOVXSKESA-N 0 0 335.326 0.083 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)C(=O)Nc1cc(C)cc(C)n1)CC2 ZINC000193472990 207772525 /nfs/dbraw/zinc/77/25/25/207772525.db2.gz VOUAQPGXWGUCMS-GFCCVEGCSA-N 0 0 342.403 0.922 10 0 ECAERN CNc1cc(N2CCC[C@@H]2CNC(=O)N[C@H](C)CCCO)ncn1 ZINC000130805012 533049081 /nfs/dbraw/zinc/04/90/81/533049081.db2.gz ZBWRXISFXQWNSJ-CHWSQXEVSA-N 0 0 336.440 0.947 10 0 ECAERN CNc1cc(N2CCC[C@@H]2CNC(=O)N(C)CC[C@H](C)O)ncn1 ZINC000153400481 533049620 /nfs/dbraw/zinc/04/96/20/533049620.db2.gz OBYHSXFCGPMCJR-QWHCGFSZSA-N 0 0 336.440 0.899 10 0 ECAERN CC(C)CSC[C@H]1O[C@@H](n2cnc3c2ncnc3N)[C@H](O)[C@@H]1O ZINC000005138266 210398313 /nfs/dbraw/zinc/39/83/13/210398313.db2.gz JDDUQGRUPLKDNT-IDTAVKCVSA-N 0 0 339.421 0.417 10 0 ECAERN CN1CCO[C@@H](CN[C@H](C(N)=O)c2ccc(Br)cc2)C1 ZINC000112548977 220347819 /nfs/dbraw/zinc/34/78/19/220347819.db2.gz GJVBUFXHRICKMV-STQMWFEESA-N 0 0 342.237 0.896 10 0 ECAERN Nc1ncc(Cl)cc1S(=O)(=O)N[C@H]1CCc2ncnn2C1 ZINC000153815699 224162445 /nfs/dbraw/zinc/16/24/45/224162445.db2.gz YDLMSIFYLKDJLM-QMMMGPOBSA-N 0 0 328.785 0.202 10 0 ECAERN Cc1cc(OCC(=O)NC[C@H](O)CN2CCOCC2)ccc1Cl ZINC000154126894 224207771 /nfs/dbraw/zinc/20/77/71/224207771.db2.gz PAVMGKCMXPJPGS-ZDUSSCGKSA-N 0 0 342.823 0.837 10 0 ECAERN Cn1cc([C@@H]2CCN(S(=O)(=O)c3cc(C(N)=O)n(C)c3)C2)cn1 ZINC000116371602 220956112 /nfs/dbraw/zinc/95/61/12/220956112.db2.gz ZABIECSTLDCNOJ-SNVBAGLBSA-N 0 0 337.405 0.036 10 0 ECAERN COCCN1CCN(C(=O)NCCCN2CCOCC2)C[C@H]1C ZINC000117468661 221067242 /nfs/dbraw/zinc/06/72/42/221067242.db2.gz KNKSRRJHUSKQJR-OAHLLOKOSA-N 0 0 328.457 0.071 10 0 ECAERN COCCN1CCN(C(=O)NCC(C)(C)N2CCOCC2)C[C@H]1C ZINC000117469963 221067413 /nfs/dbraw/zinc/06/74/13/221067413.db2.gz VVJWZZQTOMPLFS-OAHLLOKOSA-N 0 0 342.484 0.459 10 0 ECAERN Cc1cc(NC(=O)C(=O)NC[C@H]2CN(C)CCO2)ccc1N(C)C ZINC000118115382 221120990 /nfs/dbraw/zinc/12/09/90/221120990.db2.gz YHYJFKTXVFMELE-AWEZNQCLSA-N 0 0 334.420 0.446 10 0 ECAERN CCS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCc3ncnn3C2)c1 ZINC000119897992 221429692 /nfs/dbraw/zinc/42/96/92/221429692.db2.gz JMELEYJDFKTACK-GFCCVEGCSA-N 0 0 334.401 0.817 10 0 ECAERN C[C@@H]1COC[C@H](C)N1C(=O)C1=NN(c2ccccc2)C(=O)[C@H](C)N1 ZINC000155134426 224364544 /nfs/dbraw/zinc/36/45/44/224364544.db2.gz OQHNBRYWZRQFRV-XQQFMLRXSA-N 0 0 330.388 0.961 10 0 ECAERN C[C@H]1COC[C@H](C)N1C(=O)C1=NN(c2ccccc2)C(=O)[C@H](C)N1 ZINC000155134504 224364635 /nfs/dbraw/zinc/36/46/35/224364635.db2.gz OQHNBRYWZRQFRV-AVGNSLFASA-N 0 0 330.388 0.961 10 0 ECAERN Cn1nccc1S(=O)(=O)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000328610174 258039884 /nfs/dbraw/zinc/03/98/84/258039884.db2.gz GTOMSNUHFHEKQL-RYUDHWBXSA-N 0 0 327.431 0.878 10 0 ECAERN COc1cc(C(=O)NC[C@@H](O)CN2CCOCC2)ccc1Cl ZINC000132470334 533537319 /nfs/dbraw/zinc/53/73/19/533537319.db2.gz WNRWNHUCTSTFOV-GFCCVEGCSA-N 0 0 328.796 0.772 10 0 ECAERN COC(=O)[C@H]1C[C@@H]1C(=O)Nc1cn(C)cc(Br)c1=O ZINC000180285680 533547250 /nfs/dbraw/zinc/54/72/50/533547250.db2.gz NXRZVSDYKCHEQL-BQBZGAKWSA-N 0 0 329.150 0.895 10 0 ECAERN Cc1noc(C2CC2)c1NC(=O)C(=O)NC[C@H](C)N1CCOCC1 ZINC000132347298 296670029 /nfs/dbraw/zinc/67/00/29/296670029.db2.gz XPALSNHIJVOSIH-JTQLQIEISA-N 0 0 336.392 0.636 10 0 ECAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)C(=O)Nc3ccnn3C)CCO2)n1 ZINC000154557217 296697145 /nfs/dbraw/zinc/69/71/45/296697145.db2.gz CYDSGFCAJQCZDB-ZDUSSCGKSA-N 0 0 346.391 0.100 10 0 ECAERN Cc1cc(C)n(C[C@H]2CN(C(=O)c3nc(C)c(C)[nH]c3=O)CCO2)n1 ZINC000154751721 296698253 /nfs/dbraw/zinc/69/82/53/296698253.db2.gz KTJUGSROBAQSBW-CQSZACIVSA-N 0 0 345.403 0.741 10 0 ECAERN NC(=O)[C@@H]1COCCN1C[C@@H](O)COc1ccc2ccccc2c1 ZINC000247272018 296735718 /nfs/dbraw/zinc/73/57/18/296735718.db2.gz YDLPLUADCYVZCN-WBVHZDCISA-N 0 0 330.384 0.766 10 0 ECAERN Cc1cc(N2CCC[C@H](NS(=O)(=O)N(C)C(C)C)C2=O)n(C)n1 ZINC000174040897 164867819 /nfs/dbraw/zinc/86/78/19/164867819.db2.gz SDTUGHGDKAPWAM-LBPRGKRZSA-N 0 0 343.453 0.399 10 0 ECAERN O=C([C@H]1CC(=O)N(c2cn[nH]c2)C1)N1CCC[C@@H](Cn2cncn2)C1 ZINC000178261815 164914280 /nfs/dbraw/zinc/91/42/80/164914280.db2.gz JPQKIVULVYMXNY-OLZOCXBDSA-N 0 0 343.391 0.293 10 0 ECAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)Nc1nccn(C)c1=O)CC2 ZINC000183847501 164959340 /nfs/dbraw/zinc/95/93/40/164959340.db2.gz ZUCWOFNBDNBRRB-JTQLQIEISA-N 0 0 331.380 0.632 10 0 ECAERN O=C(NC1CN(C(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)C1)C1CCC1 ZINC000188502565 164999376 /nfs/dbraw/zinc/99/93/76/164999376.db2.gz NWJPQLDFRNTNPR-SNVBAGLBSA-N 0 0 347.337 0.524 10 0 ECAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1ccc(-n2cccn2)c(F)c1 ZINC000188684787 165000650 /nfs/dbraw/zinc/00/06/50/165000650.db2.gz SWGCBCWSYZMTHR-IUODEOHRSA-N 0 0 332.335 0.932 10 0 ECAERN COC(=O)Cc1cccc(C(=O)N2CC[C@@H](N3CCOCC3)C2)c1 ZINC000189197092 165007381 /nfs/dbraw/zinc/00/73/81/165007381.db2.gz RXPCDIGZXNPZOD-MRXNPFEDSA-N 0 0 332.400 0.949 10 0 ECAERN CC(=O)NC1CN(C(=O)[C@H]2CCC(=O)N2Cc2ccc(C)cc2)C1 ZINC000190526709 165022574 /nfs/dbraw/zinc/02/25/74/165022574.db2.gz QQSZWKBINQITOO-MRXNPFEDSA-N 0 0 329.400 0.833 10 0 ECAERN C[C@H]1C(=O)NCCCN1C(=O)C(=O)Nc1cccc2cnccc21 ZINC000190677984 165023825 /nfs/dbraw/zinc/02/38/25/165023825.db2.gz DNDMLHOAFFXHLZ-NSHDSACASA-N 0 0 326.356 0.910 10 0 ECAERN CCCCNC(=O)NC(=O)CN1CCO[C@H](c2cnn(CC)c2)C1 ZINC000190788871 165025813 /nfs/dbraw/zinc/02/58/13/165025813.db2.gz OFRJMCZSYCAMJL-AWEZNQCLSA-N 0 0 337.424 0.902 10 0 ECAERN CC(=O)NC1CN(C(=O)C(=O)Nc2cnn(-c3ccccc3F)c2)C1 ZINC000191343602 165030204 /nfs/dbraw/zinc/03/02/04/165030204.db2.gz AVGWNUYHBNWHRS-UHFFFAOYSA-N 0 0 345.334 0.297 10 0 ECAERN C[C@@H]1C(=O)NCCCN1C(=O)NCc1ccc(C(=O)N(C)C)cc1 ZINC000191229646 165030603 /nfs/dbraw/zinc/03/06/03/165030603.db2.gz JNNRHTHUKVFURY-GFCCVEGCSA-N 0 0 332.404 0.808 10 0 ECAERN C[C@@H]1C(=O)NCCCN1C(=O)N[C@H]1CCN(c2ncccc2F)C1 ZINC000191465192 165032888 /nfs/dbraw/zinc/03/28/88/165032888.db2.gz LEOKTGAJEOOUPB-NEPJUHHUSA-N 0 0 335.383 0.719 10 0 ECAERN CC(=O)[C@H]1CC(C(=O)N2CCCNC(=O)[C@H]2C)=NN1c1ccccc1 ZINC000191769277 165037280 /nfs/dbraw/zinc/03/72/80/165037280.db2.gz CPXQIMJDAGDIMW-MLGOLLRUSA-N 0 0 342.399 0.947 10 0 ECAERN O=C(COc1ccc(F)cc1F)NC[C@@H](O)CN1CCOCC1 ZINC000192707033 165045269 /nfs/dbraw/zinc/04/52/69/165045269.db2.gz FSHNXJBNWVAFRH-GFCCVEGCSA-N 0 0 330.331 0.153 10 0 ECAERN C[C@H](NC(=O)Nc1ccccc1)C(=O)NCc1nc(N(C)C)no1 ZINC000193894395 165061782 /nfs/dbraw/zinc/06/17/82/165061782.db2.gz XVQNCBHAYGZPMB-JTQLQIEISA-N 0 0 332.364 0.962 10 0 ECAERN Cc1nc(-c2ncccn2)sc1C(=O)NC[C@@H]1CN(C)CCO1 ZINC000194751171 165072255 /nfs/dbraw/zinc/07/22/55/165072255.db2.gz KYVKBCWPRHKRGS-LLVKDONJSA-N 0 0 333.417 0.969 10 0 ECAERN CC(C)n1nnnc1CS(=O)(=O)CC(=O)N[C@H]1CCCC[C@@H]1C ZINC000195427762 165081302 /nfs/dbraw/zinc/08/13/02/165081302.db2.gz OZEGKBHSUPXUFZ-RYUDHWBXSA-N 0 0 343.453 0.864 10 0 ECAERN O=C(CN1CCCC[C@H]1c1nnc2n1CCCC2)N1CCNC1=O ZINC000195510643 165084194 /nfs/dbraw/zinc/08/41/94/165084194.db2.gz BMOORMTVCMCODM-LBPRGKRZSA-N 0 0 332.408 0.693 10 0 ECAERN CCNC(=O)NC(=O)CN1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000195510773 165085179 /nfs/dbraw/zinc/08/51/79/165085179.db2.gz PKLPGNQRFAVUMV-LBPRGKRZSA-N 0 0 334.424 0.987 10 0 ECAERN CC(=O)N[C@@H]1CCCN([C@@H]2CC(=O)N([C@H](C)c3cccnc3)C2=O)C1 ZINC000246207494 165125927 /nfs/dbraw/zinc/12/59/27/165125927.db2.gz ALTPWLOIWHOKER-DAXOMENPSA-N 0 0 344.415 0.871 10 0 ECAERN Cc1noc(C)c1S(=O)(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000246552771 165137102 /nfs/dbraw/zinc/13/71/02/165137102.db2.gz RACXGNKUUOJSAH-MFKMUULPSA-N 0 0 329.422 0.633 10 0 ECAERN CCOCCN1CCN([C@H]2CCN(c3cnn(C)c3)C2=O)C[C@@H]1C ZINC000247487730 165162074 /nfs/dbraw/zinc/16/20/74/165162074.db2.gz GLPAUMYSCAMEAH-HOCLYGCPSA-N 0 0 335.452 0.568 10 0 ECAERN C[C@@H](NC(=O)c1ccco1)C(=O)N1CCNC[C@@H]1c1nccn1C ZINC000261832299 165249333 /nfs/dbraw/zinc/24/93/33/165249333.db2.gz ZDQJGQZMWJHVBP-VXGBXAGGSA-N 0 0 331.376 0.305 10 0 ECAERN Cc1ccc(C(=O)N2CCN(C(=O)C3([NH3+])CCOCC3)CC2)cc1F ZINC000261864225 165254003 /nfs/dbraw/zinc/25/40/03/165254003.db2.gz NNBIADZDYIRNKM-UHFFFAOYSA-N 0 0 349.406 0.926 10 0 ECAERN C[C@H](CNC(=O)C(=O)Nc1c(F)cccc1F)N1CCOCC1 ZINC000041600916 298680857 /nfs/dbraw/zinc/68/08/57/298680857.db2.gz FASTWCRYSRVPTJ-SNVBAGLBSA-N 0 0 327.331 0.740 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NS(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)C1 ZINC000262454094 165351839 /nfs/dbraw/zinc/35/18/39/165351839.db2.gz HAUZZYNIUYGQOE-FEPKRQSRSA-N 0 0 347.481 0.736 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NS(=O)(=O)C[C@@H]2CCCCO2)C1 ZINC000262452585 165352035 /nfs/dbraw/zinc/35/20/35/165352035.db2.gz GHDYFTWOCXUXKM-BPCQOVAHSA-N 0 0 334.438 0.412 10 0 ECAERN CC[C@H](OC1CCCC1)C(=O)N1CCO[C@H](C[N@H+](C)CC(=O)[O-])C1 ZINC000262817943 165391589 /nfs/dbraw/zinc/39/15/89/165391589.db2.gz GNIXMWYPSXTUCJ-CABCVRRESA-N 0 0 342.436 0.968 10 0 ECAERN C[N@@H+](CC(=O)[O-])C[C@@H]1CN(C(=O)Cn2cc3ccccc3n2)CCO1 ZINC000262865111 165396316 /nfs/dbraw/zinc/39/63/16/165396316.db2.gz BWGFIONVCLWQCN-CQSZACIVSA-N 0 0 346.387 0.280 10 0 ECAERN COCCN1C(=O)N[C@@H]2CN(C(=O)Cn3nc(C)cc3C)CC[C@@H]21 ZINC000299740485 296880972 /nfs/dbraw/zinc/88/09/72/296880972.db2.gz BBZVKUZYVFESAF-KGLIPLIRSA-N 0 0 335.408 0.141 10 0 ECAERN CC(C)C(=O)N[C@H]1CCCN(c2nnc(Cl)cc2C(N)=O)C1 ZINC000301565832 296888903 /nfs/dbraw/zinc/88/89/03/296888903.db2.gz KOCSHBFDBSTOLM-VIFPVBQESA-N 0 0 325.800 0.970 10 0 ECAERN C[C@@H](O)CN1CCN(S(=O)(=O)c2ccc(Cl)nc2)C[C@@H]1C ZINC000122429917 222085000 /nfs/dbraw/zinc/08/50/00/222085000.db2.gz SCGVLKQDMPGHQW-WDEREUQCSA-N 0 0 333.841 0.811 10 0 ECAERN CCn1cc(C2CCN(C(=O)CN3CCCS3(=O)=O)CC2)cn1 ZINC000123801174 222334468 /nfs/dbraw/zinc/33/44/68/222334468.db2.gz DLFAKLVFKJAOIR-UHFFFAOYSA-N 0 0 340.449 0.645 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)NC(C)C)CC2 ZINC000123935886 222354234 /nfs/dbraw/zinc/35/42/34/222354234.db2.gz HZMCHORLNCMQLX-STQMWFEESA-N 0 0 348.451 0.854 10 0 ECAERN CCn1cc(NC(=O)C(=O)N2CCC[C@H]2c2cnn(C)c2)ccc1=O ZINC000124236466 222396347 /nfs/dbraw/zinc/39/63/47/222396347.db2.gz ZIQQHZOCRURJPD-AWEZNQCLSA-N 0 0 343.387 0.904 10 0 ECAERN O=S(=O)(CC[C@H]1CCCO1)N1CCC[C@@H](Cn2cncn2)C1 ZINC000245524411 545937034 /nfs/dbraw/zinc/93/70/34/545937034.db2.gz NNMQCAMXXRFUDD-UONOGXRCSA-N 0 0 328.438 0.889 10 0 ECAERN Cc1ccc(C[C@@H](CO)NC(=O)NC[C@@H](C)N2CCOCC2)cc1 ZINC000191939530 263165799 /nfs/dbraw/zinc/16/57/99/263165799.db2.gz VHMPZCJAKZUILI-WBVHZDCISA-N 0 0 335.448 0.918 10 0 ECAERN Cc1ccc([C@@H](C)N[C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)o1 ZINC000193642740 263167903 /nfs/dbraw/zinc/16/79/03/263167903.db2.gz OAYAJNUSXCHUMW-ZJUUUORDSA-N 0 0 334.376 0.490 10 0 ECAERN CC(C)CC(=O)N[C@H](C(=O)N1CCN(CCO)[C@H](C)C1)C(C)C ZINC000250052776 263176662 /nfs/dbraw/zinc/17/66/62/263176662.db2.gz MDGONXKLUSTGCM-ZBFHGGJFSA-N 0 0 327.469 0.698 10 0 ECAERN COC[C@@H]1C[C@H](OC)CN1S(=O)(=O)c1c[nH]c2ncccc12 ZINC000284892307 264253336 /nfs/dbraw/zinc/25/33/36/264253336.db2.gz FRNBXMWNYPHOOZ-QWRGUYRKSA-N 0 0 325.390 0.987 10 0 ECAERN C[C@@H]1OCC[C@H]1NC(=O)c1cnn(C)c1I ZINC000294666627 265014981 /nfs/dbraw/zinc/01/49/81/265014981.db2.gz TYHSRRDPDLCLDN-POYBYMJQSA-N 0 0 335.145 0.932 10 0 ECAERN C[C@H]1[C@@H](O)CCCN1C(=O)Cn1cc(Br)ccc1=O ZINC000296249904 265100536 /nfs/dbraw/zinc/10/05/36/265100536.db2.gz XNHZSBINKVOHLR-ONGXEEELSA-N 0 0 329.194 0.983 10 0 ECAERN COC(=O)[C@@H]1CCCCN1C[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000298174510 265227943 /nfs/dbraw/zinc/22/79/43/265227943.db2.gz UDQPVMTWMFWRQO-WFASDCNBSA-N 0 0 346.383 0.671 10 0 ECAERN CC(=O)NC(=S)N1CCN(c2nc(C)nc3c(C)nn(C)c32)CC1 ZINC000028559385 275476682 /nfs/dbraw/zinc/47/66/82/275476682.db2.gz CHWJOLWHWORHGD-UHFFFAOYSA-N 0 0 347.448 0.523 10 0 ECAERN CCS(=O)(=O)c1ccccc1C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000112658180 276393971 /nfs/dbraw/zinc/39/39/71/276393971.db2.gz RHLZSWFAEWPEHO-LLVKDONJSA-N 0 0 334.401 0.817 10 0 ECAERN CNC(=O)CN1CCC(NC(=O)N2CCCC[C@H]2c2cn[nH]c2)CC1 ZINC000182355148 276999704 /nfs/dbraw/zinc/99/97/04/276999704.db2.gz GKPWXCYCZCTUGQ-HNNXBMFYSA-N 0 0 348.451 0.857 10 0 ECAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)N1CCN(C)C(=O)[C@@H]1C)CC2 ZINC000187192921 278077746 /nfs/dbraw/zinc/07/77/46/278077746.db2.gz VZAZOCGDZLJEII-NWDGAFQWSA-N 0 0 334.424 0.588 10 0 ECAERN O=C(NC1CN(C(=O)c2csc(-c3cnccn3)n2)C1)C1CC1 ZINC000189484331 437601568 /nfs/dbraw/zinc/60/15/68/437601568.db2.gz KKGVYUQMTNFVON-UHFFFAOYSA-N 0 0 329.385 0.951 10 0 ECAERN COC(=O)Cc1cccc(C(=O)N2CCN(C[C@@H](C)O)[C@H](C)C2)c1 ZINC000189893298 437611343 /nfs/dbraw/zinc/61/13/43/437611343.db2.gz XRCQPTZTAWKYKF-ZIAGYGMSSA-N 0 0 334.416 0.929 10 0 ECAERN CCOc1c(Cl)cccc1CC(=O)N1CCOC[C@@H]1C(N)=O ZINC000189936005 437613137 /nfs/dbraw/zinc/61/31/37/437613137.db2.gz BCHRKAYZYGEDDV-GFCCVEGCSA-N 0 0 326.780 0.994 10 0 ECAERN COC[C@H](O)CCNC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 ZINC000245733440 293170940 /nfs/dbraw/zinc/17/09/40/293170940.db2.gz JXFGUSUUJVUYJE-IIAWOOMASA-N 0 0 338.379 0.859 10 0 ECAERN O=C(C1CCCC1)N1CCC[C@H]1C(=O)N1CCN2C(=O)N=NC2C1 ZINC000333088104 297108582 /nfs/dbraw/zinc/10/85/82/297108582.db2.gz NOBABGIQKORVKO-LBPRGKRZSA-N 0 0 333.392 0.507 10 0 ECAERN O=C(N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1)c1cn([C@H]2CCOC2)nn1 ZINC000333092147 297108708 /nfs/dbraw/zinc/10/87/08/297108708.db2.gz SYFYCLPZQCOMPT-RDBSUJKOSA-N 0 0 347.419 0.760 10 0 ECAERN C[C@H](CC(=O)NCCC(=O)N1CCN(C)CC1)N1CCCCC1=O ZINC000333410324 297131913 /nfs/dbraw/zinc/13/19/13/297131913.db2.gz GSUOVENCPFRLKD-CQSZACIVSA-N 0 0 338.452 0.058 10 0 ECAERN O=C(N1CCOCC1)N1CCNC(=O)[C@@H]1Cc1nc2ccccc2o1 ZINC000333453461 297135550 /nfs/dbraw/zinc/13/55/50/297135550.db2.gz OAYQFVWAFSGLGS-ZDUSSCGKSA-N 0 0 344.371 0.623 10 0 ECAERN C[C@H](C(=O)NC[C@H]1CCCC[C@H]1O)N1C(=O)NC2(CCCC2)C1=O ZINC000361003572 300051169 /nfs/dbraw/zinc/05/11/69/300051169.db2.gz DIULBTHEEQCGDS-JHJVBQTASA-N 0 0 337.420 0.907 10 0 ECAERN CCCCN1CCOC[C@@H]1C(=O)N1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000364788361 300389497 /nfs/dbraw/zinc/38/94/97/300389497.db2.gz MZTLYHAMTZBAJS-BFYDXBDKSA-N 0 0 326.437 0.894 10 0 ECAERN C[C@@H]1CN(C(=O)N[C@@H]2CCCC[C@H]2S(C)(=O)=O)CC(=O)N1C ZINC000368138059 300651060 /nfs/dbraw/zinc/65/10/60/300651060.db2.gz DUVXNUZNFVTNII-IJLUTSLNSA-N 0 0 331.438 0.214 10 0 ECAERN COc1ccc(C)cc1NC(=O)CN(C)S(=O)(=O)c1c[nH]cn1 ZINC000013110838 436060096 /nfs/dbraw/zinc/06/00/96/436060096.db2.gz YHFQKFUKCMVRAN-UHFFFAOYSA-N 0 0 338.389 0.986 10 0 ECAERN C[C@H](Oc1ccc2c(c1)OCO2)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000015332053 436079135 /nfs/dbraw/zinc/07/91/35/436079135.db2.gz OALASPPSBQGVAO-UWVGGRQHSA-N 0 0 327.358 0.486 10 0 ECAERN COC(=O)N[C@H](CC(C)C)C(=O)N1CCN(c2cnn(C)c2)CC1 ZINC000074395165 436126762 /nfs/dbraw/zinc/12/67/62/436126762.db2.gz UAIQSZPVSWXBJS-CQSZACIVSA-N 0 0 337.424 0.839 10 0 ECAERN COc1ccc(Cl)cc1S(=O)(=O)NC[C@@H]1CN(C)CCO1 ZINC000074773769 436138636 /nfs/dbraw/zinc/13/86/36/436138636.db2.gz SRSXJDFHMWPGCQ-LLVKDONJSA-N 0 0 334.825 0.958 10 0 ECAERN C[C@@H](NC(=O)N1CCO[C@@H](C(N)=O)C1)c1cccc(-n2ccnc2)c1 ZINC000074875994 436142744 /nfs/dbraw/zinc/14/27/44/436142744.db2.gz ZPHMTWVTSYCAGD-IUODEOHRSA-N 0 0 343.387 0.829 10 0 ECAERN Cc1ccc(-c2nnn(CC(=O)NC[C@H](C)N3CCOCC3)n2)cc1 ZINC000076149013 436190361 /nfs/dbraw/zinc/19/03/61/436190361.db2.gz TTZQETFWEYESDA-AWEZNQCLSA-N 0 0 344.419 0.485 10 0 ECAERN C[C@@H]1CN(C(=O)C2=NN(c3ccc(F)cc3)[C@H](C(N)=O)C2)C[C@@H](C)O1 ZINC000029402572 436201474 /nfs/dbraw/zinc/20/14/74/436201474.db2.gz HILARZKAYPVIDG-HFAKWTLXSA-N 0 0 348.378 0.882 10 0 ECAERN CNC(=O)c1cccc(CCNC(=O)NC[C@@H](C)N2CCOCC2)c1 ZINC000077773922 436252062 /nfs/dbraw/zinc/25/20/62/436252062.db2.gz CITBMUNBIZYHRS-CQSZACIVSA-N 0 0 348.447 0.609 10 0 ECAERN COCCN(C[C@@H]1CN(C[C@H](C)O)CCO1)C(=O)c1ccccc1 ZINC000034667323 436254612 /nfs/dbraw/zinc/25/46/12/436254612.db2.gz PKGCNUSDMGOINC-RDJZCZTQSA-N 0 0 336.432 0.857 10 0 ECAERN C[C@@H](CNC(=O)C(=O)Nc1ccccc1N(C)C)N1CCOCC1 ZINC000041601325 436279349 /nfs/dbraw/zinc/27/93/49/436279349.db2.gz NDHSZXGALZCRNY-ZDUSSCGKSA-N 0 0 334.420 0.528 10 0 ECAERN O=C(Cn1cc(C(F)(F)F)ccc1=O)N[C@H]1CCCCNC1=O ZINC000044934174 436353675 /nfs/dbraw/zinc/35/36/75/436353675.db2.gz QACCJFADWKTJBV-JTQLQIEISA-N 0 0 331.294 0.652 10 0 ECAERN CNc1nc(N2CCn3nc(CNC(C)=O)cc3C2)nc2c1CCC2 ZINC000082137752 436363836 /nfs/dbraw/zinc/36/38/36/436363836.db2.gz KBJYRXMPPJVPSK-UHFFFAOYSA-N 0 0 341.419 0.860 10 0 ECAERN CNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCn3nc(C)nc32)o1 ZINC000081813354 436356991 /nfs/dbraw/zinc/35/69/91/436356991.db2.gz BTUUUCVTYJTJPL-SECBINFHSA-N 0 0 339.377 0.353 10 0 ECAERN Cc1ccc(-n2cnnn2)cc1NC(=O)NC[C@@H](C)N1CCOCC1 ZINC000047927027 436433084 /nfs/dbraw/zinc/43/30/84/436433084.db2.gz WWFMANYZOGWNMY-CYBMUJFWSA-N 0 0 345.407 0.813 10 0 ECAERN Cc1ccn(C)c(=O)c1NC(=O)C(=O)N[C@@H]1COc2ccccc21 ZINC000091215953 436444914 /nfs/dbraw/zinc/44/49/14/436444914.db2.gz CCBFWUAHBPLLDM-GFCCVEGCSA-N 0 0 327.340 0.882 10 0 ECAERN C[C@H](CNC(=O)NCc1ccc(C(=O)N(C)C)cc1)N1CCOCC1 ZINC000048467574 436452251 /nfs/dbraw/zinc/45/22/51/436452251.db2.gz UEHVRHKQTUGDGL-CQSZACIVSA-N 0 0 348.447 0.908 10 0 ECAERN CCCCn1nc(CC(N)=O)nc1-c1cnc2c(O)cccn2c1=O ZINC000096161485 436518254 /nfs/dbraw/zinc/51/82/54/436518254.db2.gz CZZLGJVYTMCRPR-UHFFFAOYSA-N 0 0 342.359 0.487 10 0 ECAERN COC(=O)CCC1OCC2(CO1)COC(CCC(=O)OC)OC2 ZINC000095932132 436499237 /nfs/dbraw/zinc/49/92/37/436499237.db2.gz SVWFMBDNLANIPR-UHFFFAOYSA-N 0 0 332.349 0.625 10 0 ECAERN CCNC(=O)NC(=O)[C@H](C)N1CCC(N(C)c2cccnn2)CC1 ZINC000105806131 436577688 /nfs/dbraw/zinc/57/76/88/436577688.db2.gz YUSSGIUTYYJYGS-LBPRGKRZSA-N 0 0 334.424 0.611 10 0 ECAERN CC(C)NC(=O)NC(=O)[C@H](C)N1CCC(N(C)c2cccnn2)CC1 ZINC000105806664 436578863 /nfs/dbraw/zinc/57/88/63/436578863.db2.gz JDKBQPSZQUVSBA-ZDUSSCGKSA-N 0 0 348.451 1.000 10 0 ECAERN COCCCNC(=O)[C@@H](C)N1CCC(N(C)c2cccnn2)CC1 ZINC000105806853 436579060 /nfs/dbraw/zinc/57/90/60/436579060.db2.gz AGZOVJUMQGWTDT-CQSZACIVSA-N 0 0 335.452 0.918 10 0 ECAERN NC(=O)c1cccc(CN2CCN(c3ccc4nncn4n3)CC2)c1 ZINC000105817164 436579776 /nfs/dbraw/zinc/57/97/76/436579776.db2.gz YKBCQQHDCYQFQC-UHFFFAOYSA-N 0 0 337.387 0.545 10 0 ECAERN CN1CCO[C@H](CNC(=O)NCCC(=O)NC2CCCCC2)C1 ZINC000104791051 436562441 /nfs/dbraw/zinc/56/24/41/436562441.db2.gz ZLGWRMFIGVRXQD-CQSZACIVSA-N 0 0 326.441 0.455 10 0 ECAERN CN1CCO[C@@H](CNC(=O)NCc2ccnc(-n3cccn3)c2)C1 ZINC000104781979 436564293 /nfs/dbraw/zinc/56/42/93/436564293.db2.gz CZNREDLMNFFSTN-AWEZNQCLSA-N 0 0 330.392 0.397 10 0 ECAERN CCCCNC(=O)[C@@H]1CCCN(C(=O)NC[C@@H]2CN(C)CCO2)C1 ZINC000104798550 436564433 /nfs/dbraw/zinc/56/44/33/436564433.db2.gz HQYVGNAOPUNDSO-HUUCEWRRSA-N 0 0 340.468 0.655 10 0 ECAERN CN1CCO[C@@H](CNC(=O)N[C@@H]2CCN(c3ccccc3)C2=O)C1 ZINC000109360405 436624480 /nfs/dbraw/zinc/62/44/80/436624480.db2.gz OPDTXRKBIRIVCK-LSDHHAIUSA-N 0 0 332.404 0.422 10 0 ECAERN CCc1noc([C@@H](C)N2CCN(CCNS(=O)(=O)CC)CC2)n1 ZINC000109329028 436624562 /nfs/dbraw/zinc/62/45/62/436624562.db2.gz YCLIXQUEEYXNNG-GFCCVEGCSA-N 0 0 345.469 0.250 10 0 ECAERN NC(=O)COc1ccccc1C(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000105853817 436582154 /nfs/dbraw/zinc/58/21/54/436582154.db2.gz ZDMQMIWJGTYVOX-GFCCVEGCSA-N 0 0 329.360 0.620 10 0 ECAERN CCNC(=O)NC(=O)[C@H](C)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000105869008 436582621 /nfs/dbraw/zinc/58/26/21/436582621.db2.gz BQLFRBNIACCVFG-ZDUSSCGKSA-N 0 0 336.440 0.162 10 0 ECAERN CC(C)S(=O)(=O)CCN1CCCN(Cc2cnn(C)c2)CC1 ZINC000105867783 436584100 /nfs/dbraw/zinc/58/41/00/436584100.db2.gz ZHKBFLVJQYSLIU-UHFFFAOYSA-N 0 0 328.482 0.751 10 0 ECAERN COC(=O)[C@H](CC(C)C)NC(=O)CN1CCC[C@H](n2cncn2)C1 ZINC000105898384 436585881 /nfs/dbraw/zinc/58/58/81/436585881.db2.gz IQMJXMXUOCBUNO-KBPBESRZSA-N 0 0 337.424 0.619 10 0 ECAERN Cc1n[nH]c(C)c1NC(=O)CN1CCCN(Cc2cnn(C)c2)CC1 ZINC000105917637 436586995 /nfs/dbraw/zinc/58/69/95/436586995.db2.gz JGYGQELQUNJHLY-UHFFFAOYSA-N 0 0 345.451 0.906 10 0 ECAERN O=C([C@H]1CNC(=O)C1)N(CCCN1CCOCC1)Cc1ccncc1 ZINC000106772563 436602313 /nfs/dbraw/zinc/60/23/13/436602313.db2.gz RXHFSCBLUNICBR-MRXNPFEDSA-N 0 0 346.431 0.269 10 0 ECAERN CN(C)[C@H](Cc1ccccc1)C(=O)N(C)CC(=O)N1CCOCC1 ZINC000106902452 436605583 /nfs/dbraw/zinc/60/55/83/436605583.db2.gz JGJNEKNERMTYCM-MRXNPFEDSA-N 0 0 333.432 0.477 10 0 ECAERN Cc1cnn(C[C@@H]2CN(C(=O)NCc3ccnc(C)n3)CCO2)c1 ZINC000112107663 436632643 /nfs/dbraw/zinc/63/26/43/436632643.db2.gz QYEHARSFDWSFDC-HNNXBMFYSA-N 0 0 330.392 0.901 10 0 ECAERN C[C@@H](NC(N)=O)C(=O)N1CCN(Cc2cnn(C(C)(C)C)c2)CC1 ZINC000113921781 436638352 /nfs/dbraw/zinc/63/83/52/436638352.db2.gz SXZDIJMYDAABPM-GFCCVEGCSA-N 0 0 336.440 0.339 10 0 ECAERN Cc1nc(-c2cnn(C)c2)sc1C(=O)NC[C@H]1CN(C)CCO1 ZINC000115351327 436646191 /nfs/dbraw/zinc/64/61/91/436646191.db2.gz LOWNAKCDMOSGGP-LBPRGKRZSA-N 0 0 335.433 0.912 10 0 ECAERN Cn1c2[nH]c(CN3CCC[C@@H]3c3ccco3)nc2c(=O)n(C)c1=O ZINC000116292558 436650206 /nfs/dbraw/zinc/65/02/06/436650206.db2.gz IZJHECZHFINXTB-SNVBAGLBSA-N 0 0 329.360 0.890 10 0 ECAERN CCC(=O)N1CC[C@@H](NC(=O)N2CCO[C@H](Cn3cccn3)C2)C1 ZINC000151664727 436708665 /nfs/dbraw/zinc/70/86/65/436708665.db2.gz SZPLBODCKUBRBL-KGLIPLIRSA-N 0 0 335.408 0.304 10 0 ECAERN Cc1cc(O)cc(=O)n1CC(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000151639636 436708803 /nfs/dbraw/zinc/70/88/03/436708803.db2.gz DBLOTZCNGOCGOM-GFCCVEGCSA-N 0 0 345.403 0.708 10 0 ECAERN Cc1cccc(OC[C@H]2C[C@@H](NC(=O)c3ccno3)[C@H](O)[C@@H]2O)n1 ZINC000225506011 436712306 /nfs/dbraw/zinc/71/23/06/436712306.db2.gz XMKHXYFUAVVYMD-FKGLVLAHSA-N 0 0 333.344 0.297 10 0 ECAERN CCc1cc(N2CCC[C@@H]2C(=O)N2CCN(C)CC2)n2ncnc2n1 ZINC000065504370 436664550 /nfs/dbraw/zinc/66/45/50/436664550.db2.gz PZLNHNKPWOKNMX-CQSZACIVSA-N 0 0 343.435 0.430 10 0 ECAERN Cn1cc([C@@H]2CCN([C@@H]3CC(=O)N(CC(F)(F)F)C3=O)C2)cn1 ZINC000195242798 436683681 /nfs/dbraw/zinc/68/36/81/436683681.db2.gz JNHUJKBNROAJKC-MWLCHTKSSA-N 0 0 330.310 0.899 10 0 ECAERN CCC[C@@H]1CN(C[C@H](O)CN2CCCC2=O)CC[N@@H+]1CCOC ZINC000121902015 436728181 /nfs/dbraw/zinc/72/81/81/436728181.db2.gz DUZLBXXCVLLKOA-CVEARBPZSA-N 0 0 327.469 0.402 10 0 ECAERN C[C@@H]1CN(C(=O)CCc2nc(C3CCCC3)no2)C[C@@H](C(N)=O)O1 ZINC000122412997 436735823 /nfs/dbraw/zinc/73/58/23/436735823.db2.gz UYJRPPUDNQKVJU-PWSUYJOCSA-N 0 0 336.392 0.761 10 0 ECAERN O=C(CCOc1cccc(Cl)c1)NC[C@@H](O)CN1CCOCC1 ZINC000123561052 436740516 /nfs/dbraw/zinc/74/05/16/436740516.db2.gz QAXCZNOMZUAPBH-CQSZACIVSA-N 0 0 342.823 0.918 10 0 ECAERN CCn1cc(C2CCN(C(=O)C(=O)Nc3ccnn3C)CC2)cn1 ZINC000153477064 436756245 /nfs/dbraw/zinc/75/62/45/436756245.db2.gz CCAKIQQSKNDREY-UHFFFAOYSA-N 0 0 330.392 0.981 10 0 ECAERN COc1c(CNC(=O)N2CC(=O)N[C@H]3CCCC[C@@H]32)c(C)nn1C ZINC000153763565 436762818 /nfs/dbraw/zinc/76/28/18/436762818.db2.gz LMQXXAIAHAMLRL-STQMWFEESA-N 0 0 335.408 0.690 10 0 ECAERN CC[C@@H]1CN(C(=O)CSc2n[nH]c(C)n2)CCN1C[C@H](C)O ZINC000245444861 436763023 /nfs/dbraw/zinc/76/30/23/436763023.db2.gz YKXYKJRKKZPUPR-CMPLNLGQSA-N 0 0 327.454 0.509 10 0 ECAERN CNc1cc(N2CCC[C@@H]2CNC(=O)N[C@@H]2CCC[C@H]2O)ncn1 ZINC000245418800 436763188 /nfs/dbraw/zinc/76/31/88/436763188.db2.gz APZFQXJIVFXYJX-JHJVBQTASA-N 0 0 334.424 0.700 10 0 ECAERN CC[C@@H]1CN(C(=O)C(=O)Nc2cccc(C)n2)CCN1C[C@H](C)O ZINC000248716218 436809764 /nfs/dbraw/zinc/80/97/64/436809764.db2.gz BHCZXRCESSGKRI-UONOGXRCSA-N 0 0 334.420 0.632 10 0 ECAERN CC[C@H](Oc1ccccc1C)C(=O)NC[C@H](O)CN1CCOCC1 ZINC000128029820 436811469 /nfs/dbraw/zinc/81/14/69/436811469.db2.gz UNUATPLMKUJWMD-HOTGVXAUSA-N 0 0 336.432 0.962 10 0 ECAERN CCC[C@](C)(O)C(=O)N1CCN(c2nc(C)nc3c2cnn3C)CC1 ZINC000126005426 436779819 /nfs/dbraw/zinc/77/98/19/436779819.db2.gz PCTLNAUAGPLTAN-KRWDZBQOSA-N 0 0 346.435 0.871 10 0 ECAERN CN1CC(=O)N(CCCC(=O)N2CCC(Cn3cccn3)CC2)C1=O ZINC000125930382 436781262 /nfs/dbraw/zinc/78/12/62/436781262.db2.gz NRGDSRRZNJTOPZ-UHFFFAOYSA-N 0 0 347.419 0.796 10 0 ECAERN Cc1ncc(CN2CCN(C(=O)C(=O)Nc3ccnn3C)CC2)s1 ZINC000154537786 436781490 /nfs/dbraw/zinc/78/14/90/436781490.db2.gz CSHBILJRZZWLAA-UHFFFAOYSA-N 0 0 348.432 0.468 10 0 ECAERN COCCN1C[C@H](C(=O)N2CCC(Cn3cccn3)CC2)CC1=O ZINC000126175279 436783367 /nfs/dbraw/zinc/78/33/67/436783367.db2.gz IPBROKQHWHAABL-OAHLLOKOSA-N 0 0 334.420 0.617 10 0 ECAERN C[C@H](O)CN1CCN(C(=O)C(=O)Nc2ccc(F)c(F)c2)C[C@@H]1C ZINC000247219804 436790231 /nfs/dbraw/zinc/79/02/31/436790231.db2.gz YJASRARFVGNXMA-QWRGUYRKSA-N 0 0 341.358 0.817 10 0 ECAERN CCS(=O)(=O)N[C@H](CCSC)C(=O)N1CC[C@@H](CCO)C1 ZINC000126851535 436793452 /nfs/dbraw/zinc/79/34/52/436793452.db2.gz DROQYRNLFDYQJX-NWDGAFQWSA-N 0 0 338.495 0.278 10 0 ECAERN CN1C[C@@H](NC(=O)N2CCC(Nc3cccnn3)CC2)CCC1=O ZINC000155397694 436795172 /nfs/dbraw/zinc/79/51/72/436795172.db2.gz OQWOJGPKCXQNPE-ZDUSSCGKSA-N 0 0 332.408 0.683 10 0 ECAERN Cc1ccn(C)c(=O)c1NC(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000155496826 436796703 /nfs/dbraw/zinc/79/67/03/436796703.db2.gz VKWYJXRMXXMGFX-KGLIPLIRSA-N 0 0 334.420 0.878 10 0 ECAERN CCOCCN1CCN(C(=O)N[C@H](C)C[S@@](C)=O)C[C@H]1CC ZINC000248505231 436804412 /nfs/dbraw/zinc/80/44/12/436804412.db2.gz WADURQSMYKVLAA-XDEPDNQISA-N 0 0 333.498 0.896 10 0 ECAERN O=C1CCCN1C[C@H](O)CN1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000131079854 436844805 /nfs/dbraw/zinc/84/48/05/436844805.db2.gz GTPYPWQLNCGUFL-MRXNPFEDSA-N 0 0 349.406 0.453 10 0 ECAERN Cn1c(=O)[nH]nc1Sc1ncc(I)cn1 ZINC000159270891 436855713 /nfs/dbraw/zinc/85/57/13/436855713.db2.gz CNMCIXSFOVPUBL-UHFFFAOYSA-N 0 0 335.130 0.654 10 0 ECAERN O=C([C@H]1COc2ccccc2O1)N1CCCOCCNC(=O)CC1 ZINC000257175341 436856793 /nfs/dbraw/zinc/85/67/93/436856793.db2.gz ATBIDFWUTSDXBK-OAHLLOKOSA-N 0 0 334.372 0.582 10 0 ECAERN O=C(Cc1ccc(F)cc1)N[C@@H]1CN(c2ccncn2)C[C@H]1CO ZINC000257195414 436859730 /nfs/dbraw/zinc/85/97/30/436859730.db2.gz WBHGBXWAZVMWJP-DZGCQCFKSA-N 0 0 330.363 0.772 10 0 ECAERN CCN(Cc1nc2ccccc2c(=O)[nH]1)C[C@H](O)CN1CCCC1=O ZINC000157817708 436834374 /nfs/dbraw/zinc/83/43/74/436834374.db2.gz ADUGGVZHUDAMRY-ZDUSSCGKSA-N 0 0 344.415 0.728 10 0 ECAERN O=C(Cc1ccc(O)cc1)N1CCN(c2ccc3nncn3n2)CC1 ZINC000133865530 436884646 /nfs/dbraw/zinc/88/46/46/436884646.db2.gz TUXBOZPCUNETDR-UHFFFAOYSA-N 0 0 338.371 0.721 10 0 ECAERN CN1CCO[C@H](CNC(=O)c2cccc(C(=O)N3CCCC3)n2)C1 ZINC000162387795 436904630 /nfs/dbraw/zinc/90/46/30/436904630.db2.gz MUMJGQXHVFKGMD-CYBMUJFWSA-N 0 0 332.404 0.378 10 0 ECAERN CCCCN1CCOC[C@@H]1C(=O)NC1CC([N@H+](CC)CC(=O)[O-])C1 ZINC000263427804 436965112 /nfs/dbraw/zinc/96/51/12/436965112.db2.gz MNGUVNDDWJZAPD-YMAMQOFZSA-N 0 0 341.452 0.541 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)N(C)C[C@@H]2CCC[C@H]2O)C1 ZINC000263439917 436966374 /nfs/dbraw/zinc/96/63/74/436966374.db2.gz DGWUQQZQADNIDY-GFJIZPEISA-N 0 0 327.425 0.726 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)N2CC[C@](C)(C(=O)OC)C2)C1 ZINC000263493458 436967707 /nfs/dbraw/zinc/96/77/07/436967707.db2.gz SAWFOHHCSMSJEX-PPUFBPAQSA-N 0 0 341.408 0.519 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)N2CC[C@@](C)(C(=O)OC)C2)C1 ZINC000263493459 436968359 /nfs/dbraw/zinc/96/83/59/436968359.db2.gz SAWFOHHCSMSJEX-ZEPSKSRBSA-N 0 0 341.408 0.519 10 0 ECAERN CCC(=O)N1CC[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(N)=O)C1 ZINC000136272343 436930024 /nfs/dbraw/zinc/93/00/24/436930024.db2.gz RCQRACDBTSVGOK-KGLIPLIRSA-N 0 0 332.404 0.393 10 0 ECAERN CCCC(=O)N1CCC[C@H]1C(=O)NC1CC([N@H+](CC)CC(=O)[O-])C1 ZINC000262699586 436940358 /nfs/dbraw/zinc/94/03/58/436940358.db2.gz HNVMTVOZNZEKAM-RUXDESIVSA-N 0 0 339.436 0.831 10 0 ECAERN CS(=O)(=O)N(CC(=O)[O-])C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000262864161 436943738 /nfs/dbraw/zinc/94/37/38/436943738.db2.gz BTVJNUNGVHHKTH-AWEZNQCLSA-N 0 0 342.417 0.234 10 0 ECAERN CC(=O)NC1CCN(C(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)CC1 ZINC000169893132 436943766 /nfs/dbraw/zinc/94/37/66/436943766.db2.gz GURFTSLNQNSQKV-NSHDSACASA-N 0 0 343.383 0.798 10 0 ECAERN O=C([C@H]1CC(F)(F)CN1)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000263205615 436955212 /nfs/dbraw/zinc/95/52/12/436955212.db2.gz JQHDHVFEEXAJLF-GHMZBOCLSA-N 0 0 337.392 0.010 10 0 ECAERN COc1ccccc1N1CC[C@@H](NC(=O)[C@@H]2CC(F)(F)CN2)C1=O ZINC000263237825 436958081 /nfs/dbraw/zinc/95/80/81/436958081.db2.gz OGBRTJRPXDUBGC-MNOVXSKESA-N 0 0 339.342 0.914 10 0 ECAERN O=C(CNC(=O)c1ccccn1)N1CCC[C@H](Cn2cncn2)C1 ZINC000172555059 437018932 /nfs/dbraw/zinc/01/89/32/437018932.db2.gz QMRYBRCAZHHUOQ-ZDUSSCGKSA-N 0 0 328.376 0.342 10 0 ECAERN CCOCC[N@@H+]1CCN(C(=O)CNC(=O)c2ccccn2)C[C@H]1CC ZINC000172552300 437019058 /nfs/dbraw/zinc/01/90/58/437019058.db2.gz YMTPENUYQYYEQX-OAHLLOKOSA-N 0 0 348.447 0.771 10 0 ECAERN O=C(c1cccc(-n2cccn2)n1)N1CC[C@H](N2CCOCC2)C1 ZINC000172745665 437028139 /nfs/dbraw/zinc/02/81/39/437028139.db2.gz VBRMCGGWLRSYLL-AWEZNQCLSA-N 0 0 327.388 0.814 10 0 ECAERN O=C(c1cc2c([nH]c1=O)CCCC2)N1CC[C@H](N2CCOCC2)C1 ZINC000172764840 437028616 /nfs/dbraw/zinc/02/86/16/437028616.db2.gz SRMXHMSAICBVRG-AWEZNQCLSA-N 0 0 331.416 0.800 10 0 ECAERN O=C(Cn1c(=O)cnc2ccccc21)N1CC[C@@H](N2CCOCC2)C1 ZINC000172766082 437030254 /nfs/dbraw/zinc/03/02/54/437030254.db2.gz XOWWRBSAGNWPBU-CQSZACIVSA-N 0 0 342.399 0.330 10 0 ECAERN CCc1cc(C(=O)N[C@H]2CCCN(c3cc(C)nn3C)C2=O)[nH]n1 ZINC000173067257 437036869 /nfs/dbraw/zinc/03/68/69/437036869.db2.gz RKCRVDYTICJXPZ-LBPRGKRZSA-N 0 0 330.392 0.939 10 0 ECAERN COC(=O)c1ccc(CCNC(=O)N[C@H]2CCc3ncnn3C2)cc1 ZINC000171866935 436989978 /nfs/dbraw/zinc/98/99/78/436989978.db2.gz QPDJHUHEJFEFLG-AWEZNQCLSA-N 0 0 343.387 0.921 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)N1CCC[C@H](C3OCCO3)C1)CC2 ZINC000172041186 436996991 /nfs/dbraw/zinc/99/69/91/436996991.db2.gz NMUNJSOHNKZBED-QWHCGFSZSA-N 0 0 349.435 0.950 10 0 ECAERN Cc1cnn(CCNC(=O)NCc2ccc(S(N)(=O)=O)s2)c1 ZINC000172268435 437005742 /nfs/dbraw/zinc/00/57/42/437005742.db2.gz XPCZKPWRAQMVIA-UHFFFAOYSA-N 0 0 343.434 0.400 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)CNC(=O)c1ccc(F)cc1)CC2 ZINC000172284422 437006679 /nfs/dbraw/zinc/00/66/79/437006679.db2.gz BYWIFYUSOQGZOS-CYBMUJFWSA-N 0 0 345.378 0.841 10 0 ECAERN CCOCCN1CCN(C(=O)C(=O)Nc2cc(C)on2)C[C@H]1CC ZINC000172298324 437007860 /nfs/dbraw/zinc/00/78/60/437007860.db2.gz QWJBXASUIIGFMU-CYBMUJFWSA-N 0 0 338.408 0.881 10 0 ECAERN Cn1nccc1C1CCN(C(=O)CCN2CCCS2(=O)=O)CC1 ZINC000172382020 437012396 /nfs/dbraw/zinc/01/23/96/437012396.db2.gz ANTFTQNWYQAPHN-UHFFFAOYSA-N 0 0 340.449 0.552 10 0 ECAERN CS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCC(Cn2cccn2)CC1 ZINC000172394212 437012566 /nfs/dbraw/zinc/01/25/66/437012566.db2.gz ZPAFWUGLCRKHRP-CQSZACIVSA-N 0 0 340.449 0.546 10 0 ECAERN CCc1nnc([C@H]2CN(C(=O)CNC(=O)CCC(C)C)CCO2)[nH]1 ZINC000173556458 437056113 /nfs/dbraw/zinc/05/61/13/437056113.db2.gz RDYICRUYNSICAU-GFCCVEGCSA-N 0 0 337.424 0.819 10 0 ECAERN Cc1nnc([C@@H]2CN(C(=O)CNC(=O)c3cccs3)CCO2)[nH]1 ZINC000173606952 437057825 /nfs/dbraw/zinc/05/78/25/437057825.db2.gz LBZMIQPDGZAANW-JTQLQIEISA-N 0 0 335.389 0.505 10 0 ECAERN CO[C@H]1C[C@@H](C(N)=O)N(CC(=O)NCc2ccc(Cl)cc2)C1 ZINC000284666873 437058431 /nfs/dbraw/zinc/05/84/31/437058431.db2.gz OGTYAPJUJPDHPR-STQMWFEESA-N 0 0 325.796 0.531 10 0 ECAERN CCn1ccnc(N2CCC[C@](O)(c3cn(C(C)C)nn3)C2)c1=O ZINC000284715938 437064920 /nfs/dbraw/zinc/06/49/20/437064920.db2.gz ZWTKWJLDXHWUQE-MRXNPFEDSA-N 0 0 332.408 0.924 10 0 ECAERN COCc1cccc(S(=O)(=O)N2CC[C@H](N3CCOCC3)C2)c1 ZINC000174001479 437073501 /nfs/dbraw/zinc/07/35/01/437073501.db2.gz CCKGYCHNHPZUPZ-HNNXBMFYSA-N 0 0 340.445 0.928 10 0 ECAERN Cc1cc(N2CCC[C@@H](NC(=O)NCc3cc[nH]n3)C2=O)n(C)n1 ZINC000174055291 437073526 /nfs/dbraw/zinc/07/35/26/437073526.db2.gz XVPODQGCQBDBGP-GFCCVEGCSA-N 0 0 331.380 0.446 10 0 ECAERN CCNC(=O)NC1(C(=O)N2CCN(C[C@@H](C)O)[C@H](C)C2)CCCC1 ZINC000174316485 437078425 /nfs/dbraw/zinc/07/84/25/437078425.db2.gz IFIGSGBYXWDSRV-ZIAGYGMSSA-N 0 0 340.468 0.532 10 0 ECAERN CNc1cc(N2CCC[C@@H]2CNC(=O)NCc2cnn(C)c2)ncn1 ZINC000174273236 437077044 /nfs/dbraw/zinc/07/70/44/437077044.db2.gz OWVZUQPSULDXOG-CYBMUJFWSA-N 0 0 344.423 0.720 10 0 ECAERN CCN1CCO[C@H](C(=O)N2CCN(Cc3c(C)nn(C)c3C)CC2)C1 ZINC000174875781 437088606 /nfs/dbraw/zinc/08/86/06/437088606.db2.gz KFQNWSDTYAJLCN-KRWDZBQOSA-N 0 0 349.479 0.402 10 0 ECAERN CNC(=O)Cn1ccc2ccc(NC(=O)C(=O)N[C@H]3C[C@H]3C)cc21 ZINC000174830855 437087528 /nfs/dbraw/zinc/08/75/28/437087528.db2.gz GQABYCKGZZKUEO-MFKMUULPSA-N 0 0 328.372 0.850 10 0 ECAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)[C@@H](C)CS(C)(=O)=O)CC2 ZINC000174996286 437092914 /nfs/dbraw/zinc/09/29/14/437092914.db2.gz GLLGKHKXKUTUCN-WDEREUQCSA-N 0 0 328.438 0.513 10 0 ECAERN Cc1nnc([C@@H]2CN(C(=O)NCc3cccc(CO)c3)CCO2)[nH]1 ZINC000175507380 437106172 /nfs/dbraw/zinc/10/61/72/437106172.db2.gz SBEYMHFKMXRWLU-AWEZNQCLSA-N 0 0 331.376 0.889 10 0 ECAERN CCOc1ccnc(N2CCN(c3ccncc3C(N)=O)CC2)n1 ZINC000302208570 437142188 /nfs/dbraw/zinc/14/21/88/437142188.db2.gz FPJCRYRYMSEUJA-UHFFFAOYSA-N 0 0 328.376 0.696 10 0 ECAERN Cc1oc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1S(=O)(=O)N(C)C ZINC000176622248 437149930 /nfs/dbraw/zinc/14/99/30/437149930.db2.gz CKTWRVAFXODQOQ-LBPRGKRZSA-N 0 0 341.433 0.759 10 0 ECAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)[C@@H](C)CS(C)(=O)=O)C2)n1 ZINC000176853509 437159806 /nfs/dbraw/zinc/15/98/06/437159806.db2.gz PLBGSPQWCYFUHI-FZMZJTMJSA-N 0 0 342.465 0.814 10 0 ECAERN NS(=O)(=O)[C@H]1C=CN=C(I)[C@@H]1OC1CC1 ZINC000095734553 303442022 /nfs/dbraw/zinc/44/20/22/303442022.db2.gz YCIXVNSYRXMVGG-NKWVEPMBSA-N 0 0 342.158 0.552 10 0 ECAERN CC(C)c1nc(C2(NC(=O)c3cn(CC(N)=O)nn3)CCCC2)no1 ZINC000175802899 437118027 /nfs/dbraw/zinc/11/80/27/437118027.db2.gz DRYUMXBWCYITFK-UHFFFAOYSA-N 0 0 347.379 0.469 10 0 ECAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)CNC(=O)COc1ccccc1 ZINC000176281061 437139447 /nfs/dbraw/zinc/13/94/47/437139447.db2.gz SOVALEFDXFGIHR-CQSZACIVSA-N 0 0 343.387 0.733 10 0 ECAERN C[C@H]1CN(CC(=O)Nc2ccccc2C(N)=O)C[C@@H]1N1CCOCC1 ZINC000177261885 437176610 /nfs/dbraw/zinc/17/66/10/437176610.db2.gz UJHHLJBCIMYJJP-BBRMVZONSA-N 0 0 346.431 0.377 10 0 ECAERN C[C@@H](SC[C@H](O)CO)C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000177419654 437184226 /nfs/dbraw/zinc/18/42/26/437184226.db2.gz FFVDPFUJTFKTCR-IUODEOHRSA-N 0 0 342.436 0.949 10 0 ECAERN C[C@H](C(=O)N[C@@H]1CCCn2ncnc21)N1C(=O)c2ccccc2C1=O ZINC000177572468 437190762 /nfs/dbraw/zinc/19/07/62/437190762.db2.gz VIYRQJWRFBCLBJ-ZWNOBZJWSA-N 0 0 339.355 0.914 10 0 ECAERN COc1ccc(C)cc1NC(=O)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000177629208 437192222 /nfs/dbraw/zinc/19/22/22/437192222.db2.gz BVXURKSCPGNFHJ-LLVKDONJSA-N 0 0 329.360 0.665 10 0 ECAERN O=C([C@@H]1CC(=O)N(c2cn[nH]c2)C1)N1CCO[C@@H](c2nccs2)C1 ZINC000178223707 437209121 /nfs/dbraw/zinc/20/91/21/437209121.db2.gz JWCLFVRDTOEDOD-ZYHUDNBSSA-N 0 0 347.400 0.819 10 0 ECAERN CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1 ZINC000177015184 437165415 /nfs/dbraw/zinc/16/54/15/437165415.db2.gz BQVQFXLAZHPIJF-NSHDSACASA-N 0 0 345.403 0.888 10 0 ECAERN CCn1cc([C@@H]2CS(=O)(=O)CCN2C(=O)[C@@H]2CC[C@@H](C)O2)cn1 ZINC000328638470 437244416 /nfs/dbraw/zinc/24/44/16/437244416.db2.gz WLCIRXKBZCIGRE-XBFCOCLRSA-N 0 0 341.433 0.769 10 0 ECAERN CN(Cc1ccc(OC(F)F)cc1)C(=O)CN1C[C@@H](O)C[C@@H]1CO ZINC000179183382 437255621 /nfs/dbraw/zinc/25/56/21/437255621.db2.gz CCIGONIRQRMJRQ-OLZOCXBDSA-N 0 0 344.358 0.674 10 0 ECAERN CNC(=O)c1ccc(N2CCC[C@@H](Cn3nc(C)nc3C)C2)nn1 ZINC000266863794 437256164 /nfs/dbraw/zinc/25/61/64/437256164.db2.gz XTIQPKQMPUKWOD-CYBMUJFWSA-N 0 0 329.408 0.961 10 0 ECAERN Cc1c(C(=O)N2CCOC[C@H]2C(N)=O)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000180273495 437284532 /nfs/dbraw/zinc/28/45/32/437284532.db2.gz XFRFVILODUMXSZ-NSHDSACASA-N 0 0 333.388 0.805 10 0 ECAERN Cc1c(C(=O)N2CCOC[C@@H]2C(N)=O)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000180273481 437285466 /nfs/dbraw/zinc/28/54/66/437285466.db2.gz XFRFVILODUMXSZ-LLVKDONJSA-N 0 0 333.388 0.805 10 0 ECAERN CCc1nn(C)c(OC)c1CNC(=O)NC[C@@H]1CN(C)CCO1 ZINC000180332053 437287671 /nfs/dbraw/zinc/28/76/71/437287671.db2.gz GIOYMKJEZOLCDY-LLVKDONJSA-N 0 0 325.413 0.121 10 0 ECAERN O=C(Nc1c[nH]nc1-c1ccccn1)C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000180597469 437296905 /nfs/dbraw/zinc/29/69/05/437296905.db2.gz CYPXDGQPXDFIRV-MFKMUULPSA-N 0 0 329.360 0.830 10 0 ECAERN O=C(CCNC(=O)N1CCCC[C@H]1c1cn[nH]c1)N1CCOCC1 ZINC000182281246 437344973 /nfs/dbraw/zinc/34/49/73/437344973.db2.gz OXMIIZOQJDOAIN-AWEZNQCLSA-N 0 0 335.408 0.895 10 0 ECAERN CC[C@H](O)CN1CCN(S(=O)(=O)c2ccc(Cl)nc2)CC1 ZINC000182407381 437348201 /nfs/dbraw/zinc/34/82/01/437348201.db2.gz UABLIYZQHOYYGV-NSHDSACASA-N 0 0 333.841 0.812 10 0 ECAERN Cc1cc(C)n(C[C@H]2CN(C(=O)NCCCn3ccnn3)CCO2)n1 ZINC000182482244 437350609 /nfs/dbraw/zinc/35/06/09/437350609.db2.gz LNZSXPZWCCGILN-OAHLLOKOSA-N 0 0 347.423 0.592 10 0 ECAERN COCCN(C)S(=O)(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000181733354 437327702 /nfs/dbraw/zinc/32/77/02/437327702.db2.gz LVUFJMZGYBWSEY-LLVKDONJSA-N 0 0 331.442 0.129 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)N[C@@H]2CCN(C(C)C)C2=O)CC1 ZINC000181768264 437329800 /nfs/dbraw/zinc/32/98/00/437329800.db2.gz DWBWRUWOIQNCTA-UONOGXRCSA-N 0 0 326.441 0.094 10 0 ECAERN Cc1noc([C@H]2COCCN2S(=O)(=O)N2CCCCCC2)n1 ZINC000183744964 437391609 /nfs/dbraw/zinc/39/16/09/437391609.db2.gz NEKGUZDEGMWXKR-GFCCVEGCSA-N 0 0 330.410 0.872 10 0 ECAERN CCc1nnc([C@@H]2CN(S(=O)(=O)N(CC)CC3CC3)CCO2)[nH]1 ZINC000183941423 437394431 /nfs/dbraw/zinc/39/44/31/437394431.db2.gz RJPHEHKYTMQYIG-LBPRGKRZSA-N 0 0 343.453 0.717 10 0 ECAERN CN(C)c1ncncc1NC(=O)C(=O)N1CCC[C@H]1c1cnn(C)c1 ZINC000184456782 437401324 /nfs/dbraw/zinc/40/13/24/437401324.db2.gz VEWZHYYMKNMHDV-ZDUSSCGKSA-N 0 0 343.391 0.578 10 0 ECAERN COCC(=O)NC1CN(C(=O)c2cnn(-c3ccccc3C)c2)C1 ZINC000185234330 437433382 /nfs/dbraw/zinc/43/33/82/437433382.db2.gz NAMNFIKTKGQNRX-UHFFFAOYSA-N 0 0 328.372 0.768 10 0 ECAERN CNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2c2cnn(C)c2)cn1 ZINC000185358299 437437227 /nfs/dbraw/zinc/43/72/27/437437227.db2.gz OEYSGMPPCSGNLB-ZDUSSCGKSA-N 0 0 349.416 0.701 10 0 ECAERN COC(=O)[C@H](NC[C@H](O)CN1CCCC1=O)c1ccc(F)c(C)c1 ZINC000185780811 437451811 /nfs/dbraw/zinc/45/18/11/437451811.db2.gz GQNRTAWIRNUSTI-XJKSGUPXSA-N 0 0 338.379 0.921 10 0 ECAERN CCN(C)C(=O)CNS(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C ZINC000185988320 437456886 /nfs/dbraw/zinc/45/68/86/437456886.db2.gz LCOOOTDLQYWTCU-NHYWBVRUSA-N 0 0 330.450 0.780 10 0 ECAERN CNc1cc(N2CCC[C@@H]2CNC(=O)NC2(CO)CCC2)ncn1 ZINC000186331319 437469200 /nfs/dbraw/zinc/46/92/00/437469200.db2.gz PCWTXXKEVLZRCH-GFCCVEGCSA-N 0 0 334.424 0.701 10 0 ECAERN CCc1nccn1[C@@H]1CCCN(C(=O)NCCS(=O)(=O)NC)C1 ZINC000188092826 437526106 /nfs/dbraw/zinc/52/61/06/437526106.db2.gz BTMZNEDMYSHDEN-GFCCVEGCSA-N 0 0 343.453 0.341 10 0 ECAERN COCC(=O)NC1CN(C(=O)NCCc2c(F)cccc2F)C1 ZINC000188450799 437549833 /nfs/dbraw/zinc/54/98/33/437549833.db2.gz FMGYTOIPPNKZAV-UHFFFAOYSA-N 0 0 327.331 0.664 10 0 ECAERN O=C(NC1CN(C(=O)N[C@H]2CCN(c3ccccn3)C2)C1)C1CCC1 ZINC000188907527 437574331 /nfs/dbraw/zinc/57/43/31/437574331.db2.gz PIOWFMGHNGSEEG-AWEZNQCLSA-N 0 0 343.431 0.970 10 0 ECAERN COCC(=O)NC1CN(C(=O)/C=C/c2cnc3ccccc3n2)C1 ZINC000189180044 437584205 /nfs/dbraw/zinc/58/42/05/437584205.db2.gz NUMUNCUQWBHOPV-VOTSOKGWSA-N 0 0 326.356 0.616 10 0 ECAERN CC(=O)NC1CN(C(=O)c2cccc(OCc3noc(C)n3)c2)C1 ZINC000190445898 437626864 /nfs/dbraw/zinc/62/68/64/437626864.db2.gz ZCPIOLWTTWKIPF-UHFFFAOYSA-N 0 0 330.344 0.918 10 0 ECAERN CC(C)c1cnc(NC(=O)C(=O)NC[C@H]2CN(C)CCO2)s1 ZINC000190494710 437627722 /nfs/dbraw/zinc/62/77/22/437627722.db2.gz MCVYAPYTTAWOMP-JTQLQIEISA-N 0 0 326.422 0.652 10 0 ECAERN CCn1cc(NC(=O)C(=O)N2CCO[C@H](c3cnn(CC)c3)C2)cn1 ZINC000190524869 437628150 /nfs/dbraw/zinc/62/81/50/437628150.db2.gz JZURUTBZQNKGEW-AWEZNQCLSA-N 0 0 346.391 0.658 10 0 ECAERN COc1ccc(NC(=O)C(=O)N2CCC[C@@H]2Cn2ccnc2)cn1 ZINC000190743945 437635046 /nfs/dbraw/zinc/63/50/46/437635046.db2.gz VBIRHIMWEGGBQZ-CYBMUJFWSA-N 0 0 329.360 0.916 10 0 ECAERN CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)N2CCC[C@@](O)(C(N)=O)C2)C1 ZINC000367574791 438225824 /nfs/dbraw/zinc/22/58/24/438225824.db2.gz XFSOOBRYTBMQKU-AHIWAGSCSA-N 0 0 339.436 0.110 10 0 ECAERN NC(=O)[C@@]1(O)CCCN(C(=O)/C=C/c2ccc(Br)o2)C1 ZINC000380564963 438413835 /nfs/dbraw/zinc/41/38/35/438413835.db2.gz GXLIPWCWNHPGHV-MASHWEEQSA-N 0 0 343.177 0.894 10 0 ECAERN C[C@H]1CCCN(C(=O)C(=O)N2CCN(C)[C@H](c3nccn3C)C2)C1 ZINC000369352935 438457891 /nfs/dbraw/zinc/45/78/91/438457891.db2.gz LVJBZESGUCINNU-KBPBESRZSA-N 0 0 333.436 0.494 10 0 ECAERN C[C@@H](C(=O)NCc1cccs1)N1CCO[C@H](c2nncn2C)C1 ZINC000583615001 439487477 /nfs/dbraw/zinc/48/74/77/439487477.db2.gz SULQMXLTIVIGQQ-AAEUAGOBSA-N 0 0 335.433 0.955 10 0 ECAERN CCOC(=O)c1ccccc1[C@@H]1CN(S(N)(=O)=O)CCCO1 ZINC000616650883 439820613 /nfs/dbraw/zinc/82/06/13/439820613.db2.gz LMLCPDZCRFRVIW-ZDUSSCGKSA-N 0 0 328.390 0.830 10 0 ECAERN O=C(Cn1cc(Br)cn1)N[C@H]1C[C@@H](O)[C@@H]1n1cccn1 ZINC000616769574 439822003 /nfs/dbraw/zinc/82/20/03/439822003.db2.gz GCXHYNHSWFLFOI-HOSYDEDBSA-N 0 0 340.181 0.333 10 0 ECAERN CNC(=O)[C@]1(COC)CCCN1C(=O)c1ccc(N2CCCC2)nn1 ZINC000643950965 440389841 /nfs/dbraw/zinc/38/98/41/440389841.db2.gz UQHUXJAUPZCBPB-QGZVFWFLSA-N 0 0 347.419 0.444 10 0 ECAERN CNC(=O)[C@@]1(COC)CCCN1C(=O)Cc1[nH]nc2ccccc21 ZINC000644060137 440433208 /nfs/dbraw/zinc/43/32/08/440433208.db2.gz MICFNDZFXKELRL-KRWDZBQOSA-N 0 0 330.388 0.859 10 0 ECAERN O=C(CN1CCCC[C@@H](O)C1=O)Nc1ccn(CC(F)(F)F)n1 ZINC000644402559 440571049 /nfs/dbraw/zinc/57/10/49/440571049.db2.gz MMPHJRYRGDHZHG-SECBINFHSA-N 0 0 334.298 0.757 10 0 ECAERN CN1CCS(=O)(=O)C[C@@H]1CC(=O)NCc1cc(F)ccc1F ZINC000644338161 440534967 /nfs/dbraw/zinc/53/49/67/440534967.db2.gz DTAKMMDYTNOENH-LBPRGKRZSA-N 0 0 332.372 0.700 10 0 ECAERN Cn1cc(O[C@@H]2CN(C(=O)c3ncc4n3CCCC4)C[C@H]2O)cn1 ZINC000633666902 440538715 /nfs/dbraw/zinc/53/87/15/440538715.db2.gz AIEDLBISEVXHDI-ZIAGYGMSSA-N 0 0 331.376 0.217 10 0 ECAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)NCCCC(=O)N(C)C)CC2 ZINC000172565518 320517089 /nfs/dbraw/zinc/51/70/89/320517089.db2.gz HMTMAQJNWJLXFL-GFCCVEGCSA-N 0 0 336.440 0.884 10 0 ECAERN Cc1nc2c(nccc2C(=O)N2CCC[C@@](O)(Cn3ccnn3)C2)[nH]1 ZINC000328950578 320744161 /nfs/dbraw/zinc/74/41/61/320744161.db2.gz NKPFNPNDQSHZIP-INIZCTEOSA-N 0 0 341.375 0.525 10 0 ECAERN COc1cccc(CC(=O)N2CCC[C@@](O)(Cn3ccnn3)C2)n1 ZINC000328975063 320745847 /nfs/dbraw/zinc/74/58/47/320745847.db2.gz WANTXRVJUVFYRA-INIZCTEOSA-N 0 0 331.376 0.278 10 0 ECAERN CN1C(=O)N[C@@H]2CN(C(=O)Cn3ncc(=O)c4ccccc43)CC[C@@H]21 ZINC000329118969 320754552 /nfs/dbraw/zinc/75/45/52/320754552.db2.gz JPZQVRJCJPQNJI-OCCSQVGLSA-N 0 0 341.371 0.225 10 0 ECAERN O=C(C1CCCC1)N1CCC[C@H]1C(=O)N1CCCS(=O)(=O)CC1 ZINC000329377228 320768932 /nfs/dbraw/zinc/76/89/32/320768932.db2.gz OLVOMIULZOZUIE-AWEZNQCLSA-N 0 0 342.461 0.815 10 0 ECAERN Cc1nc(-c2cccc(C(=O)N3CCN4CCOC[C@H]4C3)c2)n[nH]1 ZINC000329400806 320769891 /nfs/dbraw/zinc/76/98/91/320769891.db2.gz BGFMSTPDUISFAU-OAHLLOKOSA-N 0 0 327.388 0.937 10 0 ECAERN C[C@@H]1[C@H](N2CCOCC2)CCN1C(=O)[C@@H]1CCCCS1(=O)=O ZINC000329584298 320779929 /nfs/dbraw/zinc/77/99/29/320779929.db2.gz QUILOUICZUOVLC-MCIONIFRSA-N 0 0 330.450 0.275 10 0 ECAERN CO[C@H]1C[C@H](C(=O)N(C)Cc2csc(C)n2)N(S(C)(=O)=O)C1 ZINC000329828211 320790618 /nfs/dbraw/zinc/79/06/18/320790618.db2.gz DCRRMALUTKJUJQ-NWDGAFQWSA-N 0 0 347.462 0.459 10 0 ECAERN Cc1nnc(CN(C)CC(=O)N2CCC[C@H](n3cccn3)C2)n1C ZINC000329892288 320794108 /nfs/dbraw/zinc/79/41/08/320794108.db2.gz IXIXTTHFWFNIJF-AWEZNQCLSA-N 0 0 331.424 0.616 10 0 ECAERN C[C@H](CC(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1)N1CCCCC1=O ZINC000329948829 320797122 /nfs/dbraw/zinc/79/71/22/320797122.db2.gz ZKIZEQYCXRXPLG-BZUAXINKSA-N 0 0 337.464 0.957 10 0 ECAERN Cc1csc(NC2CCN(S(=O)(=O)c3cnnn3C)CC2)n1 ZINC000330037952 320801468 /nfs/dbraw/zinc/80/14/68/320801468.db2.gz DQXQLAZHPLIXDZ-UHFFFAOYSA-N 0 0 342.450 0.845 10 0 ECAERN C[C@H](CC1CC1)NS(=O)(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000330129162 320806279 /nfs/dbraw/zinc/80/62/79/320806279.db2.gz DVAOMKXWMYHWIZ-LLVKDONJSA-N 0 0 338.495 0.766 10 0 ECAERN COCCC(=O)N1CCN(S(=O)(=O)CCC2CCOCC2)CC1 ZINC000330304390 320815932 /nfs/dbraw/zinc/81/59/32/320815932.db2.gz PYKAXAPXNGKIEY-UHFFFAOYSA-N 0 0 348.465 0.314 10 0 ECAERN Cc1c([C@@H]2[C@H](C(=O)N3CC[C@H](C)[C@H](O)C3)CC(=O)N2C)cnn1C ZINC000330357513 320819056 /nfs/dbraw/zinc/81/90/56/320819056.db2.gz SWQIXYYYQQAOCT-SFXCNKRSSA-N 0 0 334.420 0.477 10 0 ECAERN Cc1c([C@@H]2[C@H](C(=O)N3CC[C@@H](C)[C@H](O)C3)CC(=O)N2C)cnn1C ZINC000330357510 320819190 /nfs/dbraw/zinc/81/91/90/320819190.db2.gz SWQIXYYYQQAOCT-AEKOTVAKSA-N 0 0 334.420 0.477 10 0 ECAERN C[C@@H]1[C@H](N2CCOCC2)CCN1S(=O)(=O)c1ccc(O)cc1 ZINC000333476582 320918422 /nfs/dbraw/zinc/91/84/22/320918422.db2.gz OPMLRLRBFIHZNO-IUODEOHRSA-N 0 0 326.418 0.876 10 0 ECAERN CCOC1CC(C(=O)N2C[C@H](C(N)=O)[C@@H](c3cnn(C)c3C)C2)C1 ZINC000527581396 322012857 /nfs/dbraw/zinc/01/28/57/322012857.db2.gz XZQCVEPMDVQWDL-VHMBPLKRSA-N 0 0 334.420 0.571 10 0 ECAERN Cc1c(C(=O)N2CC(NC(=O)C3CC3)C2)cnn1C1CCOCC1 ZINC000189438895 533744729 /nfs/dbraw/zinc/74/47/29/533744729.db2.gz LESKQOMMKKHKSC-UHFFFAOYSA-N 0 0 332.404 0.894 10 0 ECAERN O=C(NCc1ccc(F)cc1)C(=O)N1CCC[C@@H](Cn2cncn2)C1 ZINC000173856722 534661472 /nfs/dbraw/zinc/66/14/72/534661472.db2.gz OPTZICODHKYKSA-CQSZACIVSA-N 0 0 345.378 0.972 10 0 ECAERN Cc1nc2nc(N)nn2c(C)c1CCC(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000155461180 534709031 /nfs/dbraw/zinc/70/90/31/534709031.db2.gz RXBBUHRWODDVSC-JSGCOSHPSA-N 0 0 346.435 0.923 10 0 ECAERN O=C(Cn1ncc(=O)c2ccccc21)N1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000132030949 534762258 /nfs/dbraw/zinc/76/22/58/534762258.db2.gz BJXSWUCQOSJXDY-HIFRSBDPSA-N 0 0 340.383 0.666 10 0 ECAERN CC(=O)NC1CN(C(=O)N[C@H]2CCN(c3ccccc3F)C2=O)C1 ZINC000190088289 526711660 /nfs/dbraw/zinc/71/16/60/526711660.db2.gz SPRJKGLLXVSMQK-ZDUSSCGKSA-N 0 0 334.351 0.461 10 0 ECAERN CCN(C)C(=O)[C@H](C)NC(=O)N[C@H]1CCc2nnc(C(C)C)n2C1 ZINC000191404028 527777433 /nfs/dbraw/zinc/77/74/33/527777433.db2.gz DZALWYBOKXZCOH-RYUDHWBXSA-N 0 0 336.440 0.882 10 0 ECAERN CCC(=O)N1CC[C@H](NC(=O)N2CCO[C@@H](c3cnn(CC)c3)C2)C1 ZINC000189591924 528371763 /nfs/dbraw/zinc/37/17/63/528371763.db2.gz DDQAGURYJGOHLC-LSDHHAIUSA-N 0 0 349.435 0.997 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)CCCNC(=O)c2cccnc2)CC1 ZINC000153532369 529226621 /nfs/dbraw/zinc/22/66/21/529226621.db2.gz VPAZQKVYGQBSSJ-MRXNPFEDSA-N 0 0 348.447 0.507 10 0 ECAERN CN[C@H](C(=O)N[C@@H]1CCN(c2ccc(C)cc2)C1=O)c1cnn(C)c1 ZINC000262534168 536386410 /nfs/dbraw/zinc/38/64/10/536386410.db2.gz MKYZABSHCKCNLC-CVEARBPZSA-N 0 0 341.415 0.911 10 0 ECAERN COc1ccc(S(=O)(=O)N(C)C[C@@H]2CN(C)CCO2)cc1C ZINC000074774961 545685292 /nfs/dbraw/zinc/68/52/92/545685292.db2.gz RGKVXUKEZYGIQH-ZDUSSCGKSA-N 0 0 328.434 0.955 10 0 ECAERN COCCN1CCN(CC(=O)NC(=O)NCc2ccccc2)C[C@@H]1C ZINC000105831776 545738967 /nfs/dbraw/zinc/73/89/67/545738967.db2.gz QXOFSEVMQURBOX-HNNXBMFYSA-N 0 0 348.447 0.665 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)N1CCO[C@H]([C@@H]3CCCO3)C1)CC2 ZINC000121519093 545754713 /nfs/dbraw/zinc/75/47/13/545754713.db2.gz RJIKMTPJYAJKJJ-RDBSUJKOSA-N 0 0 349.435 0.745 10 0 ECAERN Cc1ccc(S(N)(=O)=O)cc1C(=O)N[C@@H]1CCCC[C@@H]1CO ZINC000179252109 545881964 /nfs/dbraw/zinc/88/19/64/545881964.db2.gz ZOFLLPOQGBCQIY-BXUZGUMPSA-N 0 0 326.418 0.923 10 0 ECAERN C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)CCNS(C)(=O)=O ZINC000182549989 545889202 /nfs/dbraw/zinc/88/92/02/545889202.db2.gz ZWQKWWKUROVCPY-ZDUSSCGKSA-N 0 0 327.450 0.562 10 0 ECAERN Cc1cnn(-c2ccc(C(N)=O)cc2NC(=O)C(=O)N[C@@H]2C[C@@H]2C)c1 ZINC000185773070 545895009 /nfs/dbraw/zinc/89/50/09/545895009.db2.gz VUXPASYZHYYHEV-CMPLNLGQSA-N 0 0 341.371 0.743 10 0 ECAERN Cn1cc(O[C@@H]2CN(CC(=O)NCc3ccc(F)cc3)C[C@H]2O)cn1 ZINC000625624767 547179556 /nfs/dbraw/zinc/17/95/56/547179556.db2.gz OFUUUZMARFOZLS-HZPDHXFCSA-N 0 0 348.378 0.300 10 0 ECAERN [NH3+][C@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000014945922 571728487 /nfs/dbraw/zinc/72/84/87/571728487.db2.gz FBTYOQIYBULKEH-UKRRQHHQSA-N 0 0 341.371 0.573 10 0 endogenous,in-man ECAERN CCOC(=O)c1ncc(Br)c(N2CCOC[C@H]2CO)n1 ZINC000895933671 586214264 /nfs/dbraw/zinc/21/42/64/586214264.db2.gz MFSXVPZPOWUHBG-MRVPVSSYSA-N 0 0 346.181 0.613 10 0 ECAERN COCCN(C)C(=O)[C@H]1CCC(=O)N(C2CC2)[C@@H]1c1nccn1C ZINC000888076024 586245517 /nfs/dbraw/zinc/24/55/17/586245517.db2.gz PJLIXHRRZIUZHU-ZFWWWQNUSA-N 0 0 334.420 0.967 10 0 ECAERN COc1ccnc(CN2CCC[C@@](O)(Cc3nncn3C)C2)c1OC ZINC000888077658 586245849 /nfs/dbraw/zinc/24/58/49/586245849.db2.gz NWLQZCWZRIPBOA-QGZVFWFLSA-N 0 0 347.419 0.797 10 0 ECAERN COc1ccc(C(=O)N[C@@H]2CCC(=O)N[C@H]2c2nccn2C)cn1 ZINC000888076809 586246113 /nfs/dbraw/zinc/24/61/13/586246113.db2.gz HCOQGKNBEVWRMF-BXUZGUMPSA-N 0 0 329.360 0.573 10 0 ECAERN Cn1nc(C[C@H]2CCCC[C@H]2NC(=O)CC2(O)CCC2)n(C)c1=O ZINC000888094615 586348785 /nfs/dbraw/zinc/34/87/85/586348785.db2.gz FPHJYSKUSQAQFS-CHWSQXEVSA-N 0 0 336.436 0.641 10 0 ECAERN Cc1[nH]nc(C(=O)N[C@@H]2CCCC[C@@H]2Cc2nn(C)c(=O)n2C)c1C ZINC000888094954 586349034 /nfs/dbraw/zinc/34/90/34/586349034.db2.gz NLYOAFPFNAPSJK-CHWSQXEVSA-N 0 0 346.435 0.990 10 0 ECAERN O=C(N[C@@H]1C[C@@H](O)C12CCOCC2)c1cccc(-n2ccnc2)n1 ZINC000888095387 586349465 /nfs/dbraw/zinc/34/94/65/586349465.db2.gz XZWDABQEDDEOGG-ZIAGYGMSSA-N 0 0 328.372 0.927 10 0 ECAERN O=C(CN1CCNC(=O)C1)N1C[C@@H](O)C[C@H]1c1ccc(F)c(F)c1 ZINC000901247712 586703426 /nfs/dbraw/zinc/70/34/26/586703426.db2.gz WIECLYGYVOINRX-FZMZJTMJSA-N 0 0 339.342 0.031 10 0 ECAERN O=C(CN1CCNC(=O)C1)N1C[C@H](O)C[C@@H]1c1ccc(F)c(F)c1 ZINC000901247711 586703569 /nfs/dbraw/zinc/70/35/69/586703569.db2.gz WIECLYGYVOINRX-BXUZGUMPSA-N 0 0 339.342 0.031 10 0 ECAERN COc1cc(CCNC(=O)[C@@H]2Cn3c(C)nnc3CN2)ccc1C ZINC000818121908 587404721 /nfs/dbraw/zinc/40/47/21/587404721.db2.gz KOVMOKJOOVPRDQ-AWEZNQCLSA-N 0 0 329.404 0.734 10 0 ECAERN Cc1cnn(C[C@H]2CN(CN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)CCO2)c1 ZINC000112072011 589576864 /nfs/dbraw/zinc/57/68/64/589576864.db2.gz CVRJQQBGUMWXCD-OAGGEKHMSA-N 0 0 344.415 0.801 10 0 ECAERN C[C@@H]1COC[C@H](C)N1CCS(=O)(=O)CCN1[C@@H](C)COC[C@@H]1C ZINC000120934665 589726519 /nfs/dbraw/zinc/72/65/19/589726519.db2.gz KJZLNPLPAOQZAY-YHUYYLMFSA-N 0 0 348.509 0.620 10 0 ECAERN Cn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2ccnc(C3CC3)n2)cn1 ZINC000862924418 589974519 /nfs/dbraw/zinc/97/45/19/589974519.db2.gz KWECPJGHJSNVNL-UONOGXRCSA-N 0 0 329.360 0.664 10 0 ECAERN C[C@@H]1CN(Cn2c(-c3ccccn3)csc2=O)C[C@H](C(N)=O)O1 ZINC000120213908 590101022 /nfs/dbraw/zinc/10/10/22/590101022.db2.gz ODABGMDFKABYIY-ZWNOBZJWSA-N 0 0 334.401 0.504 10 0 ECAERN Cc1ccn(CC(=O)N2CC[C@H](c3cc(=O)[nH]c(N(C)C)n3)C2)n1 ZINC000864835051 590109165 /nfs/dbraw/zinc/10/91/65/590109165.db2.gz GCMAMKMAIAZPJI-LBPRGKRZSA-N 0 0 330.392 0.769 10 0 ECAERN Cc1ccc2c(CC(=O)NC[C@H](O)CN3CCOCC3)c[nH]c2c1 ZINC000128062996 590347278 /nfs/dbraw/zinc/34/72/78/590347278.db2.gz CARKCHBFPMZURR-HNNXBMFYSA-N 0 0 331.416 0.828 10 0 ECAERN O=C(C[C@@H]1CS(=O)(=O)CCN1)Nc1nc2c(s1)CCCC2 ZINC000126696851 590480816 /nfs/dbraw/zinc/48/08/16/590480816.db2.gz QXJJWMDFLBLQOD-SECBINFHSA-N 0 0 329.447 0.737 10 0 ECAERN Cc1cc(C)n(C[C@H]2CN(Cn3nc4cnccn4c3=O)CCO2)n1 ZINC000133050719 590676547 /nfs/dbraw/zinc/67/65/47/590676547.db2.gz BRTFKGYIVDGJET-CQSZACIVSA-N 0 0 343.391 0.063 10 0 ECAERN CCN1CCO[C@@H](CNC(=O)Cc2cnn(C)c2)[C@@H]1c1nccn1C ZINC000886027179 590786918 /nfs/dbraw/zinc/78/69/18/590786918.db2.gz MUPQMECCRVUXKR-GOEBONIOSA-N 0 0 346.435 0.274 10 0 ECAERN COc1ccc(F)c(CN2CCN([C@@]3(C(N)=O)CCOC3)CC2)c1 ZINC000886026716 590787039 /nfs/dbraw/zinc/78/70/39/590787039.db2.gz PWMDBZGSLMFYOA-KRWDZBQOSA-N 0 0 337.395 0.596 10 0 ECAERN Cc1noc([C@@H]2[C@@H](C)OCCN2C(=O)Cn2cccc(C)c2=O)n1 ZINC000886031224 590787834 /nfs/dbraw/zinc/78/78/34/590787834.db2.gz NADXWGVZPYDJHN-RISCZKNCSA-N 0 0 332.360 0.837 10 0 ECAERN CC(C)n1cccc1C(=O)N1CCN([C@@]2(C(N)=O)CCOC2)CC1 ZINC000886077489 590790911 /nfs/dbraw/zinc/79/09/11/590790911.db2.gz AKSMHRLDUSCSFZ-KRWDZBQOSA-N 0 0 334.420 0.471 10 0 ECAERN Cn1cnnc1C[C@@]1(O)CCCN(C(=O)COCC2CCCC2)C1 ZINC000886084654 590792674 /nfs/dbraw/zinc/79/26/74/590792674.db2.gz WAYZVZGPWYXGTC-KRWDZBQOSA-N 0 0 336.436 0.918 10 0 ECAERN O=C([C@H]1COCCN1CC1CCC1)N1CC(c2cc(CO)on2)C1 ZINC000886085985 590793234 /nfs/dbraw/zinc/79/32/34/590793234.db2.gz OYOWEHSZKBSIGM-MRXNPFEDSA-N 0 0 335.404 0.594 10 0 ECAERN CN(C)c1ncc(CN2CCC[C@](O)(Cc3nncn3C)C2)cn1 ZINC000886088640 590793465 /nfs/dbraw/zinc/79/34/65/590793465.db2.gz MCPWCOQMYHDGMN-INIZCTEOSA-N 0 0 331.424 0.241 10 0 ECAERN COCc1nc(C)cc(N2CC[NH+]([C@@]3(C(=O)[O-])CCOC3)CC2)n1 ZINC000886095347 590794445 /nfs/dbraw/zinc/79/44/45/590794445.db2.gz SUGXHBQPHZJYHH-INIZCTEOSA-N 0 0 336.392 0.297 10 0 ECAERN Cc1cnn(C[C@@H]2CN(Cn3c4cnccc4n(C)c3=O)CCO2)c1 ZINC000159372911 611456891 /nfs/dbraw/zinc/45/68/91/611456891.db2.gz ONJAZJPCNIJGDL-AWEZNQCLSA-N 0 0 342.403 0.598 10 0 ECAERN Cc1nnc([C@@H]2CN(C(=O)Cc3[nH]nc4c3CCCC4)CCO2)[nH]1 ZINC000188399975 611677754 /nfs/dbraw/zinc/67/77/54/611677754.db2.gz SGXVEOHUASUMKX-AWEZNQCLSA-N 0 0 330.392 0.858 10 0 ECAERN O=C(NCCc1nnc2ccccn21)[C@@H]1CO[C@@H]2C=CC=C[C@@H]2O1 ZINC000222422178 609072070 /nfs/dbraw/zinc/07/20/70/609072070.db2.gz DBNPQMIJPRIYLE-RDBSUJKOSA-N 0 0 326.356 0.667 10 0 ECAERN COCCn1cnc2oc(C)c(C(=O)N3CCN(C)CC3)c2c1=O ZINC000222754685 609112344 /nfs/dbraw/zinc/11/23/44/609112344.db2.gz CNCNWSWEHWGCNE-UHFFFAOYSA-N 0 0 334.376 0.332 10 0 ECAERN CC(C)c1nnc([C@@H]2CCCCN2C(=O)[C@H]2OCCN(C)C2=O)[nH]1 ZINC000908251115 609648995 /nfs/dbraw/zinc/64/89/95/609648995.db2.gz BEVPBOSECGCCLS-RYUDHWBXSA-N 0 0 335.408 0.839 10 0 ECAERN O=C(Cc1cc(F)cc2c1OCOC2)N[C@@H]1C[C@H](O)[C@H]1n1cccn1 ZINC000909158981 609679326 /nfs/dbraw/zinc/67/93/26/609679326.db2.gz AWWXIXGDITZVAX-YCPHGPKFSA-N 0 0 347.346 0.922 10 0 ECAERN O=C(N[C@@H]1C[C@H](O)[C@H]1n1cccn1)[C@H]1CCO[C@@H]1c1cccnc1 ZINC000909181105 609681135 /nfs/dbraw/zinc/68/11/35/609681135.db2.gz NBDNPQKMRDUQQY-XFIYOXNOSA-N 0 0 328.372 0.846 10 0 ECAERN O=C(N[C@@H]1C[C@H](O)[C@@H]1n1cccn1)[C@H]1CCN(CC(F)(F)F)C1 ZINC000909187349 609682079 /nfs/dbraw/zinc/68/20/79/609682079.db2.gz URHYGJILCUGFHE-WHOHXGKFSA-N 0 0 332.326 0.558 10 0 ECAERN Cc1c(C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)nn2c1OCC2 ZINC000223835818 609714761 /nfs/dbraw/zinc/71/47/61/609714761.db2.gz OPWWYKFRNYIIKW-GFCCVEGCSA-N 0 0 334.376 0.047 10 0 ECAERN Cc1nc(N[C@H]2CCS(=O)(=O)C2)c2c(n1)N[C@H](C(C)C)C(=O)N2 ZINC000224029516 609717021 /nfs/dbraw/zinc/71/70/21/609717021.db2.gz HLWBPTRZFYKVKP-VHSXEESVSA-N 0 0 339.421 0.773 10 0 ECAERN COCCN1C(=O)c2cccn2C[C@H]1CNC(=O)c1cc(C)n(C)n1 ZINC000169749394 609744893 /nfs/dbraw/zinc/74/48/93/609744893.db2.gz TUHITULXXYTIBV-CYBMUJFWSA-N 0 0 345.403 0.431 10 0 ECAERN COC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)C1 ZINC000170549629 609750510 /nfs/dbraw/zinc/75/05/10/609750510.db2.gz QGBCWPUGYVTOCF-SECBINFHSA-N 0 0 340.357 0.695 10 0 ECAERN O=C1[C@H]2CC=CC[C@@H]2C(=O)N1CN1CCN(c2cccnn2)CC1 ZINC000170638858 609751137 /nfs/dbraw/zinc/75/11/37/609751137.db2.gz XIUXFOYWCDWZTB-KBPBESRZSA-N 0 0 327.388 0.507 10 0 ECAERN CCCC(=O)N[C@H]1CCCN(C(=O)CSc2nncn2C)C1 ZINC000171039215 609756160 /nfs/dbraw/zinc/75/61/60/609756160.db2.gz YFTIDEHSGREQQN-NSHDSACASA-N 0 0 325.438 0.815 10 0 ECAERN C[C@@H]1CN(C(=O)CN2CCCN(Cc3cnn(C)c3)CC2)CCO1 ZINC000171595585 609762702 /nfs/dbraw/zinc/76/27/02/609762702.db2.gz BAKTXBBWUMTJND-OAHLLOKOSA-N 0 0 335.452 0.175 10 0 ECAERN C[C@@H](C(=O)NC[C@@H](O)CN1CCOCC1)N1CCc2ccccc21 ZINC000179478837 609786521 /nfs/dbraw/zinc/78/65/21/609786521.db2.gz VPKSFLRYUWMAAA-GOEBONIOSA-N 0 0 333.432 0.247 10 0 ECAERN CCn1cc(C2CCN(CN3C(=O)N[C@@](C)(COC)C3=O)CC2)cn1 ZINC000152167959 609837449 /nfs/dbraw/zinc/83/74/49/609837449.db2.gz PJTQUKCQXYFQCD-KRWDZBQOSA-N 0 0 349.435 0.997 10 0 ECAERN Cc1ccccc1OCC(=O)N1CCN(C(=O)c2nonc2N)CC1 ZINC000033012229 609947943 /nfs/dbraw/zinc/94/79/43/609947943.db2.gz AHNNAEAJUTWPBS-UHFFFAOYSA-N 0 0 345.359 0.324 10 0 ECAERN O=C([C@@H]1CCCn2cc(C(F)(F)F)nc21)N1CCOC[C@H]1CO ZINC000912430606 609955610 /nfs/dbraw/zinc/95/56/10/609955610.db2.gz IAAKBXHBSAPJCG-NXEZZACHSA-N 0 0 333.310 0.999 10 0 ECAERN O=C(CCC(=O)N1CCOC[C@@H]1CO)N1CCC(c2ccccc2)=N1 ZINC000912426348 609957897 /nfs/dbraw/zinc/95/78/97/609957897.db2.gz CHIMFWDOORNWLO-HNNXBMFYSA-N 0 0 345.399 0.623 10 0 ECAERN C[C@H]1CN(c2nnnn2Cc2ccccc2)C[C@@H]1N1CCOCC1 ZINC000929058302 611726963 /nfs/dbraw/zinc/72/69/63/611726963.db2.gz DGMPOVNJWCHQRF-HOCLYGCPSA-N 0 0 328.420 0.878 10 0 ECAERN CCNC(=O)N[C@@H]1CN(CC(=O)NCc2ccccc2C)C[C@@H]1OC ZINC000069902634 610213700 /nfs/dbraw/zinc/21/37/00/610213700.db2.gz TWOIWSODXCMOIC-CVEARBPZSA-N 0 0 348.447 0.630 10 0 ECAERN Cc1cc(N2CCC[C@H](N[C@H]3CCCS(=O)(=O)C3)C2=O)n(C)n1 ZINC000182341596 610292990 /nfs/dbraw/zinc/29/29/90/610292990.db2.gz UZRJYWKWOAFGLZ-STQMWFEESA-N 0 0 340.449 0.391 10 0 ECAERN Cc1cc(N2CCC[C@@H](N[C@@H]3CCCS(=O)(=O)C3)C2=O)n(C)n1 ZINC000182341576 610293018 /nfs/dbraw/zinc/29/30/18/610293018.db2.gz UZRJYWKWOAFGLZ-CHWSQXEVSA-N 0 0 340.449 0.391 10 0 ECAERN O=C(N[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cn1 ZINC000183659358 610591188 /nfs/dbraw/zinc/59/11/88/610591188.db2.gz VFHNURLVYYVBQF-KGLIPLIRSA-N 0 0 335.291 0.953 10 0 ECAERN CCn1ccnc1CN1CCN(C[C@H]2CCCS2(=O)=O)CC1 ZINC000929543055 611763377 /nfs/dbraw/zinc/76/33/77/611763377.db2.gz PVUFUDQOTKYSPM-CQSZACIVSA-N 0 0 326.466 0.598 10 0 ECAERN CC(=O)N1CSC[C@@H]1C(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000195286433 612373439 /nfs/dbraw/zinc/37/34/39/612373439.db2.gz UJOJIWZTNQYAHC-VXGBXAGGSA-N 0 0 337.449 0.754 10 0 ECAERN Cn1cc(C[C@@H]2CC(=O)N(CN3CCO[C@H]4CCCC[C@H]43)C2=O)cn1 ZINC000245435616 612585142 /nfs/dbraw/zinc/58/51/42/612585142.db2.gz QNWVMYFVXNVADJ-OAGGEKHMSA-N 0 0 346.431 0.939 10 0 ECAERN CC[C@@]1(C(C)C)NC(=O)N(CN2CCO[C@@H](Cn3cccn3)C2)C1=O ZINC000247121593 612814087 /nfs/dbraw/zinc/81/40/87/612814087.db2.gz PSPFHIPTXGQAGQ-PBHICJAKSA-N 0 0 349.435 0.898 10 0 ECAERN O=S1(=O)CCNC[C@H]1CCNc1ncncc1Br ZINC000721713406 741525350 /nfs/dbraw/zinc/52/53/50/741525350.db2.gz AHZXRTCEMAMJJH-MRVPVSSYSA-N 0 0 335.227 0.428 10 0 ECAERN Cc1n[nH]cc1CCCNC(=O)CS[C@H]1CCS(=O)(=O)C1 ZINC000050183348 214050001 /nfs/dbraw/zinc/05/00/01/214050001.db2.gz QILGOPWNJJXWFN-LBPRGKRZSA-N 0 0 331.463 0.687 10 0 ECAERN Cc1cnn(CCNC(=O)c2cc(C)c(C)c(S(N)(=O)=O)c2)c1 ZINC000174961075 231354941 /nfs/dbraw/zinc/35/49/41/231354941.db2.gz DHBITYFDWXNERG-UHFFFAOYSA-N 0 0 336.417 0.886 10 0 ECAERN Cc1cc(N2CCC[C@@H](NC(=O)CCn3cccn3)C2=O)n(C)n1 ZINC000175009350 231366073 /nfs/dbraw/zinc/36/60/73/231366073.db2.gz GLXDXAXGWFVSFP-CYBMUJFWSA-N 0 0 330.392 0.627 10 0 ECAERN C[NH+](C)[C@@H]1CCN(C(=O)Cn2c(=O)c3ccccc3[n-]c2=S)C1 ZINC000175342716 231430351 /nfs/dbraw/zinc/43/03/51/231430351.db2.gz CZXZFLXJTYFVGQ-LLVKDONJSA-N 0 0 332.429 0.848 10 0 ECAERN CC[C@H](C)NC(=O)CCNC(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000171903192 529704221 /nfs/dbraw/zinc/70/42/21/529704221.db2.gz JSOVFHLVLYVJSM-KBPBESRZSA-N 0 0 337.424 0.598 10 0 ECAERN CN1CCO[C@H](CNC(=O)C(=O)N2CCc3c2cccc3Cl)C1 ZINC000129857095 529788690 /nfs/dbraw/zinc/78/86/90/529788690.db2.gz YQGSZLCIVMJSNB-LLVKDONJSA-N 0 0 337.807 0.676 10 0 ECAERN CN1CC[C@@H](NC(=O)N2CCN(c3nc4ccccc4o3)CC2)C1=O ZINC000130064776 529795056 /nfs/dbraw/zinc/79/50/56/529795056.db2.gz MZJHUKXNZZENAZ-CYBMUJFWSA-N 0 0 343.387 0.890 10 0 ECAERN O=C(CNC(=O)c1cccnc1)N1CCC[C@H](Cn2cncn2)C1 ZINC000178407081 232157689 /nfs/dbraw/zinc/15/76/89/232157689.db2.gz NYZMAILCLFRCCR-ZDUSSCGKSA-N 0 0 328.376 0.342 10 0 ECAERN COC[C@H](C)C(=O)N1CCN(CC(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000103428704 219298295 /nfs/dbraw/zinc/29/82/95/219298295.db2.gz IGOYEUKALDSPEB-XHSDSOJGSA-N 0 0 339.480 0.918 10 0 ECAERN NC(=O)[C@@H]1COCCN1S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000179687418 233320910 /nfs/dbraw/zinc/32/09/10/233320910.db2.gz NOMZJQJQVHZHAV-JTQLQIEISA-N 0 0 339.200 0.868 10 0 ECAERN COC(=O)c1ccccc1N1C[C@H](C(=O)N2CCOCC2)CC1=O ZINC000002007472 209811350 /nfs/dbraw/zinc/81/13/50/209811350.db2.gz IUXOHNXARPHURE-GFCCVEGCSA-N 0 0 332.356 0.685 10 0 ECAERN COCC(=O)NC1CN(C(=O)Cc2csc(-c3ccccn3)n2)C1 ZINC000185274951 235631333 /nfs/dbraw/zinc/63/13/33/235631333.db2.gz WBTHXKYXVQEDIS-UHFFFAOYSA-N 0 0 346.412 0.721 10 0 ECAERN CCOCCCNC(=O)[C@H](C)N1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000105892294 219583482 /nfs/dbraw/zinc/58/34/82/219583482.db2.gz KLFWIYJOUUJRCD-HOTGVXAUSA-N 0 0 338.452 0.824 10 0 ECAERN Nc1ccc(Br)cc1S(=O)(=O)N1CCNC(=O)C1 ZINC000037928753 213173715 /nfs/dbraw/zinc/17/37/15/213173715.db2.gz IPEDXOSYPWNFMB-UHFFFAOYSA-N 0 0 334.195 0.152 10 0 ECAERN CCOC(=O)CNS(=O)(=O)c1ccc(N)cc1Br ZINC000037563427 213156769 /nfs/dbraw/zinc/15/67/69/213156769.db2.gz QXHCAMBEYDXHRQ-UHFFFAOYSA-N 0 0 337.195 0.873 10 0 ECAERN CC(C)[C@H](NC(=O)C(C)(C)C)C(=O)N1C[C@@H]2OCCN(C)[C@H]2C1 ZINC000355505105 299262350 /nfs/dbraw/zinc/26/23/50/299262350.db2.gz CPFHXYMTWXJSAU-IHRRRGAJSA-N 0 0 325.453 0.715 10 0 ECAERN C[C@H](CS(C)(=O)=O)NC(=O)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000187101287 236118113 /nfs/dbraw/zinc/11/81/13/236118113.db2.gz RCRYEGBDLXCNQH-WXHSDQCUSA-N 0 0 346.474 0.899 10 0 ECAERN O=C(Nc1ccc2scnc2c1)C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000187983671 236370242 /nfs/dbraw/zinc/37/02/42/236370242.db2.gz HCTCGURDSWVJMT-UHFFFAOYSA-N 0 0 344.396 0.972 10 0 ECAERN CN1CCN(S(=O)(=O)c2ccc(N)cc2Br)CC1 ZINC000037052895 213131641 /nfs/dbraw/zinc/13/16/41/213131641.db2.gz KWBVHSUFOLYVLN-UHFFFAOYSA-N 0 0 334.239 0.967 10 0 ECAERN Cc1nc(CCC(N)=O)cc([C@@H]2CCCCN2S(C)(=O)=O)n1 ZINC000072366382 216172261 /nfs/dbraw/zinc/17/22/61/216172261.db2.gz FQCHBXVHZNZYJG-ZDUSSCGKSA-N 0 0 326.422 0.690 10 0 ECAERN O=C(CCn1[nH]c(=O)c2ccccc2c1=O)N[C@@H]1CCCC[C@@H]1O ZINC000130721000 223171943 /nfs/dbraw/zinc/17/19/43/223171943.db2.gz WCTIXLWBYCGWSX-KGLIPLIRSA-N 0 0 331.372 0.500 10 0 ECAERN CCC[C@H]([NH3+])C(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000236836681 242376877 /nfs/dbraw/zinc/37/68/77/242376877.db2.gz HGPALVDAVNGNIR-ZDUSSCGKSA-N 0 0 349.460 0.528 10 0 ECAERN CCOC(=O)c1noc2ncn(CC(=O)N3CCCC[C@H]3C)c(=O)c12 ZINC000021094289 212206300 /nfs/dbraw/zinc/20/63/00/212206300.db2.gz MSSXXGFFDUVMEU-SNVBAGLBSA-N 0 0 348.359 0.962 10 0 ECAERN CN1C(=O)C[C@H](C(=O)NC[C@@H]2CN(C)CCO2)[C@@H]1c1ccc(F)cc1 ZINC000245607182 243133709 /nfs/dbraw/zinc/13/37/09/243133709.db2.gz ALUPSAPQTSNNTB-VYDXJSESSA-N 0 0 349.406 0.792 10 0 ECAERN CCc1csc(CNC(=O)c2ccc(N3CCNC(=O)C3)nc2)n1 ZINC000019781758 212065330 /nfs/dbraw/zinc/06/53/30/212065330.db2.gz IFTXFJZPYMQWFO-UHFFFAOYSA-N 0 0 345.428 0.967 10 0 ECAERN Cc1ccc(CC(=O)N2CCO[C@@H](C[N@@H+](C)CC(=O)[O-])C2)s1 ZINC000262922919 245253404 /nfs/dbraw/zinc/25/34/04/245253404.db2.gz LEBSVECWRFHBLF-LBPRGKRZSA-N 0 0 326.418 0.843 10 0 ECAERN C[N@@H+](CC(=O)[O-])C[C@H]1CN(C(=O)CCOc2ccccc2)CCO1 ZINC000262960223 245269512 /nfs/dbraw/zinc/26/95/12/245269512.db2.gz QASYDHDKZPSMQI-HNNXBMFYSA-N 0 0 336.388 0.699 10 0 ECAERN CCN1C[C@@H](C(=O)N2CCO[C@H](Cn3nc(C)cc3C)C2)CC1=O ZINC000110901995 220077973 /nfs/dbraw/zinc/07/79/73/220077973.db2.gz ZAASQYHPWOYJBQ-GJZGRUSLSA-N 0 0 334.420 0.596 10 0 ECAERN COC(=O)CCCc1nc(CN2CCO[C@H](Cn3cccn3)C2)no1 ZINC000111229311 220117804 /nfs/dbraw/zinc/11/78/04/220117804.db2.gz SQQBCBWZVJPEOH-ZDUSSCGKSA-N 0 0 349.391 0.663 10 0 ECAERN CCOC(=O)CN(C)C(=O)CN1CCC(c2nncn2CC)CC1 ZINC000111229635 220117842 /nfs/dbraw/zinc/11/78/42/220117842.db2.gz GQSNONBXWUBLGI-UHFFFAOYSA-N 0 0 337.424 0.499 10 0 ECAERN O=C(NCCN1CCOCC1)N1CCO[C@H](c2nccs2)C1 ZINC000111785749 220190060 /nfs/dbraw/zinc/19/00/60/220190060.db2.gz FUZILXYYFUWTMV-LBPRGKRZSA-N 0 0 326.422 0.558 10 0 ECAERN Cc1n[nH]cc1CCCNC(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111787768 220190155 /nfs/dbraw/zinc/19/01/55/220190155.db2.gz HOHXKBAXNIWHMS-OAHLLOKOSA-N 0 0 332.408 0.958 10 0 ECAERN COc1ccc(CNC(=O)N2CCO[C@H](Cn3cccn3)C2)cn1 ZINC000111809873 220194385 /nfs/dbraw/zinc/19/43/85/220194385.db2.gz YVVXKFUJEXGRRY-AWEZNQCLSA-N 0 0 331.376 0.897 10 0 ECAERN NC(=O)c1ccc(CNC(=O)N2CCO[C@@H](Cn3cccn3)C2)cc1 ZINC000111823416 220199272 /nfs/dbraw/zinc/19/92/72/220199272.db2.gz SGTNEJMHZKDTQZ-OAHLLOKOSA-N 0 0 343.387 0.593 10 0 ECAERN CCc1noc([C@@H](C)N2CCN(C(=O)CN3CCCC3=O)CC2)n1 ZINC000112034770 220231286 /nfs/dbraw/zinc/23/12/86/220231286.db2.gz MOECRTPMEAGPLH-GFCCVEGCSA-N 0 0 335.408 0.460 10 0 ECAERN CC(C)=CC(=O)N1CC[N@@H+](C)[C@]2(C1)CCC(=O)N(CC(=O)[O-])CC2 ZINC000091563264 218022630 /nfs/dbraw/zinc/02/26/30/218022630.db2.gz WPRVVFYYEABJFK-QGZVFWFLSA-N 0 0 337.420 0.563 10 0 ECAERN CC(C)[C@H](NC(=O)C1CCN(CC(N)=O)CC1)c1nc(C2CC2)no1 ZINC000091587462 218026948 /nfs/dbraw/zinc/02/69/48/218026948.db2.gz RBOULZZCWWZVIU-AWEZNQCLSA-N 0 0 349.435 0.958 10 0 ECAERN NC(=O)[C@@H]1COCCN1CC(=O)Nc1ccccc1Br ZINC000092230291 218128082 /nfs/dbraw/zinc/12/80/82/218128082.db2.gz GRROQHVPTUFSMF-NSHDSACASA-N 0 0 342.193 0.574 10 0 ECAERN CCOC(=O)C1=C(C(=O)OCC)NN(C(=O)OC)[C@H](OCC)C1 ZINC000096034448 218517573 /nfs/dbraw/zinc/51/75/73/218517573.db2.gz LCUOYGGIGVEILI-NXEZZACHSA-N 0 0 330.337 0.920 10 0 ECAERN Cc1cnc(N2C[C@@H](NC(=O)c3nccn3C)[C@H]3OCCC[C@H]32)nc1 ZINC000096088957 218584537 /nfs/dbraw/zinc/58/45/37/218584537.db2.gz PNZIRPGLDXVFDY-MGPQQGTHSA-N 0 0 342.403 0.685 10 0 ECAERN Cn1cc([C@@]2(C)CN(c3nnc(Cl)cc3C(N)=O)CCO2)cn1 ZINC000153321452 224087419 /nfs/dbraw/zinc/08/74/19/224087419.db2.gz NKNUWGQDFACJDE-CQSZACIVSA-N 0 0 336.783 0.714 10 0 ECAERN Cc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1cccc2nonc21 ZINC000268771124 252222281 /nfs/dbraw/zinc/22/22/81/252222281.db2.gz DWWRXWHSQFALEO-JTQLQIEISA-N 0 0 334.361 0.936 10 0 ECAERN COc1ccccc1[C@@H](C)CC(=O)NC[C@@H](O)CN1CCOCC1 ZINC000132961291 532962895 /nfs/dbraw/zinc/96/28/95/532962895.db2.gz FEWXWUZLWYOIPK-LSDHHAIUSA-N 0 0 336.432 0.998 10 0 ECAERN CNC(=O)[C@H](NC(=O)NCCn1c2ccccc2[nH]c1=O)C(C)C ZINC000178457760 207686744 /nfs/dbraw/zinc/68/67/44/207686744.db2.gz PROVODYDAKCDPC-CYBMUJFWSA-N 0 0 333.392 0.399 10 0 ECAERN O=C([O-])c1ccc(S(=O)(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c(F)c1 ZINC000174273673 304249659 /nfs/dbraw/zinc/24/96/59/304249659.db2.gz OOONDRBDCBFNPC-LLVKDONJSA-N 0 0 328.365 0.993 10 0 ECAERN CNc1cc(N2CCC[C@H]2CNC(=O)N(C)CC[C@H](C)O)ncn1 ZINC000153400269 533051872 /nfs/dbraw/zinc/05/18/72/533051872.db2.gz OBYHSXFCGPMCJR-STQMWFEESA-N 0 0 336.440 0.899 10 0 ECAERN CCOc1ccc(CCC(=O)NC[C@@H](O)CN2CCOCC2)cc1 ZINC000097374801 219018319 /nfs/dbraw/zinc/01/83/19/219018319.db2.gz BQCQJJYACBYGJB-MRXNPFEDSA-N 0 0 336.432 0.827 10 0 ECAERN O=C(NCCCc1ccccc1)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000112725201 220387741 /nfs/dbraw/zinc/38/77/41/220387741.db2.gz QSDJIKQTPSFJJU-CQSZACIVSA-N 0 0 327.388 0.458 10 0 ECAERN O=C(CCNC(=O)N[C@H]1CCc2ncnn2C1)NC1CCCCC1 ZINC000112745191 220395766 /nfs/dbraw/zinc/39/57/66/220395766.db2.gz DUFUGXUMSDAINR-ZDUSSCGKSA-N 0 0 334.424 0.731 10 0 ECAERN CNC(=O)c1cncc(/C=C\C(=O)N2CC(NC(=O)C3CCC3)C2)c1 ZINC000492739821 254953526 /nfs/dbraw/zinc/95/35/26/254953526.db2.gz IUOJACVIUPCWJY-WAYWQWQTSA-N 0 0 342.399 0.582 10 0 ECAERN COCCN1CCN(C(=O)NC[C@@H](C)N2CCOCC2)C[C@@H]1C ZINC000117477513 221068195 /nfs/dbraw/zinc/06/81/95/221068195.db2.gz FJVPQTMUIHEFOQ-CABCVRRESA-N 0 0 328.457 0.069 10 0 ECAERN Cc1cnn(CCNC(=O)c2ccc(CN3C(=O)CNC3=O)cc2)c1 ZINC000117812419 221091948 /nfs/dbraw/zinc/09/19/48/221091948.db2.gz HFASEBLULWIGNN-UHFFFAOYSA-N 0 0 341.371 0.673 10 0 ECAERN Cc1cnn(CCNS(=O)(=O)c2ccccc2S(C)(=O)=O)c1 ZINC000117927089 221100447 /nfs/dbraw/zinc/10/04/47/221100447.db2.gz MESOOUSKBMRMKI-UHFFFAOYSA-N 0 0 343.430 0.574 10 0 ECAERN COC[C@H](C)S(=O)(=O)N1CCN(Cc2c(C)nn(C)c2C)CC1 ZINC000117924321 221100594 /nfs/dbraw/zinc/10/05/94/221100594.db2.gz DOPLXUHKCCXGSV-LBPRGKRZSA-N 0 0 344.481 0.519 10 0 ECAERN CN1CCO[C@@H](CNC(=O)C(=O)Nc2cnc3ccccc3c2)C1 ZINC000118115167 221119447 /nfs/dbraw/zinc/11/94/47/221119447.db2.gz LFKGTYZMBSRYME-AWEZNQCLSA-N 0 0 328.372 0.620 10 0 ECAERN CN1CCO[C@@H](CNC(=O)C(=O)Nc2ccc(F)cc2Cl)C1 ZINC000118115927 221121359 /nfs/dbraw/zinc/12/13/59/221121359.db2.gz PUWBYDXAXJZJQI-JTQLQIEISA-N 0 0 329.759 0.864 10 0 ECAERN CN1CCO[C@@H](CNC(=O)C(=O)Nc2ccc(F)c(F)c2F)C1 ZINC000118115563 221121794 /nfs/dbraw/zinc/12/17/94/221121794.db2.gz MKBORUFQZKGRSJ-QMMMGPOBSA-N 0 0 331.294 0.489 10 0 ECAERN CN1CCO[C@@H](CNC(=O)C(=O)Nc2cc(Cl)ccc2F)C1 ZINC000118115890 221122045 /nfs/dbraw/zinc/12/20/45/221122045.db2.gz TURBNICMEHFBHX-JTQLQIEISA-N 0 0 329.759 0.864 10 0 ECAERN CN1CCO[C@@H](CNC(=O)C(=O)Nc2cccc(-n3ccnc3)c2)C1 ZINC000118115750 221122254 /nfs/dbraw/zinc/12/22/54/221122254.db2.gz ZBJHOVYUISNDSQ-HNNXBMFYSA-N 0 0 343.387 0.258 10 0 ECAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)CCNC(=O)CC(C)C ZINC000155013503 224342662 /nfs/dbraw/zinc/34/26/62/224342662.db2.gz AOPBNURLXNXTET-GFCCVEGCSA-N 0 0 337.424 0.928 10 0 ECAERN Cc1ccnc(OC[C@@]23COC[C@@H]2CN(S(=O)(=O)C2CC2)C3)n1 ZINC000253479951 257659375 /nfs/dbraw/zinc/65/93/75/257659375.db2.gz UBSBTQYFOQFAIP-SWLSCSKDSA-N 0 0 339.417 0.604 10 0 ECAERN COc1ccc(C(F)(F)C(=O)NC[C@@H](O)CN2CCOCC2)cc1 ZINC000132673189 533368951 /nfs/dbraw/zinc/36/89/51/533368951.db2.gz DPWBFLMJCGQRBH-CYBMUJFWSA-N 0 0 344.358 0.596 10 0 ECAERN CCO[C@@H]1C[C@@](CO)(NC(=O)N[C@@H]2CCCn3ncnc32)C1(C)C ZINC000189199966 286302928 /nfs/dbraw/zinc/30/29/28/286302928.db2.gz NPIRKRGEJINMNJ-HSMVNMDESA-N 0 0 337.424 0.978 10 0 ECAERN O=C(Cc1ccccc1)NCC(=O)N1CCC[C@H](Cn2cncn2)C1 ZINC000127353155 164675276 /nfs/dbraw/zinc/67/52/76/164675276.db2.gz IZHAXRAIVOEIGY-INIZCTEOSA-N 0 0 341.415 0.876 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)Cn1c(C)cc(O)cc1=O)CC2 ZINC000130629459 164693185 /nfs/dbraw/zinc/69/31/85/164693185.db2.gz ZTWBFQNRZCXFAR-LLVKDONJSA-N 0 0 331.376 0.147 10 0 ECAERN COCC(=O)N[C@H](C(=O)N[C@H](C)c1nnc2n1CCCC2)C(C)C ZINC000135309746 164714197 /nfs/dbraw/zinc/71/41/97/164714197.db2.gz LNBUGQHJSUCJRE-RISCZKNCSA-N 0 0 337.424 0.579 10 0 ECAERN C[C@@H](NC(N)=O)C(=O)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 ZINC000150826254 164723290 /nfs/dbraw/zinc/72/32/90/164723290.db2.gz VDXKARVTEZRNNC-SNVBAGLBSA-N 0 0 338.795 0.568 10 0 ECAERN O=C(NCc1nnc2n1CCCC2)c1cccc2c1OCC(=O)N2 ZINC000171444860 164831016 /nfs/dbraw/zinc/83/10/16/164831016.db2.gz MPVKQLXHHZKLHI-UHFFFAOYSA-N 0 0 327.344 0.875 10 0 ECAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)N[C@@H]1CCc3ncnn3C1)CC2 ZINC000172604371 164845720 /nfs/dbraw/zinc/84/57/20/164845720.db2.gz YXNXZESZVFQUBE-NEPJUHHUSA-N 0 0 344.423 0.622 10 0 ECAERN Cc1cc(S(=O)(=O)N2CCOC[C@H]2C(N)=O)c(Cl)cc1F ZINC000179687606 164933084 /nfs/dbraw/zinc/93/30/84/164933084.db2.gz NEOFSQJTQGLHKT-JTQLQIEISA-N 0 0 336.772 0.662 10 0 ECAERN CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)N2CCC(c3cc[nH]n3)CC2)O1 ZINC000181240398 164941321 /nfs/dbraw/zinc/94/13/21/164941321.db2.gz SFRFJRJRGGCTHA-ZFWWWQNUSA-N 0 0 349.435 0.935 10 0 ECAERN CC(C)CS(=O)(=O)CCC(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188519108 164999423 /nfs/dbraw/zinc/99/94/23/164999423.db2.gz BXRYSCOUKLEKFW-UHFFFAOYSA-N 0 0 330.450 0.574 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)N1CCCN(CC)C(=O)C1)CC2 ZINC000189649078 165013555 /nfs/dbraw/zinc/01/35/55/165013555.db2.gz NULMBCHAZSJSIK-GFCCVEGCSA-N 0 0 334.424 0.419 10 0 ECAERN Cc1nn(C)c(-n2cccn2)c1C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000189903020 165017123 /nfs/dbraw/zinc/01/71/23/165017123.db2.gz DRQNWYVJNUYZLC-CQSZACIVSA-N 0 0 344.419 0.461 10 0 ECAERN C[C@@H]1C(=O)NCCCN1C(=O)C(=O)Nc1ccc(F)c(F)c1F ZINC000190669129 165023633 /nfs/dbraw/zinc/02/36/33/165023633.db2.gz IMUCIOCYVAXSDW-SSDOTTSWSA-N 0 0 329.278 0.779 10 0 ECAERN CC(C)c1nnc2n1CCN(C(=O)NC[C@@H]1CN(C)CCO1)[C@@H]2C ZINC000190723740 165024492 /nfs/dbraw/zinc/02/44/92/165024492.db2.gz OTBQPHDAGZAZPB-CHWSQXEVSA-N 0 0 336.440 0.818 10 0 ECAERN C[C@H]1C(=O)NCCCN1C(=O)C(=O)Nc1cccc2ccn(C)c21 ZINC000190682645 165024722 /nfs/dbraw/zinc/02/47/22/165024722.db2.gz YJKNQLKGRYSWBQ-NSHDSACASA-N 0 0 328.372 0.854 10 0 ECAERN C[C@@H](C1CC1)n1nccc1NC(=O)C(=O)NC[C@H]1CN(C)CCO1 ZINC000192022712 165038411 /nfs/dbraw/zinc/03/84/11/165038411.db2.gz KPQHAXJDENVTDN-AAEUAGOBSA-N 0 0 335.408 0.239 10 0 ECAERN CCc1nc(NC(=O)C(=O)N2CC(NC(=O)C3CC3)C2)sc1C ZINC000193482946 165054585 /nfs/dbraw/zinc/05/45/85/165054585.db2.gz ZBHGUDAHEIVLIN-UHFFFAOYSA-N 0 0 336.417 0.689 10 0 ECAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NC[C@](C)(O)c1cccc(Cl)c1 ZINC000193826578 165060919 /nfs/dbraw/zinc/06/09/19/165060919.db2.gz YKIVGYCZCNWNMY-FMKPAKJESA-N 0 0 340.807 0.645 10 0 ECAERN Cn1cc(/C=C/C(=O)N[C@H]2COc3ccccc32)c(=O)n(C)c1=O ZINC000195012387 165075589 /nfs/dbraw/zinc/07/55/89/165075589.db2.gz LQEGPOBREDEYQC-GWJCSSMESA-N 0 0 327.340 0.347 10 0 ECAERN COCCN1CCN(C(=O)NC[C@H](C)N2CCOCC2)C[C@@H]1C ZINC000246980080 165148413 /nfs/dbraw/zinc/14/84/13/165148413.db2.gz FJVPQTMUIHEFOQ-GJZGRUSLSA-N 0 0 328.457 0.069 10 0 ECAERN O=C1C[C@@H](N2CC[C@@H](N3CCOCC3)C2)C(=O)N1c1ccccc1F ZINC000247153414 165155119 /nfs/dbraw/zinc/15/51/19/165155119.db2.gz QADDVBKXPDKLGR-CZUORRHYSA-N 0 0 347.390 0.864 10 0 ECAERN COc1ccccc1N1CC[C@@H](NC(=O)C2([NH3+])CCOCC2)C1=O ZINC000261698491 165229990 /nfs/dbraw/zinc/22/99/90/165229990.db2.gz DQRGYLDOIKBXAC-GFCCVEGCSA-N 0 0 333.388 0.425 10 0 ECAERN C[N@@H+](CC(=O)[O-])C[C@@H]1CN(c2ncc(Br)cn2)CCO1 ZINC000262078599 165285948 /nfs/dbraw/zinc/28/59/48/165285948.db2.gz DRHBOBSDPBDGPB-SNVBAGLBSA-N 0 0 345.197 0.461 10 0 ECAERN NCc1nc(CN2CCN(CC(=O)N3CCCCCC3)CC2)no1 ZINC000262224342 165311899 /nfs/dbraw/zinc/31/18/99/165311899.db2.gz NBXGVQAKYNZCFP-UHFFFAOYSA-N 0 0 336.440 0.049 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NS(=O)(=O)N2CCCC[C@H]2C)C1 ZINC000262494017 165355970 /nfs/dbraw/zinc/35/59/70/165355970.db2.gz YJFMKLGVUOECFZ-PNESKVBLSA-N 0 0 333.454 0.633 10 0 ECAERN CN1CC[C@H](C(=O)NC2CC([N@@H+](CC(=O)[O-])CC3CC3)C2)CC1=O ZINC000262721303 165377757 /nfs/dbraw/zinc/37/77/57/165377757.db2.gz PWOWYQRSSHLKEY-HSBZDZAISA-N 0 0 337.420 0.299 10 0 ECAERN CCN1CCO[C@@H](C(=O)NC2CC([N@@H+](CC(=O)[O-])CC3CC3)C2)C1 ZINC000262732958 165379375 /nfs/dbraw/zinc/37/93/75/165379375.db2.gz VAGXPVZVJSQFLS-YMAMQOFZSA-N 0 0 339.436 0.151 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)[C@@H](C)NC(=O)c2ccco2)C1 ZINC000262757058 165382125 /nfs/dbraw/zinc/38/21/25/165382125.db2.gz ZBKCWGYZXMJOBL-VOMCLLRMSA-N 0 0 337.376 0.452 10 0 ECAERN CC[C@H](C(=O)NC1CC([N@H+](CC)CC(=O)[O-])C1)N1CCCC1=O ZINC000262780470 165387272 /nfs/dbraw/zinc/38/72/72/165387272.db2.gz IZEIXAMCCDRDJW-WXRRBKDZSA-N 0 0 325.409 0.441 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)c2cnc3c(c2)c(C)nn3C)C1 ZINC000262792349 165388640 /nfs/dbraw/zinc/38/86/40/165388640.db2.gz KZNHFZIBCAKHJH-UHFFFAOYSA-N 0 0 345.403 0.944 10 0 ECAERN C[N@@H+](CC(=O)[O-])C[C@@H]1CN(C(=O)c2cccc(F)c2F)CCO1 ZINC000262870481 165396775 /nfs/dbraw/zinc/39/67/75/165396775.db2.gz CXCKQRCBYPVFOB-SNVBAGLBSA-N 0 0 328.315 0.822 10 0 ECAERN C[N@@H+](CC(=O)[O-])C[C@H]1CN(C(=O)c2cc(C(C)(C)C)on2)CCO1 ZINC000262882793 165398326 /nfs/dbraw/zinc/39/83/26/165398326.db2.gz FTELFNUGDAOZTK-NSHDSACASA-N 0 0 339.392 0.830 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)N[C@@H]2CCCC[C@@H]2CO)C1 ZINC000263505257 165451295 /nfs/dbraw/zinc/45/12/95/165451295.db2.gz WXHKQGHFVRPIJH-BLYZHGLHSA-N 0 0 327.425 0.774 10 0 ECAERN CC(C)C[C@@H](NC(=O)[C@@H]1CNC(=O)C1)c1nc(-c2nc[nH]n2)no1 ZINC000121047966 221744217 /nfs/dbraw/zinc/74/42/17/221744217.db2.gz PLIGWONZZSDMKA-DTWKUNHWSA-N 0 0 333.352 0.194 10 0 ECAERN COCC(=O)N(C)CC(=O)N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000122626905 222126646 /nfs/dbraw/zinc/12/66/46/222126646.db2.gz QIOVQASBUPLIFQ-ZDUSSCGKSA-N 0 0 349.435 0.773 10 0 ECAERN CN1C(=O)C[C@@H](C(=O)NCC(=O)NC2CC2)[C@@H]1c1ccc(F)cc1 ZINC000124064735 222371011 /nfs/dbraw/zinc/37/10/11/222371011.db2.gz SFGGNZYWDGOTKB-CJNGLKHVSA-N 0 0 333.363 0.740 10 0 ECAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1ccc(OCC(N)=O)cc1 ZINC000124087929 222373971 /nfs/dbraw/zinc/37/39/71/222373971.db2.gz YGEHDJRMWYEWEZ-ZDUSSCGKSA-N 0 0 343.387 0.970 10 0 ECAERN Cc1cnn(C[C@@H]2CN(C(=O)CSc3n[nH]c(C)n3)CCO2)c1 ZINC000174806201 263151429 /nfs/dbraw/zinc/15/14/29/263151429.db2.gz GQJKZRQBPYKKQR-LBPRGKRZSA-N 0 0 336.421 0.638 10 0 ECAERN CCOCCN1CCN(C(=O)C(=O)Nc2cnn(C)c2C)C[C@H]1C ZINC000176631634 263153512 /nfs/dbraw/zinc/15/35/12/263153512.db2.gz ODCSVDIQHGZIFM-GFCCVEGCSA-N 0 0 337.424 0.236 10 0 ECAERN CC(=O)NC1CN(C(=O)C(=O)Nc2cccc(-c3ncco3)c2)C1 ZINC000191342181 263165088 /nfs/dbraw/zinc/16/50/88/263165088.db2.gz UQGCBMPOYXXSHU-UHFFFAOYSA-N 0 0 328.328 0.627 10 0 ECAERN CO[C@H]1C[C@@H](C(N)=O)N(C(=O)COc2ccc(F)cc2Cl)C1 ZINC000284523823 264224195 /nfs/dbraw/zinc/22/41/95/264224195.db2.gz GGBYNJOFCHHFCK-ONGXEEELSA-N 0 0 330.743 0.959 10 0 ECAERN O=C(NC1CN(C(=O)c2cnc(-c3ncccn3)s2)C1)C1CC1 ZINC000189483716 437601346 /nfs/dbraw/zinc/60/13/46/437601346.db2.gz URNOZULIMQRHDY-UHFFFAOYSA-N 0 0 329.385 0.951 10 0 ECAERN Cc1cc(C)cc(C(=O)NCC(=O)N2CC(NC(=O)C3CC3)C2)c1 ZINC000189471558 437602299 /nfs/dbraw/zinc/60/22/99/437602299.db2.gz VDVNZNIICWZKSB-UHFFFAOYSA-N 0 0 329.400 0.770 10 0 ECAERN O=C(CCc1nc(-c2ccccn2)no1)N1CC(NC(=O)C2CC2)C1 ZINC000189500665 437604683 /nfs/dbraw/zinc/60/46/83/437604683.db2.gz QEVCNHOATYHHGE-UHFFFAOYSA-N 0 0 341.371 0.801 10 0 ECAERN CC(C)[C@H](NC(=O)C(=O)Nc1cnn(-c2ccccc2F)c1)C(N)=O ZINC000189537721 437604996 /nfs/dbraw/zinc/60/49/96/437604996.db2.gz LNJBFXIJBMHSLG-ZDUSSCGKSA-N 0 0 347.350 0.576 10 0 ECAERN CC(C)n1nnnc1CN1CCN(Cc2nnnn2C(C)C)[C@@H](C)C1 ZINC000114485408 280808027 /nfs/dbraw/zinc/80/80/27/280808027.db2.gz RGRROGICVNVWMO-ZDUSSCGKSA-N 0 0 348.459 0.528 10 0 ECAERN NS(=O)(=O)c1nc(I)ccc1OC1CC1 ZINC000095734592 295291338 /nfs/dbraw/zinc/29/13/38/295291338.db2.gz AGBJUPZVJIZVAZ-UHFFFAOYSA-N 0 0 340.142 0.875 10 0 ECAERN O=C1[C@H](N2CCC[C@@H](N3CCCS3(=O)=O)C2)CCN1C1CC1 ZINC000333055963 297105463 /nfs/dbraw/zinc/10/54/63/297105463.db2.gz RHMUSIJDZHXHEV-ZIAGYGMSSA-N 0 0 327.450 0.250 10 0 ECAERN Cc1nc2c(nccc2C(=O)N2CCO[C@H](CN(C)CC(N)=O)C2)[nH]1 ZINC000333107013 297110413 /nfs/dbraw/zinc/11/04/13/297110413.db2.gz DTMKCWSVLCACMS-LLVKDONJSA-N 0 0 346.391 0.574 10 0 ECAERN CO[C@H]1CN(S(=O)(=O)CCc2ccc3c(c2)CCO3)C[C@@H]1OC ZINC000333238786 297120436 /nfs/dbraw/zinc/12/04/36/297120436.db2.gz VYDZKZINRVJXPD-HOTGVXAUSA-N 0 0 341.429 0.839 10 0 ECAERN O=C([C@@H]1CC(=O)C[C@@H]1C(=O)N1CCSCC1)N1CCSCC1 ZINC000333309447 297123420 /nfs/dbraw/zinc/12/34/20/297123420.db2.gz IYSSBPYVFLLQNU-BETUJISGSA-N 0 0 342.486 0.733 10 0 ECAERN CN(C(=O)[C@@H]1CC(=O)C[C@@H]1C(=O)N(C)[C@@H]1CCOC1)[C@@H]1CCOC1 ZINC000333405461 297131404 /nfs/dbraw/zinc/13/14/04/297131404.db2.gz CGUAJYPQOFJROX-GBOPCIDUSA-N 0 0 338.404 0.076 10 0 ECAERN CN(C)C(=O)[C@H]1CC[C@@H](C(=O)N2CCC(Cc3ncc[nH]3)CC2)O1 ZINC000333509069 297138893 /nfs/dbraw/zinc/13/88/93/297138893.db2.gz TYXVEVYAWFABAP-KGLIPLIRSA-N 0 0 334.420 0.827 10 0 ECAERN CO[C@@H]1COC[C@H]1N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000333570066 297142541 /nfs/dbraw/zinc/14/25/41/297142541.db2.gz PPRGJFUGUOGCGE-CZUORRHYSA-N 0 0 334.372 0.587 10 0 ECAERN CC(=O)N1CCC[C@](O)(C(=O)N2CCOc3cccc(F)c3C2)C1 ZINC000347919153 298534907 /nfs/dbraw/zinc/53/49/07/298534907.db2.gz IYLKHBMGUWSMGW-QGZVFWFLSA-N 0 0 336.363 0.920 10 0 ECAERN NC(=O)[C@@H]1CC[C@H](CNC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)O1 ZINC000362801654 300222729 /nfs/dbraw/zinc/22/27/29/300222729.db2.gz HCAARZORXAUPNP-ZWUHOBOKSA-N 0 0 325.409 0.356 10 0 ECAERN COC(=O)c1sc(=S)n(-c2ccc(S(N)(=O)=O)cc2)c1N ZINC000005320259 435985977 /nfs/dbraw/zinc/98/59/77/435985977.db2.gz KHVINIOMZYCXLQ-MRVPVSSYSA-N 0 0 345.427 0.691 10 0 ECAERN C[C@@H](NC(=O)C(=O)Nc1ccc(-n2cccn2)nc1)[C@H]1CCCO1 ZINC000071066932 436004400 /nfs/dbraw/zinc/00/44/00/436004400.db2.gz SAKFHPFZTCTJSJ-DGCLKSJQSA-N 0 0 329.360 0.890 10 0 ECAERN C[C@H](CNC(=O)C(=O)c1cnn(-c2ccccc2)c1)N1CCOCC1 ZINC000071107557 436004715 /nfs/dbraw/zinc/00/47/15/436004715.db2.gz QLGAZVXSMOJWBJ-CQSZACIVSA-N 0 0 342.399 0.892 10 0 ECAERN CN1CCN(C(=O)[C@@H]2C[C@H](C(=O)[O-])C[N@H+](Cc3ccccn3)C2)CC1 ZINC000071422314 436005951 /nfs/dbraw/zinc/00/59/51/436005951.db2.gz GYNPEPVIXOCYTF-CABCVRRESA-N 0 0 346.431 0.378 10 0 ECAERN C[C@@H](NC(=O)c1ccco1)C(=O)N1CCN(c2cnn(C)c2)CC1 ZINC000074392209 436126128 /nfs/dbraw/zinc/12/61/28/436126128.db2.gz OPHPHOIAXIIUQJ-GFCCVEGCSA-N 0 0 331.376 0.480 10 0 ECAERN Cc1cc(C(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000174849808 301125127 /nfs/dbraw/zinc/12/51/27/301125127.db2.gz NDTNAIMDSICOPB-WDEREUQCSA-N 0 0 343.387 0.641 10 0 ECAERN CO[C@@H]1CCC[C@@H]1[C@@H]1COCCN1S(=O)(=O)[C@@H](C)C(=O)N(C)C ZINC000375215749 301159217 /nfs/dbraw/zinc/15/92/17/301159217.db2.gz OZQXWDAHPMUFCP-RFQIPJPRSA-N 0 0 348.465 0.309 10 0 ECAERN CC(C)N1C[C@]2(CCCN(Cc3nc(C(N)=O)no3)C2)CCC1=O ZINC000077419903 436235550 /nfs/dbraw/zinc/23/55/50/436235550.db2.gz IEXRVUAOGXAUBV-MRXNPFEDSA-N 0 0 335.408 0.782 10 0 ECAERN CN(C)S(=O)(=O)Nc1ccc(I)cn1 ZINC000083446445 436373451 /nfs/dbraw/zinc/37/34/51/436373451.db2.gz WEHYTOGKMIJXIT-UHFFFAOYSA-N 0 0 327.147 0.905 10 0 ECAERN Cc1ccc([C@H](C)NC(=O)N(C)C[C@@H](O)CN2CCOCC2)o1 ZINC000083695278 436374648 /nfs/dbraw/zinc/37/46/48/436374648.db2.gz IQTBSHFLVLQUHT-UONOGXRCSA-N 0 0 325.409 0.984 10 0 ECAERN Cc1ccn(C)c(=O)c1NC(=O)C(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000091249345 436447032 /nfs/dbraw/zinc/44/70/32/436447032.db2.gz YQDURYCTCOKZON-ACJLOTCBSA-N 0 0 347.415 0.786 10 0 ECAERN CCNC(=O)CN1CCN(c2cncc(-n3ccnc3C)n2)CC1 ZINC000092887239 436477894 /nfs/dbraw/zinc/47/78/94/436477894.db2.gz CZXNMEGIZNLMIH-UHFFFAOYSA-N 0 0 329.408 0.229 10 0 ECAERN C[C@H](CNC(=O)CNC(=O)c1cc(F)cc(F)c1)N1CCOCC1 ZINC000098093309 436546577 /nfs/dbraw/zinc/54/65/77/436546577.db2.gz ONZVTPLOAYTQEK-LLVKDONJSA-N 0 0 341.358 0.532 10 0 ECAERN Cc1nnc(CN2CCN(c3ccc4nncn4n3)CC2)n1C1CC1 ZINC000105817429 436579622 /nfs/dbraw/zinc/57/96/22/436579622.db2.gz PNKKQHZLXUGVFD-UHFFFAOYSA-N 0 0 339.407 0.681 10 0 ECAERN CN1CCO[C@@H](CNC(=O)NCCC(=O)NC2CCCCC2)C1 ZINC000104791056 436562707 /nfs/dbraw/zinc/56/27/07/436562707.db2.gz ZLGWRMFIGVRXQD-AWEZNQCLSA-N 0 0 326.441 0.455 10 0 ECAERN CCNC(=O)c1ccc(CNC(=O)NC[C@H]2CN(C)CCO2)cc1 ZINC000104787615 436564153 /nfs/dbraw/zinc/56/41/53/436564153.db2.gz UUWHKAGZWVIIPR-HNNXBMFYSA-N 0 0 334.420 0.566 10 0 ECAERN CNC(=O)CN1CCC(NC(=O)N[C@H]2COc3ccccc32)CC1 ZINC000058575853 436627685 /nfs/dbraw/zinc/62/76/85/436627685.db2.gz XFYHDJQUDXERSO-AWEZNQCLSA-N 0 0 332.404 0.630 10 0 ECAERN CCCNC(=O)CN(C)C(=O)CN1CCC(Cn2cccn2)CC1 ZINC000105886543 436585284 /nfs/dbraw/zinc/58/52/84/436585284.db2.gz QWYGWWQGQJFOSQ-UHFFFAOYSA-N 0 0 335.452 0.580 10 0 ECAERN C[C@@H](C(=O)NCC(F)(F)F)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000105917712 436585711 /nfs/dbraw/zinc/58/57/11/436585711.db2.gz VBDLRXRWGHPBSN-LBPRGKRZSA-N 0 0 347.385 0.995 10 0 ECAERN CC(C)N1CCO[C@H](CN2CCN(CC(=O)c3cccn3C)CC2)C1 ZINC000106122547 436590546 /nfs/dbraw/zinc/59/05/46/436590546.db2.gz UPSKFECBDXASDI-QGZVFWFLSA-N 0 0 348.491 0.935 10 0 ECAERN CC(C)[C@H](NS(=O)(=O)c1c(Cl)nc2ccccn21)C(N)=O ZINC000107311135 436611340 /nfs/dbraw/zinc/61/13/40/436611340.db2.gz SYQFLDCYVQQSOO-VIFPVBQESA-N 0 0 330.797 0.776 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)CNC(=O)c1cccc(F)c1)CC2 ZINC000114890685 436644345 /nfs/dbraw/zinc/64/43/45/436644345.db2.gz FDWIQNSMYOESHG-ZDUSSCGKSA-N 0 0 345.378 0.841 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)[C@H](C)NC(=O)c1ccco1)CC2 ZINC000114863416 436644789 /nfs/dbraw/zinc/64/47/89/436644789.db2.gz IYOUYEYMGKILCW-WDEREUQCSA-N 0 0 331.376 0.683 10 0 ECAERN Cn1cc([C@H]2CCN(C(=O)Cc3ccc(-n4cnnn4)cc3)C2)cn1 ZINC000116115645 436648931 /nfs/dbraw/zinc/64/89/31/436648931.db2.gz YLOKSKDVPJBARH-AWEZNQCLSA-N 0 0 337.387 0.954 10 0 ECAERN Cn1cc([C@H]2CCN(C(=O)[C@@H]3CCCCN3S(C)(=O)=O)C2)cn1 ZINC000116120942 436649535 /nfs/dbraw/zinc/64/95/35/436649535.db2.gz SGMTXJIXCNVMJI-JSGCOSHPSA-N 0 0 340.449 0.550 10 0 ECAERN O=C(NC[C@@H](O)CN1CCOCC1)Nc1cc(F)c(F)cc1F ZINC000120504054 436689974 /nfs/dbraw/zinc/68/99/74/436689974.db2.gz WIWCELMFDOGAQU-SECBINFHSA-N 0 0 333.310 0.919 10 0 ECAERN Cn1cc(/C=C/C(=O)N2CC[C@]3(O)CCCC[C@H]3C2)c(=O)n(C)c1=O ZINC000151083552 436697237 /nfs/dbraw/zinc/69/72/37/436697237.db2.gz NSDWGLFXNQJWRH-LKCQJKFCSA-N 0 0 347.415 0.251 10 0 ECAERN CCC(=O)N1CC[C@@H](NC(=O)N2CCO[C@@H](Cn3cccn3)C2)C1 ZINC000151664894 436707828 /nfs/dbraw/zinc/70/78/28/436707828.db2.gz SZPLBODCKUBRBL-ZIAGYGMSSA-N 0 0 335.408 0.304 10 0 ECAERN CCCCOC[C@@H](O)CN1CCN([C@H](C)C(=O)N2CCCC2)CC1 ZINC000195182951 436682806 /nfs/dbraw/zinc/68/28/06/436682806.db2.gz QUIDJTQYZCJAAG-SJORKVTESA-N 0 0 341.496 0.793 10 0 ECAERN CCN(CC)S(=O)(=O)CC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000121777135 436724177 /nfs/dbraw/zinc/72/41/77/436724177.db2.gz RWBSTROAPLZWLY-HIFRSBDPSA-N 0 0 332.466 0.812 10 0 ECAERN C[C@H](O)CN1CCN(C(=O)Nc2cccnc2-n2cncn2)C[C@H]1C ZINC000246087338 436772815 /nfs/dbraw/zinc/77/28/15/436772815.db2.gz WDISQEOYFYRIIA-OLZOCXBDSA-N 0 0 345.407 0.581 10 0 ECAERN CCOCCN1CCN(C(=O)[C@@H]2CCN(C(=O)CC)C2)C[C@@H]1C ZINC000246395578 436778629 /nfs/dbraw/zinc/77/86/29/436778629.db2.gz JMMQPGCMRFJAFA-LSDHHAIUSA-N 0 0 325.453 0.814 10 0 ECAERN C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N(C)CCN(C)C ZINC000126218931 436783581 /nfs/dbraw/zinc/78/35/81/436783581.db2.gz CCWMBPKJBCRTSJ-NSHDSACASA-N 0 0 338.433 0.134 10 0 ECAERN CCOCCN1CCN(S(=O)(=O)C[C@H]2CCOC2)C[C@@H]1CC ZINC000246939453 436787371 /nfs/dbraw/zinc/78/73/71/436787371.db2.gz CDNWTEFCWDWHKJ-GJZGRUSLSA-N 0 0 334.482 0.785 10 0 ECAERN CN1C(=O)C[C@H](C(=O)NCCS(C)(=O)=O)[C@@H]1c1ccc(F)cc1 ZINC000155023791 436788009 /nfs/dbraw/zinc/78/80/09/436788009.db2.gz IIICFGLJMCDPNS-JSGCOSHPSA-N 0 0 342.392 0.506 10 0 ECAERN COCCN1CCN(C(=O)[C@H]2Cc3ccccc3C(=O)O2)C[C@@H]1C ZINC000247209361 436790256 /nfs/dbraw/zinc/79/02/56/436790256.db2.gz UMOWGZKAVQSZPZ-XJKSGUPXSA-N 0 0 332.400 0.947 10 0 ECAERN CCOCCN1CCN(S(=O)(=O)C[C@H]2CCCO2)C[C@@H]1CC ZINC000247274254 436792037 /nfs/dbraw/zinc/79/20/37/436792037.db2.gz ZRBIBTAMTZVJNQ-LSDHHAIUSA-N 0 0 334.482 0.928 10 0 ECAERN CC[C@@H](C(=O)N1CCN(CCOC)[C@H](CC)C1)N1CCCC1=O ZINC000247499247 436794264 /nfs/dbraw/zinc/79/42/64/436794264.db2.gz WZQBGJMMZRUTBU-CABCVRRESA-N 0 0 325.453 0.957 10 0 ECAERN C[C@@H](NC(=O)c1ccco1)C(=O)N1CCC[C@H](Cn2cncn2)C1 ZINC000127193136 436797610 /nfs/dbraw/zinc/79/76/10/436797610.db2.gz BYZWKHQTRWGIRT-OLZOCXBDSA-N 0 0 331.376 0.928 10 0 ECAERN CN(CCN1CCOCC1)C(=O)c1cccc(C(=O)N2CCCC2)n1 ZINC000155681629 436800456 /nfs/dbraw/zinc/80/04/56/436800456.db2.gz ICCOJGHCZCOQLF-UHFFFAOYSA-N 0 0 346.431 0.722 10 0 ECAERN CN1CCN(CC(=O)N2CCC[C@@H](C(N)=O)C2)[C@@H](c2ccccc2)C1 ZINC000248395627 436802369 /nfs/dbraw/zinc/80/23/69/436802369.db2.gz GIBMFFSGEYVKOJ-IAGOWNOFSA-N 0 0 344.459 0.699 10 0 ECAERN CCS(=O)(=O)NCC(=O)N1CCC[C@H]1c1c(C)nn(C)c1C ZINC000130740367 436842690 /nfs/dbraw/zinc/84/26/90/436842690.db2.gz OAOGCVNHGSANTG-LBPRGKRZSA-N 0 0 328.438 0.640 10 0 ECAERN O=C(Cc1cccc(F)c1)N[C@@H]1CN(c2ccncn2)C[C@H]1CO ZINC000253412255 436843856 /nfs/dbraw/zinc/84/38/56/436843856.db2.gz QJVKDAJWQBTKSQ-DZGCQCFKSA-N 0 0 330.363 0.772 10 0 ECAERN CC(C)n1nnnc1CS(=O)(=O)CC(=O)N1CCC[C@H](C)C1 ZINC000157561006 436829428 /nfs/dbraw/zinc/82/94/28/436829428.db2.gz SPMRABXAGRGQLK-NSHDSACASA-N 0 0 329.426 0.427 10 0 ECAERN CN1CCN(C(=O)Cn2cc(NC(=O)[C@H]3CCCCO3)cn2)CC1 ZINC000157654010 436832442 /nfs/dbraw/zinc/83/24/42/436832442.db2.gz CKMCDQDKRFUMGU-CQSZACIVSA-N 0 0 335.408 0.165 10 0 ECAERN CN1CCO[C@@H](CNC(=O)CCN2C(=O)CCc3ccccc32)C1 ZINC000157670666 436832802 /nfs/dbraw/zinc/83/28/02/436832802.db2.gz UAVKJGFIXBSJNC-HNNXBMFYSA-N 0 0 331.416 0.803 10 0 ECAERN COCC(=O)N[C@H](C(=O)N[C@@H](C)c1nnc2n1CCCC2)C(C)C ZINC000135309729 436914585 /nfs/dbraw/zinc/91/45/85/436914585.db2.gz LNBUGQHJSUCJRE-FZMZJTMJSA-N 0 0 337.424 0.579 10 0 ECAERN O=C(NCCn1ccnc1)[C@@H]1CCC[C@@H]1C(=O)NCCn1ccnc1 ZINC000135883382 436925911 /nfs/dbraw/zinc/92/59/11/436925911.db2.gz GANQDFSOTIVYRO-GASCZTMLSA-N 0 0 344.419 0.429 10 0 ECAERN COCC(=O)N[C@H](C(=O)N1CCC(Cn2cccn2)CC1)C(C)C ZINC000133964634 436887528 /nfs/dbraw/zinc/88/75/28/436887528.db2.gz CSDCUCROCAEVAJ-INIZCTEOSA-N 0 0 336.436 0.909 10 0 ECAERN C[C@H]1OCCN[C@@H]1C(=O)NCc1cccc(NS(C)(=O)=O)c1 ZINC000261910059 436896523 /nfs/dbraw/zinc/89/65/23/436896523.db2.gz IWJHUEMWUKZOBM-MFKMUULPSA-N 0 0 327.406 0.051 10 0 ECAERN CCS(=O)(=O)NCC(=O)N1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC000135015120 436908647 /nfs/dbraw/zinc/90/86/47/436908647.db2.gz WCUMAKGXASMBQK-ZDUSSCGKSA-N 0 0 343.453 0.073 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)N2CCSC[C@@H]2CCO)C1 ZINC000263493832 436968621 /nfs/dbraw/zinc/96/86/21/436968621.db2.gz SDPUNJOWWISTTL-CPCZMJQVSA-N 0 0 345.465 0.433 10 0 ECAERN Cc1nnc(N2CCC[C@]3(CN(Cc4nccn4C)CCO3)C2)o1 ZINC000096074909 302814871 /nfs/dbraw/zinc/81/48/71/302814871.db2.gz UPAZROXNBOKBHG-INIZCTEOSA-N 0 0 332.408 0.983 10 0 ECAERN Cc1nnc(CN2CCN(CC(=O)NC3CCCCC3)CC2)n1C ZINC000171393215 436977462 /nfs/dbraw/zinc/97/74/62/436977462.db2.gz UCKWYJLRYCZAQO-UHFFFAOYSA-N 0 0 334.468 0.690 10 0 ECAERN COCCN(C[C@H]1CN(C[C@@H](C)O)CCO1)C(=O)c1ccccc1 ZINC000169681287 436943295 /nfs/dbraw/zinc/94/32/95/436943295.db2.gz PKGCNUSDMGOINC-NVXWUHKLSA-N 0 0 336.432 0.857 10 0 ECAERN O=C(CN1CCCN(C(=O)[C@@H]2CC(F)(F)CN2)CC1)N1CCCC1 ZINC000262925510 436945082 /nfs/dbraw/zinc/94/50/82/436945082.db2.gz HIUMPDAHFSETHU-ZDUSSCGKSA-N 0 0 344.406 0.140 10 0 ECAERN CCCS(=O)(=O)N1CCC(NC(=O)[C@@H]2CC(F)(F)CN2)CC1 ZINC000263030423 436949546 /nfs/dbraw/zinc/94/95/46/436949546.db2.gz RWJSEEKCPNADBD-NSHDSACASA-N 0 0 339.408 0.304 10 0 ECAERN O=C(Nc1cnn(CCN2CCOCC2)c1)[C@H]1CC(F)(F)CN1 ZINC000263178977 436954254 /nfs/dbraw/zinc/95/42/54/436954254.db2.gz GMTLIQHVADKQHK-GFCCVEGCSA-N 0 0 329.351 0.151 10 0 ECAERN O=C(N[C@H]1CCc2ncnn2C1)N1CCC(Nc2cccnn2)CC1 ZINC000172628971 437024476 /nfs/dbraw/zinc/02/44/76/437024476.db2.gz BSJLFAQAPGFPEF-ZDUSSCGKSA-N 0 0 342.407 0.669 10 0 ECAERN Cc1ccc2ncc(C(=O)N3CC[C@H](N4CCOCC4)C3)c(=O)n2c1 ZINC000172756852 437029359 /nfs/dbraw/zinc/02/93/59/437029359.db2.gz ZSTRDAWLDOLERY-AWEZNQCLSA-N 0 0 342.399 0.550 10 0 ECAERN O=C(CCCCN1CCOCC1)N1CC[C@H](N2CCOCC2)C1 ZINC000172759307 437029542 /nfs/dbraw/zinc/02/95/42/437029542.db2.gz XOXOQNBIAFEQNK-INIZCTEOSA-N 0 0 325.453 0.422 10 0 ECAERN Cc1nc(CN2CCCN(C(=O)CN3CCCCCC3=O)CC2)no1 ZINC000171787976 436989993 /nfs/dbraw/zinc/98/99/93/436989993.db2.gz QRJYEWFHTHNEAD-UHFFFAOYSA-N 0 0 349.435 0.815 10 0 ECAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)N[C@@H](C)C(=O)N(C)C)C2)n1 ZINC000172122818 436998552 /nfs/dbraw/zinc/99/85/52/436998552.db2.gz KJQAOZUXOOOXAF-FZMZJTMJSA-N 0 0 336.440 0.793 10 0 ECAERN Cc1nn(C)c(C)c1CN1CCN(C(=O)NCCn2cccn2)CC1 ZINC000172153306 437000683 /nfs/dbraw/zinc/00/06/83/437000683.db2.gz SHPDEHJSPZJBBM-UHFFFAOYSA-N 0 0 345.451 0.761 10 0 ECAERN CCOc1ccnc(N2CCN(C(=O)NCc3cnn(C)c3)CC2)n1 ZINC000172254096 437004875 /nfs/dbraw/zinc/00/48/75/437004875.db2.gz OUBCJBFJYZASCJ-UHFFFAOYSA-N 0 0 345.407 0.641 10 0 ECAERN CN1CCO[C@@H](CNC(=O)C(=O)N2CCCc3ccc(F)cc32)C1 ZINC000172308741 437008613 /nfs/dbraw/zinc/00/86/13/437008613.db2.gz SOFRFZUYOSLSEF-AWEZNQCLSA-N 0 0 335.379 0.552 10 0 ECAERN COCCN1CCN(C(=O)NCCNC(=O)c2ccco2)C[C@H]1C ZINC000172324216 437011534 /nfs/dbraw/zinc/01/15/34/437011534.db2.gz WPLOQLLYUPMTGZ-CYBMUJFWSA-N 0 0 338.408 0.372 10 0 ECAERN Cc1cnn(CCNC(=O)N[C@H]2CCCN(c3ccn(C)n3)C2=O)c1 ZINC000173204236 437041520 /nfs/dbraw/zinc/04/15/20/437041520.db2.gz YJMBHQJVKUZMJK-ZDUSSCGKSA-N 0 0 345.407 0.420 10 0 ECAERN CCNC(=O)CCCC(=O)NC[C@H]1CCCN1c1cc(NC)ncn1 ZINC000173447742 437051416 /nfs/dbraw/zinc/05/14/16/437051416.db2.gz NIVSXHXGIYHHCU-CYBMUJFWSA-N 0 0 348.451 0.910 10 0 ECAERN CCc1nccn1[C@H]1CCCN(C(=O)C(C)(C)NS(C)(=O)=O)C1 ZINC000173571880 437058337 /nfs/dbraw/zinc/05/83/37/437058337.db2.gz UWKWLRXGJYYGRV-LBPRGKRZSA-N 0 0 342.465 0.937 10 0 ECAERN COc1ccccc1CNC(=O)CN1CCO[C@H](c2nnc(C)[nH]2)C1 ZINC000173669950 437059793 /nfs/dbraw/zinc/05/97/93/437059793.db2.gz CUDFHZSPIYXYKZ-HNNXBMFYSA-N 0 0 345.403 0.811 10 0 ECAERN CNC(=O)c1cccc(CNC(=O)N2CC[C@H](N3CCOCC3)C2)c1 ZINC000173856363 437065686 /nfs/dbraw/zinc/06/56/86/437065686.db2.gz AXXZOFGIGXUQSY-INIZCTEOSA-N 0 0 346.431 0.662 10 0 ECAERN Cc1cc(S(=O)(=O)N2CCC[C@](O)(C(N)=O)C2)sc1Cl ZINC000284711676 437065863 /nfs/dbraw/zinc/06/58/63/437065863.db2.gz KUHGSHQTQSIIEK-LLVKDONJSA-N 0 0 338.838 0.711 10 0 ECAERN O=C(CNC(=O)c1cccc(F)c1)N1CC[C@H](N2CCOCC2)C1 ZINC000173921488 437067599 /nfs/dbraw/zinc/06/75/99/437067599.db2.gz CSQWLUYVUTWZKV-HNNXBMFYSA-N 0 0 335.379 0.489 10 0 ECAERN CC(C)CS(=O)(=O)CCC(=O)N1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000174316901 437078557 /nfs/dbraw/zinc/07/85/57/437078557.db2.gz AZSXJMWGZCOPLY-UONOGXRCSA-N 0 0 334.482 0.361 10 0 ECAERN CC1(C)CN(CCNC(=O)N2CCC[C@H](n3cncn3)C2)CCO1 ZINC000174549510 437082061 /nfs/dbraw/zinc/08/20/61/437082061.db2.gz LTOZMICJSRLAEG-AWEZNQCLSA-N 0 0 336.440 0.735 10 0 ECAERN Cc1cnn(C[C@@H]2CN(S(=O)(=O)CCOC(C)C)CCO2)c1 ZINC000175113626 437095421 /nfs/dbraw/zinc/09/54/21/437095421.db2.gz KUJBNVPKKWYUBM-CQSZACIVSA-N 0 0 331.438 0.647 10 0 ECAERN C[C@H]1CN(C(=O)NCCCN2CCOCC2)C[C@H]1N1CCOCC1 ZINC000175609829 437109164 /nfs/dbraw/zinc/10/91/64/437109164.db2.gz STWMNACOLIKXRI-JKSUJKDBSA-N 0 0 340.468 0.071 10 0 ECAERN CC(C)CN(C(=O)CS(=O)(=O)Cc1nnnn1C(C)C)C1CC1 ZINC000176392312 437141151 /nfs/dbraw/zinc/14/11/51/437141151.db2.gz ZUJJHJBXMJKJTH-UHFFFAOYSA-N 0 0 343.453 0.816 10 0 ECAERN Cc1nc2n(n1)CCC[C@H]2Nc1cc(N2CCN(C)C(=O)C2)ncn1 ZINC000302591969 437145260 /nfs/dbraw/zinc/14/52/60/437145260.db2.gz WHKXQNHDLDPYTM-GFCCVEGCSA-N 0 0 342.407 0.602 10 0 ECAERN Cc1ccc([C@H](CNC(=O)CCNC(N)=O)N2CCOCC2)s1 ZINC000176558099 437147918 /nfs/dbraw/zinc/14/79/18/437147918.db2.gz VABSTGFIVDAJIL-LBPRGKRZSA-N 0 0 340.449 0.604 10 0 ECAERN CS(=O)(=O)NCc1ccc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)o1 ZINC000176622199 437150632 /nfs/dbraw/zinc/15/06/32/437150632.db2.gz KWOAOSYEGHRNOT-NSHDSACASA-N 0 0 327.406 0.249 10 0 ECAERN Cc1cc(N2CCC[C@@H](NC(=O)N(C)CC(C)(C)O)C2=O)n(C)n1 ZINC000176680660 437152614 /nfs/dbraw/zinc/15/26/14/437152614.db2.gz GPZPCJRUWNJHGX-GFCCVEGCSA-N 0 0 337.424 0.636 10 0 ECAERN Cn1cc(N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2=O)cn1 ZINC000301515497 437121873 /nfs/dbraw/zinc/12/18/73/437121873.db2.gz GJRBSBCSFFEGJB-UHFFFAOYSA-N 0 0 345.384 0.218 10 0 ECAERN OC[C@H]1CCCN(c2cc(NC[C@H]3CN4CCN3CC4)ncn2)C1 ZINC000301770169 437130774 /nfs/dbraw/zinc/13/07/74/437130774.db2.gz JJBNGFLQAIWJRX-GJZGRUSLSA-N 0 0 332.452 0.097 10 0 ECAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)CNC(=O)c1ccccn1 ZINC000176340904 437140350 /nfs/dbraw/zinc/14/03/50/437140350.db2.gz HNVFIYQKFLEAFG-NSHDSACASA-N 0 0 328.376 0.617 10 0 ECAERN CC(=O)NCCNC(=O)CCC(=O)N1CCC[C@H]1Cn1ccnc1C ZINC000177187316 437174379 /nfs/dbraw/zinc/17/43/79/437174379.db2.gz IMULRHJUCYOCDU-HNNXBMFYSA-N 0 0 349.435 0.215 10 0 ECAERN CNC(=O)c1ccc(NC(=O)C(=O)N2CCN3CCCC[C@H]3C2)cc1 ZINC000177390224 437180679 /nfs/dbraw/zinc/18/06/79/437180679.db2.gz WUECUKRQLPWUFX-HNNXBMFYSA-N 0 0 344.415 0.681 10 0 ECAERN Cc1cc(NC(=O)C(=O)N2CCN3CCCC[C@H]3C2)ccc1C(N)=O ZINC000177396176 437182509 /nfs/dbraw/zinc/18/25/09/437182509.db2.gz MJIOQPREQOGRQM-AWEZNQCLSA-N 0 0 344.415 0.729 10 0 ECAERN O=C(Nc1ccc(-n2cccn2)nc1)C(=O)N[C@@H]1CCCC[C@H]1CO ZINC000177554799 437189035 /nfs/dbraw/zinc/18/90/35/437189035.db2.gz TYOVVLDSEWXAFD-GXTWGEPZSA-N 0 0 343.387 0.873 10 0 ECAERN CNC(=O)[C@H](NC(=O)N1CCC[C@@H](C(=O)NCC2CC2)C1)C(C)C ZINC000178399242 437214526 /nfs/dbraw/zinc/21/45/26/437214526.db2.gz WNEZAIAVOPXXTA-ZIAGYGMSSA-N 0 0 338.452 0.705 10 0 ECAERN Cc1nc(S(=O)(=O)NCC(=O)C(C)C)c(Br)n1C ZINC000287672499 437219091 /nfs/dbraw/zinc/21/90/91/437219091.db2.gz DHPDDZAFEFPJAK-UHFFFAOYSA-N 0 0 338.227 0.994 10 0 ECAERN CC(C)(C)OC(=O)N1CC[C@@H](C(=O)NC[C@H]2CN3CCN2CC3)C1 ZINC000178647278 437222691 /nfs/dbraw/zinc/22/26/91/437222691.db2.gz YKRGKVXYDMSYSB-KGLIPLIRSA-N 0 0 338.452 0.359 10 0 ECAERN CNC(=O)[C@H](NC(=O)[C@@H](C)n1nnc(-c2ccccc2)n1)C(C)C ZINC000178717096 437224228 /nfs/dbraw/zinc/22/42/28/437224228.db2.gz CPKODLLJMNUEBU-DGCLKSJQSA-N 0 0 330.392 0.788 10 0 ECAERN CCN1CCN(C(=O)Nc2nnc(C)s2)C[C@H]1c1nccn1C ZINC000328625220 437241169 /nfs/dbraw/zinc/24/11/69/437241169.db2.gz KLUXFCVFTFJGLV-NSHDSACASA-N 0 0 335.437 1.491 10 0 ECAERN CCS(=O)(=O)N1CCc2c(ncn(CCOC(C)C)c2=O)C1 ZINC000328644651 437245973 /nfs/dbraw/zinc/24/59/73/437245973.db2.gz RYDWWFITJGHSFW-UHFFFAOYSA-N 0 0 329.422 0.376 10 0 ECAERN Cc1ccccc1CN1CCN(C(=O)CN2C[C@@H](O)C[C@@H]2CO)CC1 ZINC000179170201 437252379 /nfs/dbraw/zinc/25/23/79/437252379.db2.gz FCSDGKAPPJHGED-MSOLQXFVSA-N 0 0 347.459 0.067 10 0 ECAERN CCn1cc(C(=O)C(=O)N[C@H]2CCc3nnc(C(C)C)n3C2)cn1 ZINC000179252250 437258428 /nfs/dbraw/zinc/25/84/28/437258428.db2.gz JCLALDNARFWEPZ-LBPRGKRZSA-N 0 0 330.392 0.932 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)N1CC(OCCCOC)C1)CC2 ZINC000179668181 437270294 /nfs/dbraw/zinc/27/02/94/437270294.db2.gz XWKYAIYBCHSPQW-GFCCVEGCSA-N 0 0 337.424 0.602 10 0 ECAERN C[C@@H]1CN(C(=O)C(=O)Nc2cccc(F)c2)C[C@@H]1N1CCOCC1 ZINC000180247204 437282395 /nfs/dbraw/zinc/28/23/95/437282395.db2.gz KBPGEBDGAYFMHQ-DOMZBBRYSA-N 0 0 335.379 0.943 10 0 ECAERN C[C@@H]1CN(C(=O)C(=O)Nc2cccc(F)c2)C[C@H]1N1CCOCC1 ZINC000180247244 437283999 /nfs/dbraw/zinc/28/39/99/437283999.db2.gz KBPGEBDGAYFMHQ-IUODEOHRSA-N 0 0 335.379 0.943 10 0 ECAERN Cc1sc2ncc(C(=O)N[C@@H]3CCc4ncnn4C3)c(=O)n2c1C ZINC000180708795 437298814 /nfs/dbraw/zinc/29/88/14/437298814.db2.gz TXJAKBXLOSFLIA-SNVBAGLBSA-N 0 0 344.400 0.709 10 0 ECAERN CCS(=O)(=O)NCCNC(=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000182354934 437346796 /nfs/dbraw/zinc/34/67/96/437346796.db2.gz FOYFQXKKBOGGIA-GFCCVEGCSA-N 0 0 329.426 0.586 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)N[C@H](C)[C@@H](C)N2CCOCC2)CC1 ZINC000181716931 437328786 /nfs/dbraw/zinc/32/87/86/437328786.db2.gz LKUIJKNNGVMKKW-OAGGEKHMSA-N 0 0 342.484 0.194 10 0 ECAERN c1nnc2ccc(N3CCN(CCO[C@@H]4CCCCO4)CC3)nn12 ZINC000181686956 437328828 /nfs/dbraw/zinc/32/88/28/437328828.db2.gz USAJZSBYINASOY-MRXNPFEDSA-N 0 0 332.408 0.790 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)NC[C@@H](c2ccco2)N(C)C)CC1 ZINC000184702969 437407910 /nfs/dbraw/zinc/40/79/10/437407910.db2.gz KJXFBRLHZOEHJN-CABCVRRESA-N 0 0 338.452 0.980 10 0 ECAERN COCCCCS(=O)(=O)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000184731244 437410258 /nfs/dbraw/zinc/41/02/58/437410258.db2.gz RKYUWSVVSSZXLH-UHFFFAOYSA-N 0 0 344.481 0.684 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)NCCNC(=O)C(C)(C)C)CC1 ZINC000185010972 437423348 /nfs/dbraw/zinc/42/33/48/437423348.db2.gz GVICULBMNJRKOO-ZDUSSCGKSA-N 0 0 328.457 0.247 10 0 ECAERN CCO[C@@H]1C[C@H](NS(=O)(=O)c2cnn(C)c2)C12CCOCC2 ZINC000185150074 437426741 /nfs/dbraw/zinc/42/67/41/437426741.db2.gz VXVUJYVTRMZEKK-QWHCGFSZSA-N 0 0 329.422 0.673 10 0 ECAERN O=C(CN1C[C@H](O)C[C@@H]1CO)NCCOc1cccc(Cl)c1 ZINC000185165186 437429437 /nfs/dbraw/zinc/42/94/37/437429437.db2.gz JGDZEAUVYCMWGQ-CHWSQXEVSA-N 0 0 328.796 0.263 10 0 ECAERN O=C(CNC(=O)N1CCN(C(=O)c2ccccc2)CC1)NCC1CC1 ZINC000183774079 437389986 /nfs/dbraw/zinc/38/99/86/437389986.db2.gz YJGBEAGERPBMHD-UHFFFAOYSA-N 0 0 344.415 0.680 10 0 ECAERN CN(C)c1ncncc1NC(=O)C(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000184465825 437401994 /nfs/dbraw/zinc/40/19/94/437401994.db2.gz SGPCRUMYIGQJOW-UHFFFAOYSA-N 0 0 343.391 0.610 10 0 ECAERN CCCN(CC)c1ccc(C(=O)N2CC(NC(=O)COC)C2)cn1 ZINC000186320556 437469620 /nfs/dbraw/zinc/46/96/20/437469620.db2.gz CCKQJKYHKPSRFG-UHFFFAOYSA-N 0 0 334.420 0.905 10 0 ECAERN COCC(=O)NC1CN(C(=O)c2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000186315147 437470409 /nfs/dbraw/zinc/47/04/09/437470409.db2.gz DRSRKCCSPDSVSY-UHFFFAOYSA-N 0 0 332.335 0.803 10 0 ECAERN COCC(=O)NC1CN(C(=O)NCCc2cc(F)ccc2F)C1 ZINC000185582464 437445977 /nfs/dbraw/zinc/44/59/77/437445977.db2.gz XLSSMYSATKGIGT-UHFFFAOYSA-N 0 0 327.331 0.664 10 0 ECAERN Cc1nnc([C@H]2CN(C(=O)c3cc(OC(F)F)n(C)n3)CCO2)[nH]1 ZINC000185709048 437449592 /nfs/dbraw/zinc/44/95/92/437449592.db2.gz YBMKXEHCQFSXPF-SECBINFHSA-N 0 0 342.306 0.662 10 0 ECAERN O=C(Nc1ccc2n[nH]cc2c1)C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000187979839 437519196 /nfs/dbraw/zinc/51/91/96/437519196.db2.gz FTQZGAYTTHAJPM-UHFFFAOYSA-N 0 0 327.344 0.238 10 0 ECAERN COCC(=O)NC1CN(C(=O)NC2CCN(c3ccccc3)CC2)C1 ZINC000188489244 437552205 /nfs/dbraw/zinc/55/22/05/437552205.db2.gz OTMXPCMCJIKNNR-UHFFFAOYSA-N 0 0 346.431 0.812 10 0 ECAERN C[C@@H](NC(=O)Nc1ccccc1)C(=O)N1CCN(CCO)[C@H](C)C1 ZINC000188771444 437567811 /nfs/dbraw/zinc/56/78/11/437567811.db2.gz VPOCDQOOJIGQPS-ZIAGYGMSSA-N 0 0 334.420 0.722 10 0 ECAERN CNC(=O)c1cccc(CNC(=O)N2CC(NC(=O)C3CCC3)C2)c1 ZINC000188806805 437573010 /nfs/dbraw/zinc/57/30/10/437573010.db2.gz MCPCWZSOANZMEE-UHFFFAOYSA-N 0 0 344.415 0.856 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)c2cccc(CC(=O)OC)c2)CC1 ZINC000189150947 437586261 /nfs/dbraw/zinc/58/62/61/437586261.db2.gz QGBPPZGLDKJLHL-INIZCTEOSA-N 0 0 334.416 0.931 10 0 ECAERN CC(=O)NC1CN(C(=O)[C@H](Cc2cccc(F)c2)n2nnnc2C)C1 ZINC000190473651 437626191 /nfs/dbraw/zinc/62/61/91/437626191.db2.gz ZUFKBOFDMNIMAL-HNNXBMFYSA-N 0 0 346.366 0.251 10 0 ECAERN O=C(NC1CN(C(=O)c2cc(N3CCOCC3)ccn2)C1)C1CCC1 ZINC000190824168 437640058 /nfs/dbraw/zinc/64/00/58/437640058.db2.gz ASFOGRPTMIYXAC-UHFFFAOYSA-N 0 0 344.415 0.659 10 0 ECAERN Cc1cc(N2CCN(Cc3nc(N(C)C)no3)CC2)n2ncnc2n1 ZINC000192711338 437689513 /nfs/dbraw/zinc/68/95/13/437689513.db2.gz DIIPCHFURMCPBU-UHFFFAOYSA-N 0 0 343.395 0.204 10 0 ECAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCCc1nc2cc(F)ccc2[nH]1 ZINC000365115356 437860158 /nfs/dbraw/zinc/86/01/58/437860158.db2.gz VMHRSVYHXUEVLO-BXUZGUMPSA-N 0 0 334.351 0.342 10 0 ECAERN CCn1cc(Br)cc1C(=O)N1CCC[C@](O)(C(N)=O)C1 ZINC000367575184 438226232 /nfs/dbraw/zinc/22/62/32/438226232.db2.gz ZSXYSWMIYRGBTN-CYBMUJFWSA-N 0 0 344.209 0.723 10 0 ECAERN Cc1oc(Br)cc1C(=O)N1CCC[C@](O)(C(N)=O)C1 ZINC000396514223 438447435 /nfs/dbraw/zinc/44/74/35/438447435.db2.gz RKCRIQLNFVFUTQ-GFCCVEGCSA-N 0 0 331.166 0.803 10 0 ECAERN CC(=O)N[C@@H]1[C@H](OC(C)=O)C[C@@H](CF)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000575629029 438751712 /nfs/dbraw/zinc/75/17/12/438751712.db2.gz IIHVKSRJKCVISE-VYDRJRHOSA-N 0 0 347.339 0.276 10 0 ECAERN O=C(N[C@@H]1CCNC1=O)c1ccc(I)cc1 ZINC000597855555 439194037 /nfs/dbraw/zinc/19/40/37/439194037.db2.gz JYNUGUZJMIJWTE-SECBINFHSA-N 0 0 330.125 0.910 10 0 ECAERN O=C(CN1CCC[C@](O)(c2cn[nH]n2)C1)NCc1ccccc1F ZINC000583618038 439488858 /nfs/dbraw/zinc/48/88/58/439488858.db2.gz WQAXVHATJOUFEC-MRXNPFEDSA-N 0 0 333.367 0.544 10 0 ECAERN Cc1cccn2c(=O)cc(CN3CCC[C@@](O)(c4cn[nH]n4)C3)nc12 ZINC000583617687 439489323 /nfs/dbraw/zinc/48/93/23/439489323.db2.gz FGDKDMNLCWGHGG-KRWDZBQOSA-N 0 0 340.387 0.605 10 0 ECAERN CN1C[C@H](NC(=O)CN2CCC(=O)NC2=O)CC[C@H]1C(F)(F)F ZINC000583620018 439489446 /nfs/dbraw/zinc/48/94/46/439489446.db2.gz JJOYSJBSTIIGBT-BDAKNGLRSA-N 0 0 336.314 0.070 10 0 ECAERN CCOC(=O)c1cccc([C@@H]2COCCCN2S(N)(=O)=O)c1 ZINC000616647345 439820542 /nfs/dbraw/zinc/82/05/42/439820542.db2.gz FMYOSBRIHAURCU-ZDUSSCGKSA-N 0 0 328.390 0.830 10 0 ECAERN CCOC(=O)c1cccc([C@@H]2CN(S(N)(=O)=O)CCCO2)c1 ZINC000616650851 439820718 /nfs/dbraw/zinc/82/07/18/439820718.db2.gz LHRCACVUEYRCSI-ZDUSSCGKSA-N 0 0 328.390 0.830 10 0 ECAERN NC(=O)c1ccc([C@H]2CNc3ccccc3N2S(N)(=O)=O)cc1 ZINC000616692472 439820765 /nfs/dbraw/zinc/82/07/65/439820765.db2.gz SCADPAHXRXREOO-CQSZACIVSA-N 0 0 332.385 0.962 10 0 ECAERN CC(=O)Nc1ccccc1CC(=O)N[C@@H]1C[C@H](O)[C@H]1n1cccn1 ZINC000616775679 439822312 /nfs/dbraw/zinc/82/23/12/439822312.db2.gz UZIVJYILKSAMCQ-VYDXJSESSA-N 0 0 328.372 0.875 10 0 ECAERN COCCN(Cc1ccccn1)C(=O)[C@@H]1Cn2c(C)nnc2CN1C ZINC000644322939 440526885 /nfs/dbraw/zinc/52/68/85/440526885.db2.gz KQRVABAZFHNLSB-HNNXBMFYSA-N 0 0 344.419 0.471 10 0 ECAERN CN(Cc1cc(Cl)cn1C)C(=O)C[C@H]1CS(=O)(=O)CCN1C ZINC000644386960 440562308 /nfs/dbraw/zinc/56/23/08/440562308.db2.gz VPOKWRTVORIORE-ZDUSSCGKSA-N 0 0 347.868 0.756 10 0 ECAERN O=C(CN1CCCC[C@@H](O)C1=O)N1CCC(c2ccncn2)CC1 ZINC000644498407 440625819 /nfs/dbraw/zinc/62/58/19/440625819.db2.gz JOLPQZBGBUBVPV-OAHLLOKOSA-N 0 0 332.404 0.556 10 0 ECAERN CNC(=O)Cn1cc(NC[C@@H]2CCCO[C@H]2c2ccnn2C)cn1 ZINC000657343647 440999409 /nfs/dbraw/zinc/99/94/09/440999409.db2.gz OTVHJDFLFXADQN-BLLLJJGKSA-N 0 0 332.408 0.942 10 0 ECAERN COC(C)(C)CNC(=O)N1CCN(c2ccc3nncn3n2)CC1 ZINC000173239354 320517910 /nfs/dbraw/zinc/51/79/10/320517910.db2.gz ZDDOXVQWDLNRNF-UHFFFAOYSA-N 0 0 333.396 0.381 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)N[C@@H]2CCN(C(C)C)C2=O)CC1 ZINC000181768280 320527624 /nfs/dbraw/zinc/52/76/24/320527624.db2.gz DWBWRUWOIQNCTA-ZIAGYGMSSA-N 0 0 326.441 0.094 10 0 ECAERN CCCN(C(=O)c1cnc2c(c1)ncn2C)[C@H]1CC(=O)N(C)C1=O ZINC000328672049 320726227 /nfs/dbraw/zinc/72/62/27/320726227.db2.gz HUUSSDLCKZOXRA-LBPRGKRZSA-N 0 0 329.360 0.578 10 0 ECAERN CC(C)n1nccc1[C@H]1OCC[C@@H]1NS(=O)(=O)c1cnnn1C ZINC000328938663 320743266 /nfs/dbraw/zinc/74/32/66/320743266.db2.gz GTGGSFSPRZRFLQ-GWCFXTLKSA-N 0 0 340.409 0.401 10 0 ECAERN C[C@@H]1CN(c2ccccn2)C[C@H]1C(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000329022566 320748596 /nfs/dbraw/zinc/74/85/96/320748596.db2.gz MQCAHYCBTRQOSA-JHJVBQTASA-N 0 0 343.387 0.757 10 0 ECAERN O=C(c1cn([C@H]2CCOC2)nn1)N1CCC[C@@](O)(C(F)(F)F)C1 ZINC000330051355 320801991 /nfs/dbraw/zinc/80/19/91/320801991.db2.gz NIGNSKOPTWKVJB-CABZTGNLSA-N 0 0 334.298 0.769 10 0 ECAERN COCCn1cc2c(n1)[C@H](NS(=O)(=O)c1cnnn1C)CCC2 ZINC000330124974 320805834 /nfs/dbraw/zinc/80/58/34/320805834.db2.gz CNPWAIYXXAPYAV-LLVKDONJSA-N 0 0 340.409 0.014 10 0 ECAERN O=C1Cc2cc(S(=O)(=O)N3CC(O)(C4CC4)C3)cc3c2N1CCC3 ZINC000330145784 320807358 /nfs/dbraw/zinc/80/73/58/320807358.db2.gz LFYGAAFEQFTXSR-UHFFFAOYSA-N 0 0 348.424 0.667 10 0 ECAERN CC(C)c1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1cnnn1C ZINC000330171326 320808334 /nfs/dbraw/zinc/80/83/34/320808334.db2.gz XIPULAPGPBNTGN-VIFPVBQESA-N 0 0 325.398 0.343 10 0 ECAERN CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)N1CC[C@@H](C)[C@H](O)C1 ZINC000330185304 320809768 /nfs/dbraw/zinc/80/97/68/320809768.db2.gz JAIIDOCDGAANGH-BPLDGKMQSA-N 0 0 332.466 0.810 10 0 ECAERN O[C@@H]1CCC[C@@H]1[C@@H]1COCCN1Cc1nnn(CC(F)(F)F)n1 ZINC000345760413 321199828 /nfs/dbraw/zinc/19/98/28/321199828.db2.gz LPUXCZSKIZKVCY-OUAUKWLOSA-N 0 0 335.330 0.597 10 0 ECAERN O=C(N[C@H]1CCC(=O)N[C@@H]1[C@H]1CCCO1)c1cn2cccnc2n1 ZINC000568033058 322611284 /nfs/dbraw/zinc/61/12/84/322611284.db2.gz WHKKTXSQKPVZGE-SUHUHFCYSA-N 0 0 329.360 0.285 10 0 ECAERN COc1cccc([C@H](C)CC(=O)NC[C@H](O)CN2CCOCC2)c1 ZINC000132445865 533765748 /nfs/dbraw/zinc/76/57/48/533765748.db2.gz NNALUIJMWPVUAQ-ZBFHGGJFSA-N 0 0 336.432 0.998 10 0 ECAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)N[C@@H](C)C(=O)N(C)C)CCO2)n1 ZINC000171901613 534113189 /nfs/dbraw/zinc/11/31/89/534113189.db2.gz DNZUVQXPDRNTRG-KBPBESRZSA-N 0 0 337.424 0.387 10 0 ECAERN O=C(CCNC(=O)N1CC(NC(=O)C2CC2)C1)Nc1ccccc1 ZINC000187099782 534422442 /nfs/dbraw/zinc/42/24/42/534422442.db2.gz GQAADAYSHJAQNY-UHFFFAOYSA-N 0 0 330.388 0.935 10 0 ECAERN NC(=O)[C@H]1COCCN1C(=O)c1ccn(-c2ccc(F)cc2F)n1 ZINC000185005517 534461311 /nfs/dbraw/zinc/46/13/11/534461311.db2.gz UUWCFJBWJZZXSR-CYBMUJFWSA-N 0 0 336.298 0.477 10 0 ECAERN NC(=O)c1cccc(CCNC(=O)N[C@H]2CCc3ncnn3C2)c1 ZINC000171870398 534493464 /nfs/dbraw/zinc/49/34/64/534493464.db2.gz JEXKXZCMEGBCBG-ZDUSSCGKSA-N 0 0 328.376 0.234 10 0 ECAERN O=C(CN1CCC[C@H](n2cncn2)C1)NCc1ccc2c(c1)OCO2 ZINC000171704187 534534867 /nfs/dbraw/zinc/53/48/67/534534867.db2.gz GDPJMMRSVCQXJB-AWEZNQCLSA-N 0 0 343.387 0.960 10 0 ECAERN O=C(NC[C@H](O)CN1CCOCC1)c1cccc(OC(F)F)c1 ZINC000154109115 534625590 /nfs/dbraw/zinc/62/55/90/534625590.db2.gz HASDOUMLMWBLCH-LBPRGKRZSA-N 0 0 330.331 0.711 10 0 ECAERN Cc1ncc(CN2CCN(C(=O)Nc3nccn(C)c3=O)CC2)s1 ZINC000183878609 534735144 /nfs/dbraw/zinc/73/51/44/534735144.db2.gz KNYJVWYLJAVJEL-UHFFFAOYSA-N 0 0 348.432 0.895 10 0 ECAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)N[C@H]3CCN(C)C3=O)C2)n1 ZINC000163866001 534886447 /nfs/dbraw/zinc/88/64/47/534886447.db2.gz ZQLJFZHADFWMDA-KBPBESRZSA-N 0 0 334.424 0.547 10 0 ECAERN CC(=O)N(CCc1ccccc1)CC(=O)N1CC(NC(=O)C2CC2)C1 ZINC000189364420 526486932 /nfs/dbraw/zinc/48/69/32/526486932.db2.gz WTEGTULSCZBJJP-UHFFFAOYSA-N 0 0 343.427 0.815 10 0 ECAERN CC(C)(C)[C@H](NC(=O)[C@H]1CNC(=O)C1)c1nc(-c2nc[nH]n2)no1 ZINC000154649062 526706467 /nfs/dbraw/zinc/70/64/67/526706467.db2.gz HLSKRPNERXCFPS-VXNVDRBHSA-N 0 0 333.352 0.194 10 0 ECAERN CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CC(NC(C)=O)C1 ZINC000190488837 526893770 /nfs/dbraw/zinc/89/37/70/526893770.db2.gz YFVYFTSUWIVHFJ-QGZVFWFLSA-N 0 0 342.399 0.562 10 0 ECAERN CC(C)NS(=O)(=O)CCNC(=O)N1CCC[C@@H]1c1cnn(C)c1 ZINC000171360177 527737514 /nfs/dbraw/zinc/73/75/14/527737514.db2.gz NVEUBSMGQRYCNZ-CYBMUJFWSA-N 0 0 343.453 0.594 10 0 ECAERN CCCC(=O)N[C@H]1CCCN(C(=O)CNC(=O)c2ccccn2)C1 ZINC000172534739 527949885 /nfs/dbraw/zinc/94/98/85/527949885.db2.gz OZIBHINBAPNSLC-ZDUSSCGKSA-N 0 0 332.404 0.719 10 0 ECAERN CCOCCS(=O)(=O)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000178696697 528850520 /nfs/dbraw/zinc/85/05/20/528850520.db2.gz OPTQADAPRBKKIP-MRXNPFEDSA-N 0 0 342.461 0.704 10 0 ECAERN CC[C@H](C)[C@H](NC(=O)CN1CCC[C@H](n2cncn2)C1)C(=O)OC ZINC000171616963 529251864 /nfs/dbraw/zinc/25/18/64/529251864.db2.gz XVHAWHJPGGTRRM-YDHLFZDLSA-N 0 0 337.424 0.619 10 0 ECAERN CC[C@@H](C)NC(=O)CCNC(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000171903193 529359101 /nfs/dbraw/zinc/35/91/01/529359101.db2.gz JSOVFHLVLYVJSM-ZIAGYGMSSA-N 0 0 337.424 0.598 10 0 ECAERN CC(=O)c1ccc(S(=O)(=O)N(C)C[C@H]2CN(C)CCO2)cc1 ZINC000074775135 545686673 /nfs/dbraw/zinc/68/66/73/545686673.db2.gz UIAHMVNBUKISRV-CQSZACIVSA-N 0 0 326.418 0.840 10 0 ECAERN Cn1cc(CN2CCCN(C(=O)CCCNC(=O)C3CC3)CC2)cn1 ZINC000105828092 545736610 /nfs/dbraw/zinc/73/66/10/545736610.db2.gz NDDMEHRBPYKKEX-UHFFFAOYSA-N 0 0 347.463 0.761 10 0 ECAERN CCOCCN1CCN([C@@H](C)C(=O)NC(=O)NC(C)C)C[C@@H]1C ZINC000105835102 545739187 /nfs/dbraw/zinc/73/91/87/545739187.db2.gz XKVIUXQHUHDGSF-KBPBESRZSA-N 0 0 328.457 0.652 10 0 ECAERN COc1ccc(C[C@H](C)C(=O)NC[C@H](O)CN2CCOCC2)cc1 ZINC000133100134 545795437 /nfs/dbraw/zinc/79/54/37/545795437.db2.gz HRYCRUOBJDLOSG-HOCLYGCPSA-N 0 0 336.432 0.683 10 0 ECAERN CS(=O)(=O)N1CCC[C@@H]1C(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000177987996 545877055 /nfs/dbraw/zinc/87/70/55/545877055.db2.gz QNMRLJGYLXHRCW-UMVBOHGHSA-N 0 0 330.450 0.564 10 0 ECAERN CNC(=O)[C@H](NC(=O)N[C@H]1CCN(c2ncccc2F)C1)C(C)C ZINC000178439345 545878666 /nfs/dbraw/zinc/87/86/66/545878666.db2.gz RSPAFHYWDBDVBB-WCQYABFASA-N 0 0 337.399 0.869 10 0 ECAERN O=S(=O)(N[C@H]1CCOC[C@H]1O)c1ccc(Br)s1 ZINC000625597252 547164338 /nfs/dbraw/zinc/16/43/38/547164338.db2.gz NMZGZUAVRWRGDF-NKWVEPMBSA-N 0 0 342.236 0.939 10 0 ECAERN O=S(=O)(c1ccccc1F)N1CC[C@@](O)(Cn2ccnn2)C1 ZINC000671430831 548146598 /nfs/dbraw/zinc/14/65/98/548146598.db2.gz VNWKLSQYNSQHGW-CYBMUJFWSA-N 0 0 326.353 0.243 10 0 ECAERN CCNS(=O)(=O)c1cnn2c1CN(C(=O)OC(C)(C)C)CC2 ZINC000725272442 549730181 /nfs/dbraw/zinc/73/01/81/549730181.db2.gz FNSYAWIBBQJMDV-UHFFFAOYSA-N 0 0 330.410 0.932 10 0 ECAERN O=c1[nH]c(Nc2ccccc2)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1 ZINC000003776905 581099537 /nfs/dbraw/zinc/09/95/37/581099537.db2.gz WGYVNLWYYLACQQ-QJPTWQEYSA-N 0 0 343.343 0.504 10 0 ECAERN Cc1cnn([C@H]2[C@H](O)C[C@@H]2NC(=O)c2cnn(C)c2-n2cccc2)c1 ZINC000888077270 586245927 /nfs/dbraw/zinc/24/59/27/586245927.db2.gz YMBGXFRQLSZJHG-RRFJBIMHSA-N 0 0 340.387 0.820 10 0 ECAERN Cn1ccnc1[C@@H]1NC(=O)CC[C@H]1NC(=O)c1ccc2c(c1)OCO2 ZINC000888076899 586246134 /nfs/dbraw/zinc/24/61/34/586246134.db2.gz WMPVAKPXMLHNSA-IAQYHMDHSA-N 0 0 342.355 0.899 10 0 ECAERN CCn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2cnn3ccncc23)cn1 ZINC000888093859 586348476 /nfs/dbraw/zinc/34/84/76/586348476.db2.gz ZXDUFYTZHBCQDI-DZGCQCFKSA-N 0 0 342.359 0.522 10 0 ECAERN COCc1cncc(C(=O)N[C@H]2COC[C@H]2Oc2cnn(C)c2)c1 ZINC000888093821 586348606 /nfs/dbraw/zinc/34/86/06/586348606.db2.gz VRHCRZWRZKFSGO-LSDHHAIUSA-N 0 0 332.360 0.538 10 0 ECAERN O=C(c1cn([C@@H]2COC[C@H]2O)nn1)N(Cc1ccncc1)C1CC1 ZINC000888093858 586348659 /nfs/dbraw/zinc/34/86/59/586348659.db2.gz ZTJZPXPTLCAIDW-HUUCEWRRSA-N 0 0 329.360 0.410 10 0 ECAERN COc1ccc(F)cc1C(=O)NCc1nc([C@@H]2COCCN2C)n[nH]1 ZINC000888095058 586348931 /nfs/dbraw/zinc/34/89/31/586348931.db2.gz MGTUONJGMKIYRP-LBPRGKRZSA-N 0 0 349.366 0.886 10 0 ECAERN COc1ccc(F)cc1C(=O)NCc1nc([C@H]2COCCN2C)n[nH]1 ZINC000888095057 586349188 /nfs/dbraw/zinc/34/91/88/586349188.db2.gz MGTUONJGMKIYRP-GFCCVEGCSA-N 0 0 349.366 0.886 10 0 ECAERN Cc1nonc1CN1CCC[C@]2(CC(=O)NN2C(=O)c2ccon2)C1 ZINC000888103382 586350594 /nfs/dbraw/zinc/35/05/94/586350594.db2.gz GBRABQSFOYZRFJ-HNNXBMFYSA-N 0 0 346.347 0.278 10 0 ECAERN O=C(NCCN=S1(=O)CCCC1)c1c[nH]nc1[C@@H]1CCOC1 ZINC000898425852 586422586 /nfs/dbraw/zinc/42/25/86/586422586.db2.gz DFMNHSDGMFJILE-LLVKDONJSA-N 0 0 326.422 0.905 10 0 ECAERN CCc1nnc2n1C[C@@H](NC(=O)CCN1C(=O)C(C)=C(C)C1=O)CC2 ZINC000900479139 586634727 /nfs/dbraw/zinc/63/47/27/586634727.db2.gz SBUOYGGCTQVHFD-LBPRGKRZSA-N 0 0 345.403 0.367 10 0 ECAERN C/C=C/[C@H](O)C(=O)N1CCN(c2nc(C)nc3c2cnn3C)CC1 ZINC000900711834 586658438 /nfs/dbraw/zinc/65/84/38/586658438.db2.gz QODBZXWJLHQISS-IHVVCDCBSA-N 0 0 330.392 0.257 10 0 ECAERN C/C=C/[C@H](O)C(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1noc(C)n1 ZINC000907574321 586738525 /nfs/dbraw/zinc/73/85/25/586738525.db2.gz ARLKTDXRDCWYKO-DFIDTIBPSA-N 0 0 326.372 0.686 10 0 ECAERN C[C@@H](NC(=O)CCc1nc(=O)c2c3c(sc2[nH]1)CCCC3)C(N)=O ZINC000011720683 589697495 /nfs/dbraw/zinc/69/74/95/589697495.db2.gz UFQWSMOIOHVOMW-MRVPVSSYSA-N 0 0 348.428 0.786 10 0 ECAERN C[C@@H]1CN(Cn2nc3n(c2=S)CCCCC3)C[C@H](C(N)=O)O1 ZINC000120305065 590117102 /nfs/dbraw/zinc/11/71/02/590117102.db2.gz AFLUPSKZWHCBAB-GHMZBOCLSA-N 0 0 325.438 0.673 10 0 ECAERN CCOC(CN1CCN(c2cc(C)nc3ncnn32)CC1)OCC ZINC000124159576 590129187 /nfs/dbraw/zinc/12/91/87/590129187.db2.gz JVIGZRCGPIOBHI-UHFFFAOYSA-N 0 0 334.424 0.954 10 0 ECAERN CN1CCO[C@@H](CNS(=O)(=O)c2ccc3c(c2)N(C)CCC3)C1 ZINC000124795882 590217848 /nfs/dbraw/zinc/21/78/48/590217848.db2.gz DXIVMNGTNZSQEI-AWEZNQCLSA-N 0 0 339.461 0.678 10 0 ECAERN Cc1ccc(C[C@H](C)NC(=O)C[C@@H]2CS(=O)(=O)CCN2)s1 ZINC000126791655 590486282 /nfs/dbraw/zinc/48/62/82/590486282.db2.gz BCGRGGBKPKCSSX-CMPLNLGQSA-N 0 0 330.475 0.880 10 0 ECAERN Cc1csc([C@@H]2CN(Cn3nnc4c(cnn4C)c3=O)CCO2)n1 ZINC000132520457 590648753 /nfs/dbraw/zinc/64/87/53/590648753.db2.gz KSCFLDFLQJBCAQ-NSHDSACASA-N 0 0 347.404 0.321 10 0 ECAERN COc1ccccc1C/C(C)=C/C(=O)NC[C@H](O)CN1CCOCC1 ZINC000133073823 590676788 /nfs/dbraw/zinc/67/67/88/590676788.db2.gz HGPGXMSGVWROFR-VMEIHUARSA-N 0 0 348.443 0.993 10 0 ECAERN O=C(c1ccnc(OC2CCC2)c1)N1CC[C@](O)(Cn2ccnn2)C1 ZINC000886038271 590788265 /nfs/dbraw/zinc/78/82/65/590788265.db2.gz XFIUUBYHARZEOC-QGZVFWFLSA-N 0 0 343.387 0.882 10 0 ECAERN Cn1ccnc1[C@@H]1[C@@H](CNS(=O)(=O)C2CC2)CCC(=O)N1C ZINC000886085740 590793349 /nfs/dbraw/zinc/79/33/49/590793349.db2.gz MSNHQFNQNKGVJO-MFKMUULPSA-N 0 0 326.422 0.411 10 0 ECAERN CO[C@H]1CCCCN(CC(=O)N2CC(=O)Nc3cnccc32)C1=O ZINC000886089147 590793795 /nfs/dbraw/zinc/79/37/95/590793795.db2.gz ZUXXIIXKVXENAA-ZDUSSCGKSA-N 0 0 332.360 0.394 10 0 ECAERN CO[C@@H]1CCCCN(CC(=O)N(C)CC2(O)CCOCC2)C1=O ZINC000886088257 590793833 /nfs/dbraw/zinc/79/38/33/590793833.db2.gz OJRJJNMYZDPGPH-CYBMUJFWSA-N 0 0 328.409 0.014 10 0 ECAERN O=S1(=O)C[C@@H](O)[C@H](NCc2cc(Br)ccc2F)C1 ZINC000041069396 611430149 /nfs/dbraw/zinc/43/01/49/611430149.db2.gz ZKPKGMUTDOBOOP-GHMZBOCLSA-N 0 0 338.198 0.836 10 0 ECAERN CCCn1cc(NC(=O)C(=O)N2CC[C@H](c3cnn(C)c3)C2)cn1 ZINC000157124874 611446030 /nfs/dbraw/zinc/44/60/30/611446030.db2.gz CDQIKPIQRDYPNV-LBPRGKRZSA-N 0 0 330.392 0.981 10 0 ECAERN CN1CCN(C(=O)[C@@H]2CCCN2C(=O)/C=C/c2ccncc2)CC1 ZINC000071903956 608676876 /nfs/dbraw/zinc/67/68/76/608676876.db2.gz JFBTXUQFVTWSJY-APHBUQMISA-N 0 0 328.416 0.860 10 0 ECAERN CN(C1CCOCC1)S(=O)(=O)NCC1CCC2(CC1)OCCO2 ZINC000072307448 608800323 /nfs/dbraw/zinc/80/03/23/608800323.db2.gz WFPGRJQNBACLRW-UHFFFAOYSA-N 0 0 348.465 0.865 10 0 ECAERN COc1ccc(-n2cc(C(=O)NCC(=O)N(C)C)ccc2=O)cc1 ZINC000223310428 608878226 /nfs/dbraw/zinc/87/82/26/608878226.db2.gz XIWLQXCBUZULBZ-UHFFFAOYSA-N 0 0 329.356 0.664 10 0 ECAERN Cc1noc([C@H](C)N2CCN(CCS(=O)(=O)C(C)C)CC2)n1 ZINC000178223100 609000760 /nfs/dbraw/zinc/00/07/60/609000760.db2.gz UVVNZNCXQDQDLH-LBPRGKRZSA-N 0 0 330.454 0.880 10 0 ECAERN CC(C)c1nn(C)c(N2CCOCC2)c1CNCC(=O)NCC1CC1 ZINC000180396019 609093395 /nfs/dbraw/zinc/09/33/95/609093395.db2.gz SMXXABOJFSQADD-UHFFFAOYSA-N 0 0 349.479 0.996 10 0 ECAERN CC(=O)N1Cc2cccnc2[C@@H](C(=O)NCCCn2ccnc2)C1 ZINC000222651864 609103893 /nfs/dbraw/zinc/10/38/93/609103893.db2.gz STPWKGJEHVYMPM-HNNXBMFYSA-N 0 0 327.388 0.930 10 0 ECAERN COc1cccc(O)c1C(=O)N[C@@H]1CC(=O)N(C)[C@H]1c1ccnn1C ZINC000908105243 609644321 /nfs/dbraw/zinc/64/43/21/609644321.db2.gz DFXJUJNPCFXVJF-QLJPJBMISA-N 0 0 344.371 0.836 10 0 ECAERN CN(C)CCn1nccc1C(=O)N[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000908361423 609651765 /nfs/dbraw/zinc/65/17/65/609651765.db2.gz LQCHOZDPNAMNHA-TZMCWYRMSA-N 0 0 342.465 0.530 10 0 ECAERN CC(C)CC(=O)N1CCC[C@@H](c2nc3c([nH]2)n(C)c(=O)n(C)c3=O)C1 ZINC000222504961 609702062 /nfs/dbraw/zinc/70/20/62/609702062.db2.gz YDEPEZGMCXWOFF-LLVKDONJSA-N 0 0 347.419 0.712 10 0 ECAERN CN(C)C(=O)CNC(=O)[C@@H]1CCC(=O)N1Cc1c[nH]c2ccccc12 ZINC000223378803 609710197 /nfs/dbraw/zinc/71/01/97/609710197.db2.gz JFISMNWWXGJUBE-HNNXBMFYSA-N 0 0 342.399 0.863 10 0 ECAERN CC(C)[C@H]1Nc2ncnc(NCC(=O)N3CCOCC3)c2NC1=O ZINC000223987592 609716282 /nfs/dbraw/zinc/71/62/82/609716282.db2.gz NIRZRKAXEIYZBZ-LLVKDONJSA-N 0 0 334.380 0.136 10 0 ECAERN O=S(=O)(c1c(Cl)nc2sccn21)N1CCOC[C@H]1CO ZINC000168072710 609735875 /nfs/dbraw/zinc/73/58/75/609735875.db2.gz NPBSBJDBFMFOPL-SSDOTTSWSA-N 0 0 337.810 0.431 10 0 ECAERN Cc1nn(C)c(C)c1S(=O)(=O)N1CC[C@H](Cc2nncn2C)C1 ZINC000169784094 609746194 /nfs/dbraw/zinc/74/61/94/609746194.db2.gz FLNBVDOGEVIZAL-GFCCVEGCSA-N 0 0 338.437 0.419 10 0 ECAERN CC(=O)N1CCC[C@@H]1c1nc(C2CN(S(=O)(=O)C(C)C)C2)no1 ZINC000169792909 609747631 /nfs/dbraw/zinc/74/76/31/609747631.db2.gz NUBOKIZTGIABNW-GFCCVEGCSA-N 0 0 342.421 0.890 10 0 ECAERN COCCn1cnn(CN2CC[C@H](N3CCOCC3)C2)c1=S ZINC000172961766 609777045 /nfs/dbraw/zinc/77/70/45/609777045.db2.gz SURAZKZZXQZMSR-ZDUSSCGKSA-N 0 0 327.454 0.424 10 0 ECAERN C[C@H](O)C1CCN(CN2C(=O)C[C@@H](Cc3cnn(C)c3)C2=O)CC1 ZINC000173896617 609784952 /nfs/dbraw/zinc/78/49/52/609784952.db2.gz IURIQIQUZJPQRJ-SWLSCSKDSA-N 0 0 334.420 0.388 10 0 ECAERN CN(C)c1ccc(N2CCC(NC(=O)[C@@H]3CNC(=O)C3)CC2)cc1 ZINC000174196855 609788343 /nfs/dbraw/zinc/78/83/43/609788343.db2.gz REVZYMWEEYGTDK-ZDUSSCGKSA-N 0 0 330.432 0.974 10 0 ECAERN C[C@@H](O)CN1CCN(C(=O)c2cnn(-c3ccc(F)cc3)n2)C[C@H]1C ZINC000174347717 609790595 /nfs/dbraw/zinc/79/05/95/609790595.db2.gz CBNLYIKZWXMOMS-CHWSQXEVSA-N 0 0 347.394 0.934 10 0 ECAERN COC[C@]1(C(N)=O)CCCN1C(=O)CN1CSCCSC1 ZINC000911354511 609854704 /nfs/dbraw/zinc/85/47/04/609854704.db2.gz XXORBEFHZHSTGW-ZDUSSCGKSA-N 0 0 333.479 0.176 10 0 ECAERN Cc1nnc([C@]23CCC[C@H]2CN(c2cc(=O)n(C)c(=O)n2C)C3)o1 ZINC000912383959 609950299 /nfs/dbraw/zinc/95/02/99/609950299.db2.gz WBTWCQHTYCARNG-ZBEGNZNMSA-N 0 0 331.376 0.334 10 0 ECAERN COc1ccc(C)cc1N1C[C@H](C(=O)N2CCOC[C@H]2CO)CC1=O ZINC000912426019 609957963 /nfs/dbraw/zinc/95/79/63/609957963.db2.gz AIUAZPKIZLYRRQ-ZIAGYGMSSA-N 0 0 348.399 0.576 10 0 ECAERN C[C@H](NC(=O)C(=O)Nc1ccc(-n2ccnc2)nc1)[C@@H]1CCCO1 ZINC000071065622 610329129 /nfs/dbraw/zinc/32/91/29/610329129.db2.gz ZXAKDIUDVLBAKT-AAEUAGOBSA-N 0 0 329.360 0.890 10 0 ECAERN CCOC(=O)[C@@]1(C)CC(=O)N(CN2CC[C@H](c3cnn(C)c3)C2)C1 ZINC000184872778 610907929 /nfs/dbraw/zinc/90/79/29/610907929.db2.gz QIPPYOFNAMJIEO-GUYCJALGSA-N 0 0 334.420 0.969 10 0 ECAERN CC(=O)N[C@H]1CCCN(CN2C(=O)N[C@@H](Cc3ccccc3)C2=O)C1 ZINC000077444164 612066649 /nfs/dbraw/zinc/06/66/49/612066649.db2.gz HNXBNXPGVPHXQS-HOTGVXAUSA-N 0 0 344.415 0.708 10 0 ECAERN CC[C@]1(c2cnn(C)c2)NC(=O)N(CN2C[C@H](C)O[C@@H](C)C2)C1=O ZINC000245685771 612713056 /nfs/dbraw/zinc/71/30/56/612713056.db2.gz IIWDTDCTXAKFPT-MQIPJXDCSA-N 0 0 335.408 0.644 10 0 ECAERN CC[C@@H]1CN(CN2C(=O)N[C@@](C)(C3CC3)C2=O)CC[N@@H+]1CCOC ZINC000247136958 612824901 /nfs/dbraw/zinc/82/49/01/612824901.db2.gz PBIQCLJFMZGTCP-PBHICJAKSA-N 0 0 338.452 0.707 10 0 ECAERN CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C[C@H]2CCOC2)C1 ZINC000716990221 734051670 /nfs/dbraw/zinc/05/16/70/734051670.db2.gz BECQKYQEZWYEKF-FRRDWIJNSA-N 0 0 328.409 0.757 10 0 ECAERN CN1CCN(C(=O)C2(O)CCOCC2)C[C@H]1c1nc(C2CC2)no1 ZINC000329154309 740440494 /nfs/dbraw/zinc/44/04/94/740440494.db2.gz BICLVEDLZGFOKU-LBPRGKRZSA-N 0 0 336.392 0.304 10 0 ECAERN C[C@@H](O)[C@H](C)NS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O ZINC000344893774 755583248 /nfs/dbraw/zinc/58/32/48/755583248.db2.gz CPBPBFDLBOGUFC-WDEREUQCSA-N 0 0 340.401 0.361 10 0 ECAERN Cc1ccc2nnc(CNC(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)n2c1 ZINC000911074131 760198207 /nfs/dbraw/zinc/19/82/07/760198207.db2.gz AFRWGIMRAPBOII-NEPJUHHUSA-N 0 0 331.376 0.290 10 0 ECAERN CN1CCO[C@@H](C(=O)N2CC[C@](O)(Cc3ccc(F)cc3)C2)C1=O ZINC000911192317 760233054 /nfs/dbraw/zinc/23/30/54/760233054.db2.gz WPMQNUOLZTWEEE-PBHICJAKSA-N 0 0 336.363 0.189 10 0 ECAERN Cc1ccc(N2C[C@@H]3COC[C@@H](CC(=O)N4CCOCC4)[C@@H]3C2)nn1 ZINC000097953551 219064523 /nfs/dbraw/zinc/06/45/23/219064523.db2.gz XULHGWDYPLQVSX-OAGGEKHMSA-N 0 0 346.431 0.733 10 0 ECAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)NCCCN1CCCC1=O ZINC000150965461 529749856 /nfs/dbraw/zinc/74/98/56/529749856.db2.gz IIFPVWROTMADKA-LBPRGKRZSA-N 0 0 334.424 0.987 10 0 ECAERN CCc1nccn1[C@H]1CCCN(C(=O)NCCS(=O)(=O)NC)C1 ZINC000188092853 529761190 /nfs/dbraw/zinc/76/11/90/529761190.db2.gz BTMZNEDMYSHDEN-LBPRGKRZSA-N 0 0 343.453 0.341 10 0 ECAERN CN(CC(=O)N1CCC[C@H]1C[C@H](O)c1ccco1)S(C)(=O)=O ZINC000154078200 529827794 /nfs/dbraw/zinc/82/77/94/529827794.db2.gz YCDCVKLFRIOCON-RYUDHWBXSA-N 0 0 330.406 0.586 10 0 ECAERN CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1cccc2cccnc21 ZINC000178396420 529923068 /nfs/dbraw/zinc/92/30/68/529923068.db2.gz SVVOQWZCWPMNKB-CYBMUJFWSA-N 0 0 326.356 0.910 10 0 ECAERN CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1ccc2c(c1)CN(C)C2 ZINC000166706148 529923205 /nfs/dbraw/zinc/92/32/05/529923205.db2.gz UIKPRARRSKUUEZ-CQSZACIVSA-N 0 0 330.388 0.308 10 0 ECAERN CCn1c(=O)[nH]nc1[C@@H]1CCCN(C(=O)c2cnn3cc[nH]c23)C1 ZINC000067982596 215267102 /nfs/dbraw/zinc/26/71/02/215267102.db2.gz KRGJNUAPYQZBHP-SNVBAGLBSA-N 0 0 329.364 0.587 10 0 ECAERN C[C@H]1CN(C(=O)Nc2nc3ccccn3n2)C[C@@H]1N1CCOCC1 ZINC000184428907 235395618 /nfs/dbraw/zinc/39/56/18/235395618.db2.gz FZSXEJMXORLEDW-STQMWFEESA-N 0 0 330.392 0.914 10 0 ECAERN CCn1nc(C)c(NC(=O)C(=O)N2CC(NC(=O)C3CC3)C2)c1C ZINC000187986565 236371386 /nfs/dbraw/zinc/37/13/86/236371386.db2.gz NAWXMCJGDJBWGV-UHFFFAOYSA-N 0 0 333.392 0.195 10 0 ECAERN C[C@H]1OCCC[C@H]1C(=O)NCCNS(=O)(=O)c1cccs1 ZINC000189642584 237100531 /nfs/dbraw/zinc/10/05/31/237100531.db2.gz QPLQWIYXBVPNJF-GHMZBOCLSA-N 0 0 332.447 0.958 10 0 ECAERN CC(=O)N1CCC2(C[C@H](C(=O)[O-])[N@H+](Cc3cccnc3N)C2)CC1 ZINC000072432845 216226999 /nfs/dbraw/zinc/22/69/99/216226999.db2.gz MKUVMBMHLJUINX-CQSZACIVSA-N 0 0 332.404 0.951 10 0 ECAERN O=C([C@H]1CC(c2cccnc2)=NO1)N1CCO[C@H](Cn2cccn2)C1 ZINC000191589113 239201060 /nfs/dbraw/zinc/20/10/60/239201060.db2.gz FVAZPDYKNGKMGK-GOEBONIOSA-N 0 0 341.371 0.699 10 0 ECAERN CCn1cc([C@@H]2CN(C(=O)CCCS(C)(=O)=O)CCO2)cn1 ZINC000191788204 239296583 /nfs/dbraw/zinc/29/65/83/239296583.db2.gz OODRRCVDZUMZMG-ZDUSSCGKSA-N 0 0 329.422 0.628 10 0 ECAERN COCCN1CCN(C(=O)C(=O)Nc2cc(C)cc(C)n2)C[C@@H]1C ZINC000193276998 240088926 /nfs/dbraw/zinc/08/89/26/240088926.db2.gz DKZGIMWQYQYIPO-AWEZNQCLSA-N 0 0 334.420 0.816 10 0 ECAERN CCCCOC[C@H](O)Cn1cnc2c1ncnc2N1CCOCC1 ZINC000193380856 240138053 /nfs/dbraw/zinc/13/80/53/240138053.db2.gz ATMUPDHZOMRXMX-CYBMUJFWSA-N 0 0 335.408 0.841 10 0 ECAERN CCCCOC[C@@H](O)Cn1c(=O)c(F)cn([C@@H]2CCCO2)c1=O ZINC000193385513 240141617 /nfs/dbraw/zinc/14/16/17/240141617.db2.gz AHZVXSQCDDHTHI-AAEUAGOBSA-N 0 0 330.356 0.636 10 0 ECAERN O=c1oc2cc(O[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)ccc2c2c1CCCC2 ZINC000254559009 244045091 /nfs/dbraw/zinc/04/50/91/244045091.db2.gz TUFBIYDHLYDRIV-SCNOPHJPSA-N 0 0 348.351 0.490 10 0 ECAERN CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)N1CCN(CCO)CC1 ZINC000078344665 217042144 /nfs/dbraw/zinc/04/21/44/217042144.db2.gz PMRGKJCVDFVLOU-DOTOQJQBSA-N 0 0 347.459 0.968 10 0 ECAERN COCCOCCC(=O)N1CCO[C@H](Cn2nc(C)cc2C)C1 ZINC000110902740 220077436 /nfs/dbraw/zinc/07/74/36/220077436.db2.gz FHLVGKJPVODYSO-HNNXBMFYSA-N 0 0 325.409 0.780 10 0 ECAERN O=C(Cn1c(=O)[nH]c2ccccc21)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111088624 220098378 /nfs/dbraw/zinc/09/83/78/220098378.db2.gz NUIJJERNHYXKPQ-CYBMUJFWSA-N 0 0 341.371 0.454 10 0 ECAERN Cn1ncc(C(=O)N2CCO[C@H](Cn3cccn3)C2)c1-n1cccc1 ZINC000111087127 220098702 /nfs/dbraw/zinc/09/87/02/220098702.db2.gz JNGLJYGSVMRHBG-AWEZNQCLSA-N 0 0 340.387 0.949 10 0 ECAERN Cn1cc(N2CC[C@H](N3CCCN(c4cccnn4)CC3)C2=O)cn1 ZINC000111227199 220115003 /nfs/dbraw/zinc/11/50/03/220115003.db2.gz YVFUNUMEKOQXTP-HNNXBMFYSA-N 0 0 341.419 0.528 10 0 ECAERN CCOCCS(=O)(=O)N1CCO[C@@H](Cn2nc(C)cc2C)C1 ZINC000111344901 220142072 /nfs/dbraw/zinc/14/20/72/220142072.db2.gz YNLGMGOOBHNLOY-CQSZACIVSA-N 0 0 331.438 0.567 10 0 ECAERN Cc1ccccc1C(=O)NCC(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000111650022 220174574 /nfs/dbraw/zinc/17/45/74/220174574.db2.gz OWKLCELPTZDNEL-HNNXBMFYSA-N 0 0 342.399 0.849 10 0 ECAERN CCOCCN1CCN(C(=O)NCc2ccc(C(N)=O)cc2)CC1 ZINC000111823458 220199326 /nfs/dbraw/zinc/19/93/26/220199326.db2.gz JCMSELTUUTTYIL-UHFFFAOYSA-N 0 0 334.420 0.649 10 0 ECAERN CCc1noc([C@H](C)N2CCN(C(=O)Cc3cnn(C)c3)CC2)n1 ZINC000112037125 220233433 /nfs/dbraw/zinc/23/34/33/220233433.db2.gz PBPFTXGFQRQUFI-LBPRGKRZSA-N 0 0 332.408 0.813 10 0 ECAERN CCc1noc([C@H](C)N2CCN(S(=O)(=O)CCOC)CC2)n1 ZINC000112093318 220242060 /nfs/dbraw/zinc/24/20/60/220242060.db2.gz VRUHMBQNTJPIRR-NSHDSACASA-N 0 0 332.426 0.287 10 0 ECAERN CNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCCn3nc(C)nc32)cc1 ZINC000081813142 217448412 /nfs/dbraw/zinc/44/84/12/217448412.db2.gz FUYAYPPZSYLVRJ-ZDUSSCGKSA-N 0 0 349.416 0.760 10 0 ECAERN COCCCNC(=O)c1ccc(N2C(=O)[C@@H](C)CS2(=O)=O)cc1 ZINC000012021033 211279737 /nfs/dbraw/zinc/27/97/37/211279737.db2.gz QYALCSHXHAPSGA-NSHDSACASA-N 0 0 340.401 0.765 10 0 ECAERN COCCNC(=O)c1ccc(N2C(=O)[C@H](C)CS2(=O)=O)cc1 ZINC000012021028 211279448 /nfs/dbraw/zinc/27/94/48/211279448.db2.gz BTHDIBMHQLZHPS-SNVBAGLBSA-N 0 0 326.374 0.375 10 0 ECAERN NC(=O)CN1CCC(C(=O)N2CC(Oc3ccccc3F)C2)CC1 ZINC000091625604 218034608 /nfs/dbraw/zinc/03/46/08/218034608.db2.gz CWOZCYIHGDURBC-UHFFFAOYSA-N 0 0 335.379 0.613 10 0 ECAERN COc1cccc2c1OCCCN(C(=O)CC[C@@H]1NC(=O)NC1=O)C2 ZINC000091644372 218037547 /nfs/dbraw/zinc/03/75/47/218037547.db2.gz WDWZDJMJIJHAMX-LBPRGKRZSA-N 0 0 347.371 0.795 10 0 ECAERN CSCc1nc(CNC(=O)C2CCN(CC(N)=O)CC2)cs1 ZINC000091664442 218043083 /nfs/dbraw/zinc/04/30/83/218043083.db2.gz HABJZWCVGRMULL-UHFFFAOYSA-N 0 0 342.490 0.820 10 0 ECAERN O=C(N[C@H]1CCc2ncnn2C1)c1cc(Cl)ccc1-n1cnnn1 ZINC000112655060 220365385 /nfs/dbraw/zinc/36/53/85/220365385.db2.gz YCCYTNCUQCRPDD-JTQLQIEISA-N 0 0 344.766 0.652 10 0 ECAERN CCS(=O)(=O)c1ccccc1C(=O)N[C@H]1CCc2ncnn2C1 ZINC000112658183 220366789 /nfs/dbraw/zinc/36/67/89/220366789.db2.gz RHLZSWFAEWPEHO-NSHDSACASA-N 0 0 334.401 0.817 10 0 ECAERN C[C@@H](CC(=O)N[C@@H]1CCc2ncnn2C1)NC(=O)c1ccccc1 ZINC000112663093 220368028 /nfs/dbraw/zinc/36/80/28/220368028.db2.gz ZXXBFBBQZYMOND-GXTWGEPZSA-N 0 0 327.388 0.918 10 0 ECAERN Cc1ccc(C(=O)NCC(=O)N[C@@H]2CCc3ncnn3C2)cc1C ZINC000112725223 220386832 /nfs/dbraw/zinc/38/68/32/220386832.db2.gz WZFPSJIRUHMBHU-CQSZACIVSA-N 0 0 327.388 0.756 10 0 ECAERN NC(=O)CCN(Cc1ccccc1)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000112741493 220392507 /nfs/dbraw/zinc/39/25/07/220392507.db2.gz DBGZXSCOPUTQKZ-AWEZNQCLSA-N 0 0 342.403 0.680 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)N[C@H](C)CS(=O)(=O)CC)CC2 ZINC000114968767 220795417 /nfs/dbraw/zinc/79/54/17/220795417.db2.gz YLAFXPXUHVKILJ-MNOVXSKESA-N 0 0 343.453 0.278 10 0 ECAERN CCCCCS(=O)(=O)CC(=O)N1CCN(CCOC)[C@@H](C)C1 ZINC000117284134 221044454 /nfs/dbraw/zinc/04/44/54/221044454.db2.gz NJMOMNSBHJXJOC-AWEZNQCLSA-N 0 0 334.482 0.771 10 0 ECAERN COCCN1CCN(C(=O)Cn2c(=O)cnc3ccccc32)C[C@@H]1C ZINC000117289831 221045877 /nfs/dbraw/zinc/04/58/77/221045877.db2.gz LQZIGUVKWKHQSW-AWEZNQCLSA-N 0 0 344.415 0.576 10 0 ECAERN COCCN1CCN(C(=O)c2cc(C)nc3c2c(=O)[nH]n3C)C[C@@H]1C ZINC000117291268 221046005 /nfs/dbraw/zinc/04/60/05/221046005.db2.gz NWRBPQIOLUJHMI-LBPRGKRZSA-N 0 0 347.419 0.363 10 0 ECAERN CC(C)CC(=O)N[C@H](C(=O)Nc1ccn(CCC(N)=O)n1)C(C)C ZINC000117701304 221083741 /nfs/dbraw/zinc/08/37/41/221083741.db2.gz XAIUNQUUVACMJX-HNNXBMFYSA-N 0 0 337.424 0.884 10 0 ECAERN Cn1ccnc1C[C@@H]1CCCN(C(=O)CCSc2nnnn2C)C1 ZINC000119557819 221346724 /nfs/dbraw/zinc/34/67/24/221346724.db2.gz SBDLJWALACNLET-LBPRGKRZSA-N 0 0 349.464 0.907 10 0 ECAERN Cc1cc(C(=O)N2C[C@@H]3OC[C@@H](CNc4ncccn4)[C@@H]3C2)on1 ZINC000253600286 257657970 /nfs/dbraw/zinc/65/79/70/257657970.db2.gz MLPGNIRNMZWGQC-DYEKYZERSA-N 0 0 329.360 0.972 10 0 ECAERN Cc1oncc1C(=O)N1CC[C@@H]2[C@@H](CO[C@@H]2CNS(C)(=O)=O)C1 ZINC000252002504 257660523 /nfs/dbraw/zinc/66/05/23/257660523.db2.gz MYYPUCVRHACFMP-NQBHXWOUSA-N 0 0 343.405 0.009 10 0 ECAERN Cc1nnc([C@@]23COC[C@@H]2CN(S(=O)(=O)c2cccnc2)C3)o1 ZINC000248046826 257666826 /nfs/dbraw/zinc/66/68/26/257666826.db2.gz VQSBTTAXFJAIIS-FZMZJTMJSA-N 0 0 336.373 0.362 10 0 ECAERN Cc1nnc(N2C[C@H]3COC[C@@]3(CNS(=O)(=O)C3CC3)C2)s1 ZINC000248037579 257667666 /nfs/dbraw/zinc/66/76/66/257667666.db2.gz RKCPIXJCHPPWEC-GXFFZTMASA-N 0 0 344.462 0.381 10 0 ECAERN CS(=O)(=O)N(CC(=O)N1CCCC1)Cc1cn2c(n1)CCCC2 ZINC000328617644 258036740 /nfs/dbraw/zinc/03/67/40/258036740.db2.gz CYPRBQMQWYYFOT-UHFFFAOYSA-N 0 0 340.449 0.603 10 0 ECAERN COc1ccc(C(=O)N2CCN3CCCC[C@@H]3C2)cc1-n1cnnn1 ZINC000180883026 533306450 /nfs/dbraw/zinc/30/64/50/533306450.db2.gz ODRPUTHZKMDTCX-CQSZACIVSA-N 0 0 342.403 0.981 10 0 ECAERN C[C@@H](C1CC1)n1nccc1NC(=O)C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000192098935 533377146 /nfs/dbraw/zinc/37/71/46/533377146.db2.gz XSFIZZBVDXUMMD-JTQLQIEISA-N 0 0 345.403 0.530 10 0 ECAERN C[C@@H](NC(=O)c1ccccc1N1CCC(=O)NC1=O)c1nc[nH]n1 ZINC000055308625 132194740 /nfs/dbraw/zinc/19/47/40/132194740.db2.gz VNZYGXDSRSNNBL-SECBINFHSA-N 0 0 328.332 0.742 10 0 ECAERN Cc1cc(O)cc(=O)n1CC(=O)N1CCO[C@H](c2nccs2)C1 ZINC000129619330 296662675 /nfs/dbraw/zinc/66/26/75/296662675.db2.gz JLXQKINEVLXDCI-LBPRGKRZSA-N 0 0 335.385 0.919 10 0 ECAERN CCCn1c(C)nnc1CN1CCN(c2ccc3nncn3n2)CC1 ZINC000156975782 296706290 /nfs/dbraw/zinc/70/62/90/296706290.db2.gz YFMIKSMOGXRCPU-UHFFFAOYSA-N 0 0 341.423 0.756 10 0 ECAERN CC1(C)NC(=O)N(CC(=O)N2CCC(Cn3cccn3)CC2)C1=O ZINC000126204047 164669971 /nfs/dbraw/zinc/66/99/71/164669971.db2.gz GISKOBSIKWDLBL-UHFFFAOYSA-N 0 0 333.392 0.452 10 0 ECAERN C[C@@H]1CN(C(=O)Nc2cnc(N(C)C)nc2)C[C@@H]1N1CCOCC1 ZINC000154897914 164768078 /nfs/dbraw/zinc/76/80/78/164768078.db2.gz YZIZAGZURLZEHU-OCCSQVGLSA-N 0 0 334.424 0.727 10 0 ECAERN CC(C)C(=O)NCCNC(=O)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000172519257 164843309 /nfs/dbraw/zinc/84/33/09/164843309.db2.gz LATUAUQGHJPCPW-LBPRGKRZSA-N 0 0 336.440 0.788 10 0 ECAERN O=C(c1cnn(-c2ccc(F)cc2)n1)N1CC[C@H](N2CCOCC2)C1 ZINC000172765095 164847749 /nfs/dbraw/zinc/84/77/49/164847749.db2.gz VONPVDNMGIUVIO-HNNXBMFYSA-N 0 0 345.378 0.953 10 0 ECAERN CCN(CC)S(=O)(=O)CC(=O)N1CCC[C@@H]1Cn1ccnc1C ZINC000177222885 164902206 /nfs/dbraw/zinc/90/22/06/164902206.db2.gz PVNNSISVEBEDQK-CQSZACIVSA-N 0 0 342.465 0.854 10 0 ECAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)NCC(=O)NCC1CC1)CC2 ZINC000183024898 164952633 /nfs/dbraw/zinc/95/26/33/164952633.db2.gz WNYZNYQDYSLOCL-LBPRGKRZSA-N 0 0 334.424 0.542 10 0 ECAERN CCc1nn(C)c(OC)c1CNC(=O)N1CC(NC(=O)C2CC2)C1 ZINC000187752641 164991958 /nfs/dbraw/zinc/99/19/58/164991958.db2.gz JATQLAKFOSIEPN-UHFFFAOYSA-N 0 0 335.408 0.411 10 0 ECAERN Cc1nn(C)c(C)c1CCNC(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188808487 165001820 /nfs/dbraw/zinc/00/18/20/165001820.db2.gz VSNXEVNQAOOPHY-UHFFFAOYSA-N 0 0 333.436 0.890 10 0 ECAERN Cc1nc2ncnn2c(C)c1CCC(=O)N1CCCNC(=O)[C@H]1C ZINC000188904147 165002927 /nfs/dbraw/zinc/00/29/27/165002927.db2.gz BAUXKGOFLAZHFM-GFCCVEGCSA-N 0 0 330.392 0.411 10 0 ECAERN CC(C)NC(=O)c1ccccc1NC(=O)CN1CCCNC(=O)[C@H]1C ZINC000189326464 165008643 /nfs/dbraw/zinc/00/86/43/165008643.db2.gz DQAYNCPYFZSANC-CYBMUJFWSA-N 0 0 346.431 0.974 10 0 ECAERN C[C@@H]1C(=O)NCCCN1S(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000190987431 165027296 /nfs/dbraw/zinc/02/72/96/165027296.db2.gz PDEBEWWMCQLSEN-MRVPVSSYSA-N 0 0 337.323 1.000 10 0 ECAERN CCN(Cc1ccccc1)C(=O)CNC(=O)N1CCCNC(=O)[C@H]1C ZINC000191285738 165030815 /nfs/dbraw/zinc/03/08/15/165030815.db2.gz ZLGYSIQQZRNODA-CQSZACIVSA-N 0 0 346.431 0.955 10 0 ECAERN CCn1c(=O)[nH]c2cc(C(=O)N3CCCNC(=O)[C@H]3C)ccc2c1=O ZINC000191765983 165036458 /nfs/dbraw/zinc/03/64/58/165036458.db2.gz IQBPHOWOLIQCLK-SNVBAGLBSA-N 0 0 344.371 0.060 10 0 ECAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N[C@H](C)CC(=O)c1ccc(F)cc1 ZINC000193559063 165055924 /nfs/dbraw/zinc/05/59/24/165055924.db2.gz VQUHJFQXSOBSBY-VCTAVGKDSA-N 0 0 336.363 0.885 10 0 ECAERN CC(C)n1nnnc1CS(=O)(=O)[C@H](C)C(=O)N1CCC(C)CC1 ZINC000195427391 165081020 /nfs/dbraw/zinc/08/10/20/165081020.db2.gz WQMLIDAYNOLODN-GFCCVEGCSA-N 0 0 343.453 0.816 10 0 ECAERN CCN1CCO[C@@H](C(=O)NC[C@H]2CCCN2c2cc(NC)ncn2)C1 ZINC000245417237 165105107 /nfs/dbraw/zinc/10/51/07/165105107.db2.gz FVTUSFLHTIZHMD-ZIAGYGMSSA-N 0 0 348.451 0.324 10 0 ECAERN NC(=O)[C@@H]1COCCN1C[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC000245687502 165114606 /nfs/dbraw/zinc/11/46/06/165114606.db2.gz ALJCRJJTHNUZHV-AAEUAGOBSA-N 0 0 348.321 0.631 10 0 ECAERN NC(=O)[C@@H]1COCCN1C[C@H](O)COc1c(Cl)cccc1Cl ZINC000246095369 165123410 /nfs/dbraw/zinc/12/34/10/165123410.db2.gz IXOLBNOPWNOQCQ-CABZTGNLSA-N 0 0 349.214 0.919 10 0 ECAERN C[C@H](O)CN1CCN(C(=O)[C@H]2Cc3ccccc3C(=O)O2)C[C@@H]1C ZINC000246797809 165142498 /nfs/dbraw/zinc/14/24/98/165142498.db2.gz QZQSWMANEJWRRM-HEHGZKQESA-N 0 0 332.400 0.682 10 0 ECAERN CCOCCN1CCN(C(=O)[C@H]2CCCN(C(N)=O)C2)C[C@H]1C ZINC000247147170 165155254 /nfs/dbraw/zinc/15/52/54/165155254.db2.gz POKKDOIQCQPECA-KGLIPLIRSA-N 0 0 326.441 0.346 10 0 ECAERN C[C@H](NC(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O)[C@@H]1CCCO1 ZINC000247341629 165157178 /nfs/dbraw/zinc/15/71/78/165157178.db2.gz AATFTGRLXMUHHQ-AVGNSLFASA-N 0 0 335.408 0.782 10 0 ECAERN CCOCCN1CCN(C(=O)[C@H](C)NC(=O)c2ccco2)C[C@H]1C ZINC000247261489 165158195 /nfs/dbraw/zinc/15/81/95/165158195.db2.gz YPSQQSCPFUMWRA-KGLIPLIRSA-N 0 0 337.420 0.967 10 0 ECAERN CC[C@H](NC(=O)[C@@H]1CNC(=O)C1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000247490294 165164409 /nfs/dbraw/zinc/16/44/09/165164409.db2.gz RNPDQSSDWFYWPP-YESZJQIVSA-N 0 0 345.443 0.918 10 0 ECAERN CCn1cc(NC(=O)C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)ccc1=O ZINC000249190214 165195844 /nfs/dbraw/zinc/19/58/44/165195844.db2.gz PEDULPIYBQWHAO-OCCSQVGLSA-N 0 0 332.404 0.502 10 0 ECAERN CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1ccn(CCOC)n1 ZINC000249202025 165196353 /nfs/dbraw/zinc/19/63/53/165196353.db2.gz RAUICVRBCOPVPB-KGLIPLIRSA-N 0 0 349.435 0.553 10 0 ECAERN C[C@H]1OCCN[C@@H]1C(=O)NCC(=O)Nc1ccc(-n2cccn2)cc1 ZINC000261868866 165256213 /nfs/dbraw/zinc/25/62/13/165256213.db2.gz CWVGOQOTZMTFEZ-WBMJQRKESA-N 0 0 343.387 0.304 10 0 ECAERN C[C@H]1OCCN[C@@H]1C(=O)N(C)CC(=O)Nc1cc(F)cc(F)c1 ZINC000261900500 165259583 /nfs/dbraw/zinc/25/95/83/165259583.db2.gz HQERYFZBWUONBW-OTYXRUKQSA-N 0 0 327.331 0.739 10 0 ECAERN Cc1nc2c(c(N3CCO[C@@H](C[N@@H+](C)CC(=O)[O-])C3)n1)CCCC2 ZINC000262103949 165290881 /nfs/dbraw/zinc/29/08/81/165290881.db2.gz JFKOGIAUNPCEDC-ZDUSSCGKSA-N 0 0 334.420 0.885 10 0 ECAERN NCc1nc(CN2CCN(c3ncnc4sccc43)CC2)no1 ZINC000262155894 165302065 /nfs/dbraw/zinc/30/20/65/165302065.db2.gz GKMVDZALGFVCTO-UHFFFAOYSA-N 0 0 331.405 0.855 10 0 ECAERN COCCOc1ccccc1N1CCN(C(=O)[C@H]([NH3+])COC)CC1 ZINC000262281540 165322466 /nfs/dbraw/zinc/32/24/66/165322466.db2.gz LVSYAKZNZGJJGH-CQSZACIVSA-N 0 0 337.420 0.334 10 0 ECAERN C[C@H]1OCCN[C@@H]1C(=O)N[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000262307947 165327370 /nfs/dbraw/zinc/32/73/70/165327370.db2.gz QFWYTPUMEOJYNZ-OSMZGAPFSA-N 0 0 337.807 0.938 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NS(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)C1 ZINC000262454095 165351739 /nfs/dbraw/zinc/35/17/39/165351739.db2.gz HAUZZYNIUYGQOE-IWMBGFJWSA-N 0 0 347.481 0.736 10 0 ECAERN O=C([O-])C[N@H+](CC1CC1)C1CC(NC(=O)c2cnn3cccnc23)C1 ZINC000262680253 165373833 /nfs/dbraw/zinc/37/38/33/165373833.db2.gz AHKJRAYNTPYNIG-UHFFFAOYSA-N 0 0 343.387 0.787 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)[C@@H](C)NC(=O)C(C)(C)C)C1 ZINC000262726071 165378093 /nfs/dbraw/zinc/37/80/93/165378093.db2.gz SPAOSCDCIXOVJR-VOMCLLRMSA-N 0 0 327.425 0.591 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)CS(=O)(=O)C2CCCC2)C1 ZINC000262802528 165389522 /nfs/dbraw/zinc/38/95/22/165389522.db2.gz MSVONYGZWLLFEP-UHFFFAOYSA-N 0 0 346.449 0.398 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)N[C@H]2c3ccccc3C[C@@H]2O)C1 ZINC000263462119 165446876 /nfs/dbraw/zinc/44/68/76/165446876.db2.gz IZAFSCHHSHRXBP-ITMHDFIRSA-N 0 0 347.415 0.881 10 0 ECAERN COc1ccc(C(=O)N[C@H]2CCCn3ncnc32)cc1-n1cnnn1 ZINC000120367702 221559474 /nfs/dbraw/zinc/55/94/74/221559474.db2.gz UUZVJFNZJYKDPB-NSHDSACASA-N 0 0 340.347 0.527 10 0 ECAERN O=C(NC[C@H](O)CN1CCOCC1)c1cc(-c2ccccc2)no1 ZINC000123558628 222296823 /nfs/dbraw/zinc/29/68/23/222296823.db2.gz USLUVFQHWZMUFR-AWEZNQCLSA-N 0 0 331.372 0.765 10 0 ECAERN O=C(CSc1nnnn1C1CC1)N1CCC[C@@H](n2cncn2)C1 ZINC000171662456 227204240 /nfs/dbraw/zinc/20/42/40/227204240.db2.gz ILDKTKSQCVYPFA-LLVKDONJSA-N 0 0 334.409 0.555 10 0 ECAERN CC[C@@H]1CN(S(=O)(=O)CC[C@H]2CCCO2)CCN1C[C@H](C)O ZINC000246218154 545938686 /nfs/dbraw/zinc/93/86/86/545938686.db2.gz UHEACNBSAGLNQI-RRFJBIMHSA-N 0 0 334.482 0.662 10 0 ECAERN CCN(CC)C(=O)[C@H]1CCCN1C(=O)NCCCC(=O)N(C)C ZINC000174319430 263150229 /nfs/dbraw/zinc/15/02/29/263150229.db2.gz CZELWLFNCUTMPU-CYBMUJFWSA-N 0 0 326.441 0.897 10 0 ECAERN C[C@@H](NC(=O)[C@H]1CNC(=O)C1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000195355353 263171071 /nfs/dbraw/zinc/17/10/71/263171071.db2.gz WGASUESVZBGSTQ-CHWSQXEVSA-N 0 0 344.415 0.866 10 0 ECAERN O[C@]1(Cn2ccnn2)CCCN(Cc2cnn(-c3ccccc3)n2)C1 ZINC000284495742 264220086 /nfs/dbraw/zinc/22/00/86/264220086.db2.gz HUGMSKPIVPNNRU-QGZVFWFLSA-N 0 0 339.403 0.886 10 0 ECAERN NC(=O)[C@]1(O)CCCN(C(=O)c2ccc(Br)nc2)C1 ZINC000285402065 264309777 /nfs/dbraw/zinc/30/97/77/264309777.db2.gz GZFMXRJYNKMTCJ-LBPRGKRZSA-N 0 0 328.166 0.297 10 0 ECAERN COC(=O)CN(C[C@H](O)CN1C(=O)c2ccccc2C1=O)C(C)C ZINC000299118607 265337865 /nfs/dbraw/zinc/33/78/65/265337865.db2.gz DXOYUFREJIPVMV-LBPRGKRZSA-N 0 0 334.372 0.527 10 0 ECAERN O=C(CCCNC(=O)c1ccccc1)N1CC(NC(=O)C2CC2)C1 ZINC000189400727 437597143 /nfs/dbraw/zinc/59/71/43/437597143.db2.gz JQIPVEYKUHCEHS-UHFFFAOYSA-N 0 0 329.400 0.934 10 0 ECAERN CC(C)C[C@@H]1C[C@H]1NC(=O)N1CCO[C@H](C[N@H+](C)CC(=O)[O-])C1 ZINC000263393403 279061098 /nfs/dbraw/zinc/06/10/98/279061098.db2.gz QTOHMTUABMQVCF-MGPQQGTHSA-N 0 0 327.425 0.848 10 0 ECAERN C[C@H](O)CN1CCN(C(=O)Cn2cnc(-c3ccccc3)n2)C[C@@H]1C ZINC000245586176 290093650 /nfs/dbraw/zinc/09/36/50/290093650.db2.gz MLRQNCNUMFYIQQ-GJZGRUSLSA-N 0 0 343.431 0.859 10 0 ECAERN NC(=O)[C@@H]1COCCN1C(=O)c1cc(Br)ccc1F ZINC000091784243 295119771 /nfs/dbraw/zinc/11/97/71/295119771.db2.gz SYTHCLMGSPFEFJ-JTQLQIEISA-N 0 0 331.141 0.915 10 0 ECAERN NC(=O)[C@H]1COCCN1Cc1cc2c(cc1Br)OCO2 ZINC000179733287 295159691 /nfs/dbraw/zinc/15/96/91/295159691.db2.gz VSWORPZJZZUGAZ-SNVBAGLBSA-N 0 0 343.177 0.864 10 0 ECAERN O=C(CN1CN=NC1=O)N1CCC([C@H]2C(=O)Nc3ccccc32)CC1 ZINC000333088818 297108333 /nfs/dbraw/zinc/10/83/33/297108333.db2.gz SEWMEGYQJMAJTN-OAHLLOKOSA-N 0 0 341.371 0.958 10 0 ECAERN COC[C@@H]1CN(Cc2nnnn2CC2CCOCC2)CC(C)(C)O1 ZINC000343353285 297865908 /nfs/dbraw/zinc/86/59/08/297865908.db2.gz WQBVJSCIWXRSFL-AWEZNQCLSA-N 0 0 339.440 0.726 10 0 ECAERN COCCN1CCCN(C(=O)c2c[nH]nc2[C@H]2CCOC2)CC1=O ZINC000364569189 300368765 /nfs/dbraw/zinc/36/87/65/300368765.db2.gz ZXORWAKWAOYNOT-LBPRGKRZSA-N 0 0 336.392 0.235 10 0 ECAERN COCCN(Cc1cccnc1)C(=O)NC[C@@H](C)N1CCOCC1 ZINC000069767894 435965728 /nfs/dbraw/zinc/96/57/28/435965728.db2.gz OWJAVGIQSHMYEZ-OAHLLOKOSA-N 0 0 336.436 0.960 10 0 ECAERN C[C@H](NC(=O)C(=O)Nc1cccnc1-n1cccn1)[C@H]1CCCO1 ZINC000071066286 436002767 /nfs/dbraw/zinc/00/27/67/436002767.db2.gz VYZDMVCQZATZNZ-WCQYABFASA-N 0 0 329.360 0.890 10 0 ECAERN O=C(CN1CC(=O)N2CCC[C@@H]2C1=O)NCc1cccc(Cl)c1 ZINC000006847060 436004963 /nfs/dbraw/zinc/00/49/63/436004963.db2.gz PBCFYENWDJQTJK-CYBMUJFWSA-N 0 0 335.791 0.789 10 0 ECAERN COC(=O)[C@@H]1[C@@H](NS(=O)(=O)c2cccs2)CCN1C(C)=O ZINC000008297865 436026787 /nfs/dbraw/zinc/02/67/87/436026787.db2.gz IWKYOAYFAVZCEC-ONGXEEELSA-N 0 0 332.403 0.189 10 0 ECAERN COc1ccc(-c2cc(C[C@@H](O)CO)ccc2O)cc1C[C@H](O)CO ZINC000072107322 436032830 /nfs/dbraw/zinc/03/28/30/436032830.db2.gz LOZQPRNAFFRXNY-CVEARBPZSA-N 0 0 348.395 0.859 10 0 ECAERN CCNC(=O)C[C@H]1C(=O)NCCN1Cc1cccc(OC)c1OC ZINC000012587501 436051121 /nfs/dbraw/zinc/05/11/21/436051121.db2.gz HMMMJFMQTALEJB-ZDUSSCGKSA-N 0 0 335.404 0.530 10 0 ECAERN O=C1N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]1Cc1ccc(O)cc1 ZINC000014952390 436076990 /nfs/dbraw/zinc/07/69/90/436076990.db2.gz NGPCLOGFGKJCBP-IYBDPMFKSA-N 0 0 326.352 0.866 10 0 biogenic,in-vitro ECAERN Cc1ccccc1[C@H](C)NC(=O)CNS(=O)(=O)c1cnn(C)c1 ZINC000073862282 436097158 /nfs/dbraw/zinc/09/71/58/436097158.db2.gz TVJNWLUXQKJLEH-LBPRGKRZSA-N 0 0 336.417 0.884 10 0 ECAERN CN1C[C@@H](CNC(=O)CCCN2C(=O)c3ccccc3C2=O)CC1=O ZINC000074863117 436142892 /nfs/dbraw/zinc/14/28/92/436142892.db2.gz FMRRIVJDTOYGGI-GFCCVEGCSA-N 0 0 343.383 0.657 10 0 ECAERN C[C@H]1CCCN(S(=O)(=O)N2CCO[C@](C)(c3cnn(C)c3)C2)C1 ZINC000376660600 301280084 /nfs/dbraw/zinc/28/00/84/301280084.db2.gz YXAVBHUJRIGDES-ZFWWWQNUSA-N 0 0 342.465 0.944 10 0 ECAERN C[C@@H]1CN(C(=O)C2=NN(c3ccc(F)cc3)[C@@H](C(N)=O)C2)C[C@@H](C)O1 ZINC000029402565 436201584 /nfs/dbraw/zinc/20/15/84/436201584.db2.gz HILARZKAYPVIDG-UEKVPHQBSA-N 0 0 348.378 0.882 10 0 ECAERN CCN(CC)C(=O)CCCNC(=O)NC[C@@H](C)N1CCOCC1 ZINC000079252155 436294395 /nfs/dbraw/zinc/29/43/95/436294395.db2.gz UIRXLIFJGXOPDG-CQSZACIVSA-N 0 0 328.457 0.655 10 0 ECAERN C[C@@H](CNC(=O)C(=O)Nc1ccc(F)c(F)c1)N1CCOCC1 ZINC000041600919 436279263 /nfs/dbraw/zinc/27/92/63/436279263.db2.gz NPVVFHHOQSRVRV-JTQLQIEISA-N 0 0 327.331 0.740 10 0 ECAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000081580610 436350113 /nfs/dbraw/zinc/35/01/13/436350113.db2.gz OWHKPNLDZOZPFH-UWVGGRQHSA-N 0 0 345.325 0.948 10 0 ECAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000088297035 436401327 /nfs/dbraw/zinc/40/13/27/436401327.db2.gz HXFACQVWKQHCEU-LBPRGKRZSA-N 0 0 349.416 0.753 10 0 ECAERN C[C@@H]1CN(C(=O)CN2CCC(Nc3cccnn3)CC2)C[C@@H](C)O1 ZINC000105805019 436578650 /nfs/dbraw/zinc/57/86/50/436578650.db2.gz OWPGJVGKZLZMRN-ZIAGYGMSSA-N 0 0 333.436 0.989 10 0 ECAERN C[C@H](NC(=O)c1ccco1)C(=O)N1CCCN(c2cccnn2)CC1 ZINC000105810022 436578795 /nfs/dbraw/zinc/57/87/95/436578795.db2.gz CKKNLHBPKGAKBL-ZDUSSCGKSA-N 0 0 343.387 0.927 10 0 ECAERN CC(CO)(CO)NS(=O)(=O)c1ccc(Br)s1 ZINC000097022148 436536550 /nfs/dbraw/zinc/53/65/50/436536550.db2.gz BDVWEIMFXOWWGZ-UHFFFAOYSA-N 0 0 330.225 0.532 10 0 ECAERN CCc1nn(C)c(CC)c1S(=O)(=O)N[C@@H]1CCCn2ncnc21 ZINC000097021215 436536845 /nfs/dbraw/zinc/53/68/45/436536845.db2.gz OVPDBXYVFHDFQV-LLVKDONJSA-N 0 0 338.437 0.950 10 0 ECAERN CN1CCO[C@H](CNC(=O)NC2CCN(c3ccccn3)CC2)C1 ZINC000104789764 436562620 /nfs/dbraw/zinc/56/26/20/436562620.db2.gz WFTVOIIGPHCTMT-OAHLLOKOSA-N 0 0 333.436 0.680 10 0 ECAERN CN1CCO[C@H](CNC(=O)N2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC000104797459 436563181 /nfs/dbraw/zinc/56/31/81/436563181.db2.gz XFAVRCRAMCFTIQ-CYBMUJFWSA-N 0 0 326.441 0.217 10 0 ECAERN CN1CCO[C@H](CNC(=O)NCCN2CCc3sccc3C2)C1 ZINC000104791452 436563534 /nfs/dbraw/zinc/56/35/34/436563534.db2.gz KRAOELRFUZHZMY-CQSZACIVSA-N 0 0 338.477 0.736 10 0 ECAERN CN1CCO[C@@H](CNC(=O)N(CCC(N)=O)Cc2ccccc2)C1 ZINC000105096262 436570248 /nfs/dbraw/zinc/57/02/48/436570248.db2.gz BFOAXXTWGDYDDY-HNNXBMFYSA-N 0 0 334.420 0.404 10 0 ECAERN COC(=O)c1ccc(CN2CCN(c3ccc4nncn4n3)CC2)o1 ZINC000105816806 436580177 /nfs/dbraw/zinc/58/01/77/436580177.db2.gz WLMJIEMZXALEEV-UHFFFAOYSA-N 0 0 342.359 0.826 10 0 ECAERN CCCn1cc(CN2CCCN(C(=O)CCNC(N)=O)CC2)cn1 ZINC000105875262 436583980 /nfs/dbraw/zinc/58/39/80/436583980.db2.gz XIAUPAXZEUARMN-UHFFFAOYSA-N 0 0 336.440 0.386 10 0 ECAERN NC(=O)c1ccccc1NC(=O)CN1CCC[C@@H](Cn2cncn2)C1 ZINC000105883789 436585139 /nfs/dbraw/zinc/58/51/39/436585139.db2.gz UUYRJLKOYPAHBC-CYBMUJFWSA-N 0 0 342.403 0.728 10 0 ECAERN C[C@H](c1nc(N)nc(N(C)C)n1)N1CCC(Nc2cccnn2)CC1 ZINC000106081529 436589530 /nfs/dbraw/zinc/58/95/30/436589530.db2.gz OGUUSNGIKOENQB-LLVKDONJSA-N 0 0 343.439 0.947 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)CNC(=O)c2ccc(C)c(C)c2)CC1 ZINC000106403296 436594632 /nfs/dbraw/zinc/59/46/32/436594632.db2.gz WPCWSYFNBVGLIT-QGZVFWFLSA-N 0 0 347.459 0.948 10 0 ECAERN CN(C)[C@@H](Cc1ccccc1)C(=O)NCC(=O)NCC(F)(F)F ZINC000106459226 436596056 /nfs/dbraw/zinc/59/60/56/436596056.db2.gz WDURZWKHMCYABT-LBPRGKRZSA-N 0 0 331.338 0.954 10 0 ECAERN Cc1cnn(C[C@H]2CN(S(=O)(=O)N3CCC[C@H](C)C3)CCO2)c1 ZINC000112094303 436632492 /nfs/dbraw/zinc/63/24/92/436632492.db2.gz VSFBXBQVAACVAF-ZFWWWQNUSA-N 0 0 342.465 0.869 10 0 ECAERN O=C(NC1CCN(c2ccccn2)CC1)N[C@@H]1CCc2ncnn2C1 ZINC000112743860 436633940 /nfs/dbraw/zinc/63/39/40/436633940.db2.gz LLEYVUOMLRWRSR-CQSZACIVSA-N 0 0 341.419 0.956 10 0 ECAERN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)CS[C@@H]1CCS(=O)(=O)C1 ZINC000113225090 436636333 /nfs/dbraw/zinc/63/63/33/436636333.db2.gz QCMSVMBJYZBQND-JHJVBQTASA-N 0 0 332.491 0.602 10 0 ECAERN CNS(=O)(=O)c1ccc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cc1 ZINC000113227933 436636375 /nfs/dbraw/zinc/63/63/75/436636375.db2.gz ZXSBMKMGOMQULQ-GXTWGEPZSA-N 0 0 337.445 0.903 10 0 ECAERN CC(C)(CO)CNS(=O)(=O)c1cc(Br)cnc1N ZINC000114719900 436643286 /nfs/dbraw/zinc/64/32/86/436643286.db2.gz NGJVSPWMGALQMY-UHFFFAOYSA-N 0 0 338.227 0.723 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1ccc3c(c1)C(=O)NC3=O)CC2 ZINC000114890633 436644678 /nfs/dbraw/zinc/64/46/78/436644678.db2.gz LZUHUNRARWYBOC-JTQLQIEISA-N 0 0 339.355 0.469 10 0 ECAERN Cc1nc(CN2CCCN(C(=O)CSCC(N)=O)CC2)cs1 ZINC000116468556 436650678 /nfs/dbraw/zinc/65/06/78/436650678.db2.gz PBELPZLBIHNBHM-UHFFFAOYSA-N 0 0 342.490 0.704 10 0 ECAERN Cn1ncc(N2CCC[C@@H](C(=O)NCCc3ccccn3)C2)cc1=O ZINC000065313770 436653548 /nfs/dbraw/zinc/65/35/48/436653548.db2.gz RTCPKWXCTVYSSJ-CQSZACIVSA-N 0 0 341.415 0.751 10 0 ECAERN CCOCCN1CCN(c2ncccc2S(N)(=O)=O)C[C@H]1CC ZINC000116871309 436654231 /nfs/dbraw/zinc/65/42/31/436654231.db2.gz BUPWMBQVVSZMSS-CYBMUJFWSA-N 0 0 342.465 0.666 10 0 ECAERN CC(C)CCNC(=O)Cn1ncc2c1ncnc2N1CCOCC1 ZINC000065295103 436654285 /nfs/dbraw/zinc/65/42/85/436654285.db2.gz ZVHITQVIIIWVDA-UHFFFAOYSA-N 0 0 332.408 0.825 10 0 ECAERN Cn1cc([C@@H]2CCN(C(=O)[C@H]3CCCCN3S(C)(=O)=O)C2)cn1 ZINC000116120944 436649044 /nfs/dbraw/zinc/64/90/44/436649044.db2.gz SGMTXJIXCNVMJI-TZMCWYRMSA-N 0 0 340.449 0.550 10 0 ECAERN Cn1cc([C@@H]2CCN(C(=O)[C@@H]3CCCCN3S(C)(=O)=O)C2)cn1 ZINC000116120939 436649349 /nfs/dbraw/zinc/64/93/49/436649349.db2.gz SGMTXJIXCNVMJI-OCCSQVGLSA-N 0 0 340.449 0.550 10 0 ECAERN CCCS(=O)(=O)CC(=O)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000150712227 436687058 /nfs/dbraw/zinc/68/70/58/436687058.db2.gz HVRUUIIMPVBFDN-NSHDSACASA-N 0 0 328.438 0.657 10 0 ECAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)CCCS(C)(=O)=O)CC2 ZINC000150711813 436687937 /nfs/dbraw/zinc/68/79/37/436687937.db2.gz FRVMWZXEQSRLPD-LLVKDONJSA-N 0 0 328.438 0.657 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)Nc2ccc(C(N)=O)c(F)c2)CC1 ZINC000120471985 436688254 /nfs/dbraw/zinc/68/82/54/436688254.db2.gz YPFFIFLVCMYOJV-GFCCVEGCSA-N 0 0 338.383 0.845 10 0 ECAERN CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)C(=O)Nc2cccc(C(N)=O)c2)C1 ZINC000150774350 436689860 /nfs/dbraw/zinc/68/98/60/436689860.db2.gz YKBSJVHNWWPZEQ-RISCZKNCSA-N 0 0 332.404 0.569 10 0 ECAERN Cc1nn(C)c(C)c1OCC(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000151012099 436693665 /nfs/dbraw/zinc/69/36/65/436693665.db2.gz NABVNYLEMUDHNF-WFASDCNBSA-N 0 0 336.436 0.595 10 0 ECAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)c1nc2nccc(C)n2n1 ZINC000151291846 436699579 /nfs/dbraw/zinc/69/95/79/436699579.db2.gz HIQDPULTJOKTKV-SNVBAGLBSA-N 0 0 326.364 0.852 10 0 ECAERN CN1CCO[C@@H](CNC(=O)c2cc(S(C)(=O)=O)ccc2Cl)C1 ZINC000151425369 436703061 /nfs/dbraw/zinc/70/30/61/436703061.db2.gz WEPAKGIUPURUPA-JTQLQIEISA-N 0 0 346.836 0.804 10 0 ECAERN CC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2ccccc2N(C)C)C1 ZINC000121291939 436711395 /nfs/dbraw/zinc/71/13/95/436711395.db2.gz OCNHCNCHWJGLQT-ZDUSSCGKSA-N 0 0 332.404 0.818 10 0 ECAERN CCc1nnc(C[S@@](=O)CCN2C(=O)c3ccccc3C2=O)n1C ZINC000194219426 436662046 /nfs/dbraw/zinc/66/20/46/436662046.db2.gz RRCAYGXINPGXGY-DEOSSOPVSA-N 0 0 346.412 0.922 10 0 ECAERN O=C(N[C@H](Cc1ccccc1)C(=O)N1CCCC1)[C@@H]1CNC(=O)C1 ZINC000194654876 436668866 /nfs/dbraw/zinc/66/88/66/436668866.db2.gz HTMGWNQAJXFKME-LSDHHAIUSA-N 0 0 329.400 0.472 10 0 ECAERN CCc1nnc(CN2CCCN(Cc3nnc(CC)n3C)CC2)n1C ZINC000195035371 436676992 /nfs/dbraw/zinc/67/69/92/436676992.db2.gz ZLKPTUAGPYBXJP-UHFFFAOYSA-N 0 0 346.483 0.776 10 0 ECAERN O=C(NC[C@@H](O)COc1cccc(C(F)(F)F)c1)[C@H]1CNC(=O)C1 ZINC000195093397 436678462 /nfs/dbraw/zinc/67/84/62/436678462.db2.gz OVUHUAOKVNWDBT-MWLCHTKSSA-N 0 0 346.305 0.697 10 0 ECAERN Cc1nc2c(cnn2C)c(N2CCN(Cc3csnn3)CC2)n1 ZINC000121906937 436728730 /nfs/dbraw/zinc/72/87/30/436728730.db2.gz ZCJMTHKHAMNIIZ-UHFFFAOYSA-N 0 0 330.421 0.845 10 0 ECAERN C[C@H](NC(=O)N1CC(=O)N[C@@H]2CCCC[C@H]21)C(=O)N1CCCCC1 ZINC000152660844 436736043 /nfs/dbraw/zinc/73/60/43/436736043.db2.gz JIZFVERCYYMSNT-BFHYXJOUSA-N 0 0 336.436 0.840 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)NCCCNC(=O)C(C)C)CC2 ZINC000124783369 436757284 /nfs/dbraw/zinc/75/72/84/436757284.db2.gz KDMMRVWYRNAOKZ-LBPRGKRZSA-N 0 0 336.440 0.617 10 0 ECAERN COCCOCCS(=O)(=O)N1CCC[C@H](n2cc(C)cn2)C1 ZINC000153678556 436760056 /nfs/dbraw/zinc/76/00/56/436760056.db2.gz PECFTMTXVWWXDU-AWEZNQCLSA-N 0 0 331.438 0.821 10 0 ECAERN O=C(Cc1ccccc1OC(F)F)NC[C@@H](O)CN1CCOCC1 ZINC000128149416 436812986 /nfs/dbraw/zinc/81/29/86/436812986.db2.gz OWJUAJPRCIDENH-CYBMUJFWSA-N 0 0 344.358 0.640 10 0 ECAERN Cc1ccoc1C(=O)NCCCNC(=O)NC[C@@H]1CN(C)CCO1 ZINC000125798412 436776760 /nfs/dbraw/zinc/77/67/60/436776760.db2.gz VJQMCSLRMDDGOM-CYBMUJFWSA-N 0 0 338.408 0.338 10 0 ECAERN Cc1nnc([C@@H]2CN(C[C@H]3CCCN(S(C)(=O)=O)C3)CCO2)[nH]1 ZINC000246309421 436777944 /nfs/dbraw/zinc/77/79/44/436777944.db2.gz MEVWZQNEBLDNCO-OLZOCXBDSA-N 0 0 343.453 0.158 10 0 ECAERN CC[C@@H]1CN(C(=O)C(=O)Nc2cc(C)nn2C)CCN1CCOC ZINC000126250184 436784467 /nfs/dbraw/zinc/78/44/67/436784467.db2.gz RGPNZABAKZTTFW-CYBMUJFWSA-N 0 0 337.424 0.236 10 0 ECAERN C[C@H](O)CN1CCN(C(=O)C(=O)Nc2cc(F)ccc2F)C[C@@H]1C ZINC000246830264 436786014 /nfs/dbraw/zinc/78/60/14/436786014.db2.gz BBBRRVJBKIUBQP-QWRGUYRKSA-N 0 0 341.358 0.817 10 0 ECAERN Cc1ccc(F)cc1NC(=O)C(=O)N1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000247074997 436789197 /nfs/dbraw/zinc/78/91/97/436789197.db2.gz OWZQBCKQEYBHIJ-STQMWFEESA-N 0 0 337.395 0.986 10 0 ECAERN CCn1cc(Br)cc1C(=O)N1CCOC[C@@H]1C(N)=O ZINC000126745222 436792049 /nfs/dbraw/zinc/79/20/49/436792049.db2.gz CGXHETFTAZQUGI-SNVBAGLBSA-N 0 0 330.182 0.597 10 0 ECAERN CCS(=O)(=O)NCCS(=O)(=O)N1CCC[C@@H]1c1ccco1 ZINC000155174605 436792232 /nfs/dbraw/zinc/79/22/32/436792232.db2.gz MWDLDIKEJKSAGH-LLVKDONJSA-N 0 0 336.435 0.686 10 0 ECAERN NC(=O)[C@@H]1COCCN1S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000158152531 436840817 /nfs/dbraw/zinc/84/08/17/436840817.db2.gz UZMFLBLFVSYSTR-QMMMGPOBSA-N 0 0 340.188 0.263 10 0 ECAERN NS(=O)(=O)c1cccnc1N1CCN(CC2CCCC2)C(=O)C1 ZINC000158368420 436844581 /nfs/dbraw/zinc/84/45/81/436844581.db2.gz IVXQUDMMUQTRCS-UHFFFAOYSA-N 0 0 338.433 0.568 10 0 ECAERN COc1nc(N=NC(C)c2nonc2C)nc(N2CCOCC2)n1 ZINC000254706084 436850635 /nfs/dbraw/zinc/85/06/35/436850635.db2.gz IJUOTAGQXOJOSQ-UHFFFAOYSA-N 0 0 334.340 0.244 10 0 ECAERN CNC(=O)c1cncc(/C=C\C(=O)N2CCC[C@H](NC(C)=O)C2)c1 ZINC000255416451 436852530 /nfs/dbraw/zinc/85/25/30/436852530.db2.gz XUWKCUOGHGRAMY-YVACAVLKSA-N 0 0 330.388 0.582 10 0 ECAERN CCn1cc(CN2C[C@@H](CO)[C@H](NC(=O)c3cnccn3)C2)c(C)n1 ZINC000257194998 436859646 /nfs/dbraw/zinc/85/96/46/436859646.db2.gz VDXCUZMOESYJRK-GOEBONIOSA-N 0 0 344.419 0.224 10 0 ECAERN Cc1cc(C)cc(OCCC(=O)NC[C@H](O)CN2CCOCC2)c1 ZINC000128987082 436823108 /nfs/dbraw/zinc/82/31/08/436823108.db2.gz GWCGUPUXICONBC-INIZCTEOSA-N 0 0 336.432 0.882 10 0 ECAERN O[C@@H](CN1CCOCC1)CN1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000249879232 436827699 /nfs/dbraw/zinc/82/76/99/436827699.db2.gz MTPWGZGAINDOHH-HOTGVXAUSA-N 0 0 349.479 0.835 10 0 ECAERN O=C(NC[C@@H]1CCCC[C@@H]1O)C(=O)Nc1cnn(CC(F)F)c1 ZINC000157599279 436829460 /nfs/dbraw/zinc/82/94/60/436829460.db2.gz YGDBLEZZDOJSDI-ONGXEEELSA-N 0 0 330.335 0.754 10 0 ECAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1nnc2n1CCCC2 ZINC000162793258 436913380 /nfs/dbraw/zinc/91/33/80/436913380.db2.gz IJGWCYLVQOFLDT-NSHDSACASA-N 0 0 341.437 0.757 10 0 ECAERN Cc1nc(C[C@@H]2CCCN(C(=O)CNC(=O)c3cccnc3)C2)no1 ZINC000162952073 436914753 /nfs/dbraw/zinc/91/47/53/436914753.db2.gz HEAXCLVNHDWZRC-ZDUSSCGKSA-N 0 0 343.387 0.984 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)c2cccc(-n3cccn3)n2)CC1 ZINC000135464813 436915659 /nfs/dbraw/zinc/91/56/59/436915659.db2.gz OQZVTPBJIFCDQX-AWEZNQCLSA-N 0 0 329.404 0.796 10 0 ECAERN CCOCCN1CCN(S(=O)(=O)[C@@H]2CCO[C@@H]2C)C[C@@H]1CC ZINC000135688974 436922427 /nfs/dbraw/zinc/92/24/27/436922427.db2.gz PSXJSZOFOGJFJE-QLFBSQMISA-N 0 0 334.482 0.926 10 0 ECAERN CCOCCN1CCN(S(=O)(=O)[C@@H]2CCO[C@@H]2C)C[C@H]1CC ZINC000135688945 436923340 /nfs/dbraw/zinc/92/33/40/436923340.db2.gz PSXJSZOFOGJFJE-RBSFLKMASA-N 0 0 334.482 0.926 10 0 ECAERN CC(C)c1nc2n(n1)C[C@H](NS(=O)(=O)[C@H]1CCO[C@@H]1C)CC2 ZINC000135726679 436923812 /nfs/dbraw/zinc/92/38/12/436923812.db2.gz AKBPGOJPCAFHFB-UTUOFQBUSA-N 0 0 328.438 0.813 10 0 ECAERN CCc1n[nH]c(=O)c(C(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)c1CC ZINC000136002700 436927169 /nfs/dbraw/zinc/92/71/69/436927169.db2.gz HCGRMMTWZNGYTH-DOMZBBRYSA-N 0 0 348.447 0.687 10 0 ECAERN COCCN1C(=O)C[C@@H](CNc2ncc(F)cn2)[C@@H]1c1cnn(C)c1 ZINC000275385343 436961663 /nfs/dbraw/zinc/96/16/63/436961663.db2.gz YZPADPMDGKVYMR-XHDPSFHLSA-N 0 0 348.382 0.997 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)CNC(=O)c2ccccc2C)C1 ZINC000263472257 436968737 /nfs/dbraw/zinc/96/87/37/436968737.db2.gz YEUSBHJNIHZQPQ-UHFFFAOYSA-N 0 0 347.415 0.779 10 0 ECAERN CC(=O)N(CCC(=O)NC[C@@H]1CN(C)CCO1)Cc1ccccc1 ZINC000171135480 436970515 /nfs/dbraw/zinc/97/05/15/436970515.db2.gz JRZIVTDJVZTKNJ-QGZVFWFLSA-N 0 0 333.432 0.872 10 0 ECAERN CCc1nnc([C@@H]2CN(C(=O)CCc3cnn(C)c3C)CCO2)[nH]1 ZINC000136438486 436933794 /nfs/dbraw/zinc/93/37/94/436933794.db2.gz SQBKPLTYKUWMRQ-ZDUSSCGKSA-N 0 0 332.408 0.942 10 0 ECAERN CNC(=O)c1ccc(S(=O)(=O)NC[C@H]2CCc3nccn3C2)cc1 ZINC000275205637 436941006 /nfs/dbraw/zinc/94/10/06/436941006.db2.gz AHHBVQMCVAWTEM-GFCCVEGCSA-N 0 0 348.428 0.784 10 0 ECAERN COc1ccc(C(=O)N2CCO[C@H](C[N@H+](C)CC(=O)[O-])C2)cc1F ZINC000262934577 436945023 /nfs/dbraw/zinc/94/50/23/436945023.db2.gz MPUZQAIFZDSXKE-GFCCVEGCSA-N 0 0 340.351 0.692 10 0 ECAERN CC(C)(C)n1cc(CN2CCN(CCCS(N)(=O)=O)CC2)cn1 ZINC000171592190 436981666 /nfs/dbraw/zinc/98/16/66/436981666.db2.gz WPFNSCUUQVVTKP-UHFFFAOYSA-N 0 0 343.497 0.434 10 0 ECAERN O=C(Nc1cnn(CCN2CCOCC2)c1)[C@@H]1CC(F)(F)CN1 ZINC000263178980 436953877 /nfs/dbraw/zinc/95/38/77/436953877.db2.gz GMTLIQHVADKQHK-LBPRGKRZSA-N 0 0 329.351 0.151 10 0 ECAERN CNC(=O)c1ccc(CN(C)C(=O)N[C@@H]2CCc3ncnn3C2)cc1 ZINC000172604566 437022515 /nfs/dbraw/zinc/02/25/15/437022515.db2.gz WNNHKYGIHVXHPC-CQSZACIVSA-N 0 0 342.403 0.794 10 0 ECAERN COC(=O)CN(CCN1CCOCC1)Cc1nnc(C(C)C)n1C ZINC000171938385 436994584 /nfs/dbraw/zinc/99/45/84/436994584.db2.gz VETATLHIGSSZDG-UHFFFAOYSA-N 0 0 339.440 0.246 10 0 ECAERN CCOCCN1CCN(S(=O)(=O)C[C@@H]2CCCO2)C[C@H]1CC ZINC000172030424 436997183 /nfs/dbraw/zinc/99/71/83/436997183.db2.gz ZRBIBTAMTZVJNQ-CABCVRRESA-N 0 0 334.482 0.928 10 0 ECAERN Cc1cnn(CCNC(=O)C(=O)Nc2ccc(-c3ncon3)cc2)c1 ZINC000172312458 437008213 /nfs/dbraw/zinc/00/82/13/437008213.db2.gz ULKCLWOXOMVCTL-UHFFFAOYSA-N 0 0 340.343 0.996 10 0 ECAERN CCc1nccn1[C@@H]1CCCN(S(=O)(=O)CCS(C)(=O)=O)C1 ZINC000173172916 437041285 /nfs/dbraw/zinc/04/12/85/437041285.db2.gz KUSKXLSZPXZUAB-GFCCVEGCSA-N 0 0 349.478 0.457 10 0 ECAERN C[C@@H](O)CN1CCN(C(=O)c2nc3ccccc3c(=O)[nH]2)C[C@@H]1C ZINC000173233897 437042750 /nfs/dbraw/zinc/04/27/50/437042750.db2.gz FXKWDEIRAFLWHQ-NWDGAFQWSA-N 0 0 330.388 0.450 10 0 ECAERN C[C@@H](C(=O)N[C@H]1CCc2ncnn2C1)n1nnc(-c2ccccc2)n1 ZINC000173373238 437046691 /nfs/dbraw/zinc/04/66/91/437046691.db2.gz GZMXSGZXPZCWHH-AAEUAGOBSA-N 0 0 338.375 0.624 10 0 ECAERN CNc1cc(N2CCC[C@H]2CNC(=O)c2ccc(=O)n(C)c2)ncn1 ZINC000173421721 437047422 /nfs/dbraw/zinc/04/74/22/437047422.db2.gz SRQBEZWLFZRGEC-ZDUSSCGKSA-N 0 0 342.403 0.616 10 0 ECAERN CCc1nnc([C@H]2CN(C(=O)CNC(=O)CC(C)(C)C)CCO2)[nH]1 ZINC000173571099 437056259 /nfs/dbraw/zinc/05/62/59/437056259.db2.gz FBPQOBSESAXPIL-LLVKDONJSA-N 0 0 337.424 0.819 10 0 ECAERN Cc1nnc([C@H]2CN(C(=O)CNC(=O)c3ccccc3C)CCO2)[nH]1 ZINC000173547347 437056976 /nfs/dbraw/zinc/05/69/76/437056976.db2.gz IFECHOFOEGGDGV-CQSZACIVSA-N 0 0 343.387 0.751 10 0 ECAERN Cc1nnc([C@@H]2CN(C(=O)CNC(=O)c3cccc(F)c3)CCO2)[nH]1 ZINC000173755609 437062625 /nfs/dbraw/zinc/06/26/25/437062625.db2.gz CSGMVGZZBAZMNV-ZDUSSCGKSA-N 0 0 347.350 0.582 10 0 ECAERN C[C@H]1CN(C(=O)CCNC(=O)C(C)(C)C)C[C@H]1N1CCOCC1 ZINC000173885038 437066226 /nfs/dbraw/zinc/06/62/26/437066226.db2.gz DUVXPJMDHWDSIS-UONOGXRCSA-N 0 0 325.453 0.718 10 0 ECAERN O=S(=O)(c1ccc2c(c1)CCO2)N1CC[C@H](N2CCOCC2)C1 ZINC000173999614 437070177 /nfs/dbraw/zinc/07/01/77/437070177.db2.gz HDHYBYWVWUUTGF-AWEZNQCLSA-N 0 0 338.429 0.717 10 0 ECAERN Cc1cc(N2CCC[C@@H](NS(=O)(=O)N(C)C(C)C)C2=O)n(C)n1 ZINC000174040912 437073390 /nfs/dbraw/zinc/07/33/90/437073390.db2.gz SDTUGHGDKAPWAM-GFCCVEGCSA-N 0 0 343.453 0.399 10 0 ECAERN CNS(=O)(=O)CC(=O)N1CCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000175220952 437097479 /nfs/dbraw/zinc/09/74/79/437097479.db2.gz FRFWTBADEHCWCR-ZIAGYGMSSA-N 0 0 326.418 0.650 10 0 ECAERN COCCCOC1CCN(C(=O)N[C@@H]2CCc3ncnn3C2)CC1 ZINC000175116269 437094702 /nfs/dbraw/zinc/09/47/02/437094702.db2.gz CZMOGTNOSCLUDY-CYBMUJFWSA-N 0 0 337.424 0.820 10 0 ECAERN CCNC(=O)c1ccc(N2C[C@@H](C(N)=O)[C@H](C(F)(F)F)C2)nc1 ZINC000299741847 437108563 /nfs/dbraw/zinc/10/85/63/437108563.db2.gz HFSJOISOGLMWEP-NXEZZACHSA-N 0 0 330.310 0.931 10 0 ECAERN CNc1nc(N2CCN(CCO)[C@@H](C)C2)ncc1Br ZINC000302556424 437145964 /nfs/dbraw/zinc/14/59/64/437145964.db2.gz RVWDBTFGEKYTEH-VIFPVBQESA-N 0 0 330.230 0.784 10 0 ECAERN CCc1nnc(NC2CCN(CCS(C)(=O)=O)CC2)nc1CC ZINC000302742399 437148205 /nfs/dbraw/zinc/14/82/05/437148205.db2.gz QZTUVEYRMIPAGH-UHFFFAOYSA-N 0 0 341.481 0.917 10 0 ECAERN COCCN1CCCN(c2cncc(-n3ccnc3C)n2)CC1=O ZINC000302750077 437149275 /nfs/dbraw/zinc/14/92/75/437149275.db2.gz GQCGIGAPEQWHFN-UHFFFAOYSA-N 0 0 330.392 0.656 10 0 ECAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)CNC(=O)c1ccccn1)CC2 ZINC000176752376 437155362 /nfs/dbraw/zinc/15/53/62/437155362.db2.gz NHEMCMXSKAKDOP-LBPRGKRZSA-N 0 0 342.403 0.658 10 0 ECAERN CCOCCN1CCN(C(=O)CC2(CS(C)(=O)=O)CC2)C[C@@H]1C ZINC000176859741 437159214 /nfs/dbraw/zinc/15/92/14/437159214.db2.gz CRJZGJJOIYAJGA-AWEZNQCLSA-N 0 0 346.493 0.771 10 0 ECAERN NS(=O)(=O)[C@H]1C(I)=NC=C[C@@H]1OC1CC1 ZINC000095734674 303442135 /nfs/dbraw/zinc/44/21/35/303442135.db2.gz BYNVUGOLRZHASP-NKWVEPMBSA-N 0 0 342.158 0.552 10 0 ECAERN Cc1nn(C)c(C)c1CCNC(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000175688090 437114024 /nfs/dbraw/zinc/11/40/24/437114024.db2.gz LJMSLMNZLBSWCS-GUYCJALGSA-N 0 0 349.479 0.942 10 0 ECAERN O=C(CNC(=O)COc1ccccc1)N[C@H]1CCCn2ncnc21 ZINC000175713051 437116431 /nfs/dbraw/zinc/11/64/31/437116431.db2.gz VJZBFVDNCNKERI-ZDUSSCGKSA-N 0 0 329.360 0.424 10 0 ECAERN C[C@@H]1CN(C(=O)CC2(CS(C)(=O)=O)CC2)C[C@@H]1N1CCOCC1 ZINC000176925576 437164412 /nfs/dbraw/zinc/16/44/12/437164412.db2.gz IGNXTJJTOKFQKA-KGLIPLIRSA-N 0 0 344.477 0.380 10 0 ECAERN CNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCn3ncnc32)cc1 ZINC000175823085 437118937 /nfs/dbraw/zinc/11/89/37/437118937.db2.gz RRBSFPZKGVENRV-GFCCVEGCSA-N 0 0 335.389 0.451 10 0 ECAERN CCOCCNC(=O)CN1CCN([C@H](C)c2nc(C)no2)CC1 ZINC000175961479 437125895 /nfs/dbraw/zinc/12/58/95/437125895.db2.gz KVWATJCZEXIURD-GFCCVEGCSA-N 0 0 325.413 0.209 10 0 ECAERN NC(=O)c1ccc(N2C[C@@H]3OCCN(Cc4ccccc4)[C@H]3C2)nn1 ZINC000301633511 437128053 /nfs/dbraw/zinc/12/80/53/437128053.db2.gz JYSJUIHTABVRGO-HOTGVXAUSA-N 0 0 339.399 0.665 10 0 ECAERN COc1cccc(-c2noc(NC[C@@H](O)CN3CCOCC3)n2)c1 ZINC000301747616 437130813 /nfs/dbraw/zinc/13/08/13/437130813.db2.gz ZGVLKWZSBGQVHZ-CYBMUJFWSA-N 0 0 334.376 0.850 10 0 ECAERN CC(C)(C)C(=O)Cn1cc(C(=O)N[C@@H]2CCCn3ncnc32)nn1 ZINC000176130705 437132161 /nfs/dbraw/zinc/13/21/61/437132161.db2.gz XLVHCBKUKNBZFB-SNVBAGLBSA-N 0 0 331.380 0.750 10 0 ECAERN O=C(Nc1cccnc1-n1cccn1)C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000177181926 437172490 /nfs/dbraw/zinc/17/24/90/437172490.db2.gz VQXITJFMZHRYNL-YPMHNXCESA-N 0 0 329.360 0.626 10 0 ECAERN O=C(NCCNC(=O)c1ccc(F)cc1)N[C@H]1CCCn2ncnc21 ZINC000177320312 437179359 /nfs/dbraw/zinc/17/93/59/437179359.db2.gz TUZKGZTVACCULW-ZDUSSCGKSA-N 0 0 346.366 0.981 10 0 ECAERN Cc1ccc(F)cc1NC(=O)C(=O)N1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000177609636 437191465 /nfs/dbraw/zinc/19/14/65/437191465.db2.gz OWZQBCKQEYBHIJ-QWHCGFSZSA-N 0 0 337.395 0.986 10 0 ECAERN COc1cc(F)ccc1NC(=O)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000177633124 437191788 /nfs/dbraw/zinc/19/17/88/437191788.db2.gz SWRLQDXOJLTPBL-SNVBAGLBSA-N 0 0 333.323 0.496 10 0 ECAERN COc1ccc(NC(=O)C(=O)N[C@@H]2CCc3ncnn3C2)c(C)c1 ZINC000177624873 437191892 /nfs/dbraw/zinc/19/18/92/437191892.db2.gz GHLSNDAJLXFEGF-LLVKDONJSA-N 0 0 329.360 0.665 10 0 ECAERN C[C@@H](O)CN1CCN(C(=O)C(=O)Nc2c(F)cccc2F)C[C@H]1C ZINC000177606521 437192200 /nfs/dbraw/zinc/19/22/00/437192200.db2.gz UBGGFAULBULAGV-GHMZBOCLSA-N 0 0 341.358 0.817 10 0 ECAERN Cc1c(F)cccc1NC(=O)C(=O)N1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000177610748 437192238 /nfs/dbraw/zinc/19/22/38/437192238.db2.gz ZOPUZXSWCXKMFE-VXGBXAGGSA-N 0 0 337.395 0.986 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)C(=O)Nc1ccc(Cl)nc1)CC2 ZINC000177641526 437193703 /nfs/dbraw/zinc/19/37/03/437193703.db2.gz CEJQHDAWMHMPPX-SNVBAGLBSA-N 0 0 348.794 0.959 10 0 ECAERN O=C(NCCCNC(=O)N1CC[C@@H](N2CCOCC2)C1)C1CCC1 ZINC000177020778 437165648 /nfs/dbraw/zinc/16/56/48/437165648.db2.gz QQDCYAIWPDTXLB-OAHLLOKOSA-N 0 0 338.452 0.409 10 0 ECAERN CCc1nn(C)c(OC)c1CN1CCC[C@H]1c1nc(C(N)=O)no1 ZINC000328631715 437244324 /nfs/dbraw/zinc/24/43/24/437244324.db2.gz KTZRHFRCJOGCLW-NSHDSACASA-N 0 0 334.380 0.810 10 0 ECAERN OC[C@H]1C[C@@H](O)CN1Cc1nnnn1-c1ccc(C(F)(F)F)cc1 ZINC000179170734 437253568 /nfs/dbraw/zinc/25/35/68/437253568.db2.gz CFXJTXFMHRPGDJ-VXGBXAGGSA-N 0 0 343.309 0.609 10 0 ECAERN O=C(CN1C[C@H](O)C[C@@H]1CO)N1CCC(Cc2ccccc2)CC1 ZINC000179173245 437254049 /nfs/dbraw/zinc/25/40/49/437254049.db2.gz YRYHSCDRCLDTKA-QZTJIDSGSA-N 0 0 332.444 0.895 10 0 ECAERN CC[C@H](C(=O)NC[C@@H](O)CN1CCOCC1)c1ccc(OC)cc1 ZINC000179757812 437273275 /nfs/dbraw/zinc/27/32/75/437273275.db2.gz HKEPRCOVCMLWGI-WBVHZDCISA-N 0 0 336.432 0.998 10 0 ECAERN Cc1c(C(=O)N2CCOC[C@@H]2C(N)=O)nnn1-c1ccccc1Cl ZINC000180273055 437285097 /nfs/dbraw/zinc/28/50/97/437285097.db2.gz XKTCOCPDDOSZMN-GFCCVEGCSA-N 0 0 349.778 0.555 10 0 ECAERN C[C@H](NC[C@@H](O)CN1CCCC1=O)c1cn(-c2ccccc2)nn1 ZINC000180441615 437291636 /nfs/dbraw/zinc/29/16/36/437291636.db2.gz JZFPUCUDSHMCGX-DZGCQCFKSA-N 0 0 329.404 0.901 10 0 ECAERN C[C@@H]1CN(C(=O)c2cnn(CCC(F)(F)F)c2)C[C@H](C(N)=O)O1 ZINC000182538946 437353381 /nfs/dbraw/zinc/35/33/81/437353381.db2.gz YJDXKUNCIOKMRH-PSASIEDQSA-N 0 0 334.298 0.550 10 0 ECAERN COCC(=O)NC1CN(C(=O)Cc2c(Cl)cccc2OC)C1 ZINC000185257198 437431999 /nfs/dbraw/zinc/43/19/99/437431999.db2.gz FFYVSDTUUOCQHU-UHFFFAOYSA-N 0 0 326.780 0.865 10 0 ECAERN COCC(=O)NC1CN(C(=O)Cc2cc3ccccc3[nH]c2=O)C1 ZINC000186320468 437470187 /nfs/dbraw/zinc/47/01/87/437470187.db2.gz IPYIDMFYAHMFTC-UHFFFAOYSA-N 0 0 329.356 0.044 10 0 ECAERN C[C@@H]1CN(C(=O)c2cc(OC(F)F)n(C)n2)C[C@@H]1N1CCOCC1 ZINC000185712005 437448885 /nfs/dbraw/zinc/44/88/85/437448885.db2.gz JGFPVMQQPYJIHT-PWSUYJOCSA-N 0 0 344.362 0.814 10 0 ECAERN O=C(C(=O)N1CCc2c1cccc2F)N1CC[C@H](N2CCOCC2)C1 ZINC000185698757 437450000 /nfs/dbraw/zinc/45/00/00/437450000.db2.gz NTZJERPSPMDLTJ-ZDUSSCGKSA-N 0 0 347.390 0.648 10 0 ECAERN CC(C)c1nnc2n1C[C@H](NC(=O)N1CCN(C)C(=O)[C@H]1C)CC2 ZINC000187782821 437516872 /nfs/dbraw/zinc/51/68/72/437516872.db2.gz QQHSMTTYSQZFPR-VXGBXAGGSA-N 0 0 334.424 0.588 10 0 ECAERN CC(C)CC(=O)N[C@@H](C(=O)N1CCN(CCO)[C@H](C)C1)C(C)C ZINC000188777336 437571333 /nfs/dbraw/zinc/57/13/33/437571333.db2.gz MDGONXKLUSTGCM-GDBMZVCRSA-N 0 0 327.469 0.698 10 0 ECAERN CCn1cc([C@H]2CN(C(=O)NCCNC(=O)C(C)C)CCO2)cn1 ZINC000190493930 437625681 /nfs/dbraw/zinc/62/56/81/437625681.db2.gz FBADBBOXXHJTKW-CQSZACIVSA-N 0 0 337.424 0.758 10 0 ECAERN CC(=O)NC1CN(C(=O)C(=O)Nc2ccn(Cc3ccccc3)n2)C1 ZINC000191340305 437652212 /nfs/dbraw/zinc/65/22/12/437652212.db2.gz UGHNIBRXOGNLSB-UHFFFAOYSA-N 0 0 341.371 0.217 10 0 ECAERN Cc1cc(N2CCC[C@@H](NC(=O)Nc3cnns3)C2=O)n(C)n1 ZINC000192373249 437674033 /nfs/dbraw/zinc/67/40/33/437674033.db2.gz YNRVTTZOFPODRI-SECBINFHSA-N 0 0 335.393 0.897 10 0 ECAERN CO[C@H]1C[C@H](C(=O)N[C@@H]2CCO[C@@H](C(C)C)C2)N(S(C)(=O)=O)C1 ZINC000370497348 437794931 /nfs/dbraw/zinc/79/49/31/437794931.db2.gz BAJQKOGNTOFXGH-XJFOESAGSA-N 0 0 348.465 0.355 10 0 ECAERN Cn1cc([C@H]2[C@@H](C(=O)N3C[C@@H](O)C(C)(C)C3)CCC(=O)N2C)cn1 ZINC000365794632 437971961 /nfs/dbraw/zinc/97/19/61/437971961.db2.gz KNQCXUQZIYARRC-GUTXKFCHSA-N 0 0 334.420 0.559 10 0 ECAERN C[C@H](O)C[C@H]1COCCN1C(=O)N[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000366467385 438079176 /nfs/dbraw/zinc/07/91/76/438079176.db2.gz SJPQLVFMFFTNJO-IGQOVBAYSA-N 0 0 348.465 0.524 10 0 ECAERN CC(C)(C)OC(=O)N1CC[C@H](Nc2nc(N)nc(Cl)c2N)C1 ZINC000575434363 438749356 /nfs/dbraw/zinc/74/93/56/438749356.db2.gz RGFWRHIEPAKVBJ-ZETCQYMHSA-N 0 0 328.804 1.138 10 0 ECAERN O=C(NC[C@@H]1C[C@H](F)CN1Cc1cncnc1)c1cncc(O)c1 ZINC000583621425 439487973 /nfs/dbraw/zinc/48/79/73/439487973.db2.gz HYKPDJHQYFUQBZ-KBPBESRZSA-N 0 0 331.351 0.920 10 0 ECAERN CNC(=O)c1ccc(NC[C@@H]2OCCN(C)[C@H]2c2ccccc2)nn1 ZINC000583617540 439488312 /nfs/dbraw/zinc/48/83/12/439488312.db2.gz PRFBOOJBKPWJOK-RDJZCZTQSA-N 0 0 341.415 1.320 10 0 ECAERN O=C(CN1CCC[C@@](O)(c2cn[nH]n2)C1)NCc1ccc(F)cc1 ZINC000583618062 439488504 /nfs/dbraw/zinc/48/85/04/439488504.db2.gz ZGKQTWDEFNLDBZ-INIZCTEOSA-N 0 0 333.367 0.544 10 0 ECAERN CN(CCO)C(=O)CN1Cc2ccc(Br)cc2C1=O ZINC000584625771 439605435 /nfs/dbraw/zinc/60/54/35/439605435.db2.gz OVMWYTJOGXIMFE-UHFFFAOYSA-N 0 0 327.178 0.856 10 0 ECAERN CCOC(=O)c1ccc([C@H]2COCCN(S(N)(=O)=O)C2)cc1 ZINC000616664650 439820648 /nfs/dbraw/zinc/82/06/48/439820648.db2.gz XVPBEDMHTSDBJR-CYBMUJFWSA-N 0 0 328.390 0.483 10 0 ECAERN NC(=O)c1ccc([C@@H]2c3ccccc3CCN2S(N)(=O)=O)cc1 ZINC000616689823 439820844 /nfs/dbraw/zinc/82/08/44/439820844.db2.gz HFETUAKREMJGKD-OAHLLOKOSA-N 0 0 331.397 0.937 10 0 ECAERN CCN1CCO[C@@H](CNC(=O)c2cc(C)on2)[C@@H]1c1cnn(C)c1 ZINC000618143510 440056806 /nfs/dbraw/zinc/05/68/06/440056806.db2.gz UAHIQEHRCOIWFV-GJZGRUSLSA-N 0 0 333.392 0.908 10 0 ECAERN NC(=O)c1cn([C@H]2CCN(c3ncccc3Br)C2)nn1 ZINC000643759380 440297388 /nfs/dbraw/zinc/29/73/88/440297388.db2.gz YHHIZWHRTRZEPL-QMMMGPOBSA-N 0 0 337.181 0.986 10 0 ECAERN C[N@@H+](CC(=O)[O-])C[C@@H]1CN(Cc2cccc3c2CCOC3)CCO1 ZINC000635018017 440732552 /nfs/dbraw/zinc/73/25/52/440732552.db2.gz XJYXZVDYBQLSJU-MRXNPFEDSA-N 0 0 334.416 0.977 10 0 ECAERN CCn1ccnc1CN1C(=O)N[C@@](C)(c2ccc(C(N)=O)cc2)C1=O ZINC000171424133 320514120 /nfs/dbraw/zinc/51/41/20/320514120.db2.gz KKUNIDCTAOTFNG-KRWDZBQOSA-N 0 0 341.371 0.969 10 0 ECAERN CN(C[C@@H](O)COCc1ccccc1)C(=O)[C@H]1CCN(C)C(=O)C1 ZINC000176567032 320519970 /nfs/dbraw/zinc/51/99/70/320519970.db2.gz ATGWMNLGCDIILE-JKSUJKDBSA-N 0 0 334.416 0.891 10 0 ECAERN NC(=O)[C@H]1COCCN1C[C@H](O)COc1ccc2ccccc2c1 ZINC000179740927 320523530 /nfs/dbraw/zinc/52/35/30/320523530.db2.gz YDLPLUADCYVZCN-DOTOQJQBSA-N 0 0 330.384 0.766 10 0 ECAERN CC[C@H](C)NC(=O)CCNC(=O)N1CCN(C[C@@H](O)CC)CC1 ZINC000184914854 320535419 /nfs/dbraw/zinc/53/54/19/320535419.db2.gz VHBIBURXOHBEIU-KBPBESRZSA-N 0 0 328.457 0.389 10 0 ECAERN O=C(C[C@H]1CCCCC(=O)N1)N1CCC[C@@](O)(Cn2ccnn2)C1 ZINC000328965860 320745355 /nfs/dbraw/zinc/74/53/55/320745355.db2.gz SJVGWSHMJAZODO-CJNGLKHVSA-N 0 0 335.408 0.921 10 0 ECAERN CC(C)[C@H]1N(Cc2nccn2S(=O)(=O)N(C)C)C[C@]12CCCO2 ZINC000329086375 320752481 /nfs/dbraw/zinc/75/24/81/320752481.db2.gz GUICXTWORJVQSL-HUUCEWRRSA-N 0 0 342.465 0.927 10 0 ECAERN C[C@]12CCCN1C(=O)N([C@@H]1CCCN(S(=O)(=O)C3CC3)C1)C2=O ZINC000329286240 320764247 /nfs/dbraw/zinc/76/42/47/320764247.db2.gz LZEDGLVFZRURGN-IAQYHMDHSA-N 0 0 341.433 0.760 10 0 ECAERN O=C(CCN1C(=O)CSc2ccccc21)N1C[C@H](O)C[C@@H]1CO ZINC000329356883 320768009 /nfs/dbraw/zinc/76/80/09/320768009.db2.gz HEYWVMKYFJXTFZ-VXGBXAGGSA-N 0 0 336.413 0.470 10 0 ECAERN CNS(=O)(=O)NC1CCN(Cc2nc3cccnc3s2)CC1 ZINC000329801153 320789851 /nfs/dbraw/zinc/78/98/51/320789851.db2.gz IVGQHHFSQHFAPQ-UHFFFAOYSA-N 0 0 341.462 0.710 10 0 ECAERN CN(Cc1nnnn1C)C(=O)c1cccc(CN2CCOCC2)c1 ZINC000329852425 320791654 /nfs/dbraw/zinc/79/16/54/320791654.db2.gz URISMNYFWZPRBX-UHFFFAOYSA-N 0 0 330.392 0.315 10 0 ECAERN Cc1cc(N2CCC[C@H](NC(=O)NC[C@@H]3CCCO3)C2=O)n(C)n1 ZINC000174034340 533896455 /nfs/dbraw/zinc/89/64/55/533896455.db2.gz ZYTNTLHWLMFULZ-STQMWFEESA-N 0 0 335.408 0.702 10 0 ECAERN Cc1cc(S(N)(=O)=O)cc(C(=O)N[C@@H]2CCc3ncnn3C2)c1C ZINC000132317973 534037727 /nfs/dbraw/zinc/03/77/27/534037727.db2.gz WPZVOJSRGORIEY-LLVKDONJSA-N 0 0 349.416 0.287 10 0 ECAERN C[C@H](C(=O)N[C@H]1CCc2ncnn2C1)n1nnc(-c2ccccc2)n1 ZINC000173373250 534295216 /nfs/dbraw/zinc/29/52/16/534295216.db2.gz GZMXSGZXPZCWHH-YPMHNXCESA-N 0 0 338.375 0.624 10 0 ECAERN O=C(NC[C@H]1OC[C@@H](NCc2ccccc2F)[C@@H]1O)c1ccncc1 ZINC000077265300 518200089 /nfs/dbraw/zinc/20/00/89/518200089.db2.gz KJWRACQVYXZSNM-ZACQAIPSSA-N 0 0 345.374 0.869 10 0 ECAERN Cn1nnc2cc(C(=O)N[C@@H]3CCCN(c4cccnn4)C3)cnc21 ZINC000183634987 534346890 /nfs/dbraw/zinc/34/68/90/534346890.db2.gz QHIKDAZOCITIJD-GFCCVEGCSA-N 0 0 338.375 0.552 10 0 ECAERN Cc1nc(CN2CCN(C(=O)NCC(=O)NCC3CC3)CC2)oc1C ZINC000183800350 534354055 /nfs/dbraw/zinc/35/40/55/534354055.db2.gz BYFCVQRUXLZEDV-UHFFFAOYSA-N 0 0 349.435 0.645 10 0 ECAERN OC[C@H]1CCCN1c1cc(N2CCC[C@H](n3cncn3)C2)ncn1 ZINC000173746924 534397180 /nfs/dbraw/zinc/39/71/80/534397180.db2.gz CSBHEKJRNLJNDP-UONOGXRCSA-N 0 0 329.408 0.871 10 0 ECAERN O=C(CN1CCC[C@H](n2cncn2)C1)NC(=O)NCC(F)(F)F ZINC000171702858 534533477 /nfs/dbraw/zinc/53/34/77/534533477.db2.gz PISXPPIRBKCBQD-VIFPVBQESA-N 0 0 334.302 0.303 10 0 ECAERN Cc1csc(=O)n1CCC(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000173837687 534768513 /nfs/dbraw/zinc/76/85/13/534768513.db2.gz KBXDFHYMUAXPQE-OCCSQVGLSA-N 0 0 339.461 0.787 10 0 ECAERN CC(=O)CCc1ccc(OC[C@H](O)CN2CC(NC(C)=O)C2)cc1 ZINC000191731938 526429150 /nfs/dbraw/zinc/42/91/50/526429150.db2.gz WSAHCQNBVKEJDP-QGZVFWFLSA-N 0 0 334.416 0.768 10 0 ECAERN CC(C)(C)S(=O)(=O)CC(=O)N1CCCN(c2cccnn2)CC1 ZINC000129437539 526595853 /nfs/dbraw/zinc/59/58/53/526595853.db2.gz XFXKMJSZPWKICD-UHFFFAOYSA-N 0 0 340.449 0.729 10 0 ECAERN CC(=O)NC1CN(C(=O)C(=O)Nc2ccc(C)c3ncccc23)C1 ZINC000191348549 526705526 /nfs/dbraw/zinc/70/55/26/526705526.db2.gz GXKJPDZMURYULI-UHFFFAOYSA-N 0 0 326.356 0.829 10 0 ECAERN CC(=O)NC1CN(C(=O)NCCc2cccc(C(=O)N(C)C)c2)C1 ZINC000190207600 526708148 /nfs/dbraw/zinc/70/81/48/526708148.db2.gz WDMZREKTUYMPLP-UHFFFAOYSA-N 0 0 332.404 0.461 10 0 ECAERN CC(=O)NC1CN(C(=O)N[C@H](CN2CCCC2=O)c2ccccc2)C1 ZINC000189824208 526711335 /nfs/dbraw/zinc/71/13/35/526711335.db2.gz FTNNZWZDUYQIMS-MRXNPFEDSA-N 0 0 344.415 0.880 10 0 ECAERN CC(C)C(=O)NCCNC(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000181401404 527504837 /nfs/dbraw/zinc/50/48/37/527504837.db2.gz CSGYMTDHJPNISM-GFCCVEGCSA-N 0 0 336.440 0.788 10 0 ECAERN CCN(C)C(=O)CNC(=O)N(C)[C@H]1CCCN(c2cccnn2)C1 ZINC000186193570 527710188 /nfs/dbraw/zinc/71/01/88/527710188.db2.gz RVRMFIOMAWAZEK-ZDUSSCGKSA-N 0 0 334.424 0.565 10 0 ECAERN CCCC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2cnn(CC)c2)C1 ZINC000129232794 527939856 /nfs/dbraw/zinc/93/98/56/527939856.db2.gz HTSPGSYXQWQBGC-GFCCVEGCSA-N 0 0 335.408 0.749 10 0 ECAERN CC(C)c1nc2c(n1C)CCN(C(=O)NCCS(C)(=O)=O)C2 ZINC000171870525 528327359 /nfs/dbraw/zinc/32/73/59/528327359.db2.gz WJSKKZVIWAFIKN-UHFFFAOYSA-N 0 0 328.438 0.656 10 0 ECAERN CC(C)c1nnc2n1C[C@H](NC(=O)c1cnc3c(c1)nnn3C)CC2 ZINC000183555208 528481318 /nfs/dbraw/zinc/48/13/18/528481318.db2.gz RPGDUSAYNOWRNQ-LLVKDONJSA-N 0 0 340.391 0.823 10 0 ECAERN CC(C)n1nccc1NC(=O)C(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188014156 528678665 /nfs/dbraw/zinc/67/86/65/528678665.db2.gz YATXPUCMKVEDJV-UHFFFAOYSA-N 0 0 333.392 0.530 10 0 ECAERN CCn1cc(CN2CCCN(C(=O)CCOCCOC)CC2)cn1 ZINC000105830751 545738065 /nfs/dbraw/zinc/73/80/65/545738065.db2.gz YAGQDHOJLUZDJK-UHFFFAOYSA-N 0 0 338.452 0.990 10 0 ECAERN CCc1c(C(=O)NC[C@H](O)CN2CCOCC2)cnn1CC(C)C ZINC000132679207 545792667 /nfs/dbraw/zinc/79/26/67/545792667.db2.gz QPNQIFJCFCXUBI-AWEZNQCLSA-N 0 0 338.452 0.524 10 0 ECAERN CNC(=O)[C@H](NC(=O)CN(CCc1ccccc1)C(C)=O)C(C)C ZINC000179284212 545881886 /nfs/dbraw/zinc/88/18/86/545881886.db2.gz AVOLLZFCCZBANM-QGZVFWFLSA-N 0 0 333.432 0.964 10 0 ECAERN C[C@H](N[C@@H](CO)c1ccccc1)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000182897072 545889666 /nfs/dbraw/zinc/88/96/66/545889666.db2.gz MYIBCZZEYWEWHK-UBHSHLNASA-N 0 0 326.418 0.001 10 0 ECAERN Cc1nc2c([nH]1)C[C@H](C(=O)NCc1ccc(S(N)(=O)=O)cc1)CC2 ZINC000220609870 545922122 /nfs/dbraw/zinc/92/21/22/545922122.db2.gz GEDLBJKUHPYXDY-GFCCVEGCSA-N 0 0 348.428 0.787 10 0 ECAERN CC(C)(C)OC(=O)N1CC[C@@]2(CC(=O)O[C@H]2CS(N)(=O)=O)C1 ZINC000757224642 579460240 /nfs/dbraw/zinc/46/02/40/579460240.db2.gz PVGIUIBJVYAASA-TVQRCGJNSA-N 0 0 334.394 0.218 10 0 ECAERN CO[C@@H]1CCCCN(CC(=O)N2CCC(c3nncn3C)CC2)C1=O ZINC000888076056 586245492 /nfs/dbraw/zinc/24/54/92/586245492.db2.gz SSGKYSKBVZGQPG-CQSZACIVSA-N 0 0 349.435 0.549 10 0 ECAERN Cn1[nH]cnc1=NC(=O)C[C@@]1(O)CCC[N@H+](Cc2ccccc2)C1 ZINC000896993408 586280194 /nfs/dbraw/zinc/28/01/94/586280194.db2.gz PWFJNGDBORXMMQ-KRWDZBQOSA-N 0 0 329.404 0.593 10 0 ECAERN Cn1c2[nH]c(N3CC[C@@H](Oc4ccccn4)C3)nc2c(=O)n(C)c1=O ZINC000892936698 586301905 /nfs/dbraw/zinc/30/19/05/586301905.db2.gz MJSLDAZTNUWDQX-SNVBAGLBSA-N 0 0 342.359 0.013 10 0 ECAERN O=C(c1cn([C@@H]2COC[C@H]2O)nn1)N1CCOc2cccc(F)c2C1 ZINC000888093633 586348458 /nfs/dbraw/zinc/34/84/58/586348458.db2.gz MHDCTPZNQQHAFQ-ZIAGYGMSSA-N 0 0 348.334 0.384 10 0 ECAERN O=C(NCC1Cc2ccccc2C1)c1cn([C@@H]2COC[C@H]2O)nn1 ZINC000888093830 586348507 /nfs/dbraw/zinc/34/85/07/586348507.db2.gz WKZXKABAVKITJK-HZPDHXFCSA-N 0 0 328.372 0.355 10 0 ECAERN CN(C)c1nc([C@@H]2CCN(C(=O)Cc3ccnn3C)C2)cc(=O)[nH]1 ZINC000888094800 586348980 /nfs/dbraw/zinc/34/89/80/586348980.db2.gz COSKFQQSIRMPJA-LLVKDONJSA-N 0 0 330.392 0.540 10 0 ECAERN CCn1nc(C)c(CNC(=O)c2coc(CN3CC[C@@H](OC)C3)n2)n1 ZINC000888095609 586349484 /nfs/dbraw/zinc/34/94/84/586349484.db2.gz UIILUXCLXNKJAW-GFCCVEGCSA-N 0 0 348.407 0.745 10 0 ECAERN COc1cccc(CN(C)C(=O)c2coc(CN3CC[C@@H](O)C3)n2)n1 ZINC000888095859 586349599 /nfs/dbraw/zinc/34/95/99/586349599.db2.gz ZYRQJCSXBWKHPM-CYBMUJFWSA-N 0 0 346.387 0.917 10 0 ECAERN O=S(=O)(N[C@@H]1C[C@@H](O)C12CCOCC2)c1ccc2c(c1)COC2 ZINC000888098946 586349841 /nfs/dbraw/zinc/34/98/41/586349841.db2.gz NXDAJHOCJNUVJX-HUUCEWRRSA-N 0 0 339.413 0.925 10 0 ECAERN Cn1cc([C@@H]2[C@H](C(=O)Nc3ccc(CO)cc3)OCC(=O)N2C)cn1 ZINC000898592051 586433953 /nfs/dbraw/zinc/43/39/53/586433953.db2.gz YFRNMEUPTRLYRP-HZPDHXFCSA-N 0 0 344.371 0.449 10 0 ECAERN O=C(CN1CCNC(=O)C1)N1C[C@H](O)C[C@H]1c1ccc(F)c(F)c1 ZINC000901247713 586703493 /nfs/dbraw/zinc/70/34/93/586703493.db2.gz WIECLYGYVOINRX-RISCZKNCSA-N 0 0 339.342 0.031 10 0 ECAERN CCn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2cc(C)cc(=O)[nH]2)cn1 ZINC000818598058 587439804 /nfs/dbraw/zinc/43/98/04/587439804.db2.gz BIZUMQRPIONCHU-UONOGXRCSA-N 0 0 332.360 0.888 10 0 ECAERN CC(C)Nc1ncnc2c1ncn2CN(C)CC(=O)N1CCOCC1 ZINC000111163569 589537930 /nfs/dbraw/zinc/53/79/30/589537930.db2.gz UXKCEIUBZZZGDD-UHFFFAOYSA-N 0 0 347.423 0.395 10 0 ECAERN COC(=O)c1ncn(CN2CCN(Cc3cnc(C)s3)CC2)n1 ZINC000111165208 589538034 /nfs/dbraw/zinc/53/80/34/589538034.db2.gz CJLLBLLJNHZCPO-UHFFFAOYSA-N 0 0 336.421 0.605 10 0 ECAERN CCn1cc(O[C@@H]2CN(CC3CCS(=O)(=O)CC3)C[C@H]2O)cn1 ZINC000859392176 589830473 /nfs/dbraw/zinc/83/04/73/589830473.db2.gz SWUYCDMGZLYCCS-HUUCEWRRSA-N 0 0 343.449 0.152 10 0 ECAERN CCn1[nH]c(C)nc1=NC(=O)NC[C@@H]1CCO[C@H]1c1ccnn1C ZINC000888536736 590033345 /nfs/dbraw/zinc/03/33/45/590033345.db2.gz HLCCVOZJJWQQII-WCQYABFASA-N 0 0 333.396 0.661 10 0 ECAERN C[C@@H]1CN(Cn2[nH]c(-c3ccccn3)nc2=S)C[C@H](C(N)=O)O1 ZINC000120166340 590092973 /nfs/dbraw/zinc/09/29/73/590092973.db2.gz LZNYKNVRPAECMB-MWLCHTKSSA-N 0 0 334.405 0.535 10 0 ECAERN Cc1nn(C)cc1CC(=O)N1CC[C@@H](c2cc(=O)[nH]c(N(C)C)n2)C1 ZINC000864835657 590109117 /nfs/dbraw/zinc/10/91/17/590109117.db2.gz MLYYYLQYMVGDBF-GFCCVEGCSA-N 0 0 344.419 0.849 10 0 ECAERN C[C@@H]1CN(Cn2ncn(CC(F)(F)F)c2=S)C[C@@H](C(N)=O)O1 ZINC000120287784 590116880 /nfs/dbraw/zinc/11/68/80/590116880.db2.gz GSMJKLVVIPMBTH-SFYZADRCSA-N 0 0 339.343 0.508 10 0 ECAERN NC(=O)[C@@]1(N2CCN(Cc3ccnn3C3CCCC3)CC2)CCOC1 ZINC000886026752 590786850 /nfs/dbraw/zinc/78/68/50/590786850.db2.gz WKPSJMZKUJHDDC-GOSISDBHSA-N 0 0 347.463 0.760 10 0 ECAERN Cc1nccn1CC(=O)NC[C@H]1CCC(=O)N(C)[C@@H]1c1cnn(C)c1 ZINC000886026657 590786958 /nfs/dbraw/zinc/78/69/58/590786958.db2.gz BZEORUYMKQNTCP-DYVFJYSZSA-N 0 0 344.419 0.651 10 0 ECAERN COc1ncc(Cl)c(N2CC[C@@H]3OCCN(C(C)=O)[C@H]3C2)n1 ZINC000886031753 590787845 /nfs/dbraw/zinc/78/78/45/590787845.db2.gz SDERJHNUHLCCKS-RYUDHWBXSA-N 0 0 326.784 0.965 10 0 ECAERN CC(=O)N1CC(C(=O)N[C@@H]2CC[C@H](C(F)(F)F)N(C(C)=O)C2)C1 ZINC000886085244 590793910 /nfs/dbraw/zinc/79/39/10/590793910.db2.gz IJLJSUYCCOGTAS-VXGBXAGGSA-N 0 0 335.326 0.523 10 0 ECAERN O=C([C@@H]1Cc2ccccc2C(=O)O1)N1CC(c2cc(CO)on2)C1 ZINC000886085559 590793994 /nfs/dbraw/zinc/79/39/94/590793994.db2.gz JVIWZBGMAXZKNW-HNNXBMFYSA-N 0 0 328.324 0.874 10 0 ECAERN CO[C@H]1CCCCN(CC(=O)N2CCC3(CNC(=O)C3)CC2)C1=O ZINC000886088069 590794073 /nfs/dbraw/zinc/79/40/73/590794073.db2.gz BFQZNNWXKJSGCK-ZDUSSCGKSA-N 0 0 337.420 0.143 10 0 ECAERN CCS(=O)(=O)NC[C@H]1CCC(=O)N(C2CC2)[C@@H]1c1nccn1C ZINC000886094036 590794765 /nfs/dbraw/zinc/79/47/65/590794765.db2.gz OTFSYUKOZWMGAR-RISCZKNCSA-N 0 0 340.449 0.802 10 0 ECAERN CO[C@@H]1CC(=O)N(CN2CCN(Cc3cnn(C(C)(C)C)c3)CC2)C1 ZINC000189133084 611499350 /nfs/dbraw/zinc/49/93/50/611499350.db2.gz NGBFZMDZZFUSLV-MRXNPFEDSA-N 0 0 349.479 0.961 10 0 ECAERN Cc1c(NC(=O)[C@@H](C)NC2=NS(=O)(=O)c3ccccc32)cnn1C ZINC000187678052 608596919 /nfs/dbraw/zinc/59/69/19/608596919.db2.gz OADQAFLDLCDCHT-SECBINFHSA-N 0 0 347.400 0.794 10 0 ECAERN CCCN1C(=O)C(=O)N(CN2CCC[C@H]2Cn2ccnc2C)C1=O ZINC000176083025 608772296 /nfs/dbraw/zinc/77/22/96/608772296.db2.gz COZUWCVIXSHHSZ-ZDUSSCGKSA-N 0 0 333.392 0.814 10 0 ECAERN O=C1CC2(CN1CN1CCO[C@H](Cn3cccn3)C1)CCOCC2 ZINC000176767279 608864663 /nfs/dbraw/zinc/86/46/63/608864663.db2.gz AHHZXLFYQGGWBO-HNNXBMFYSA-N 0 0 334.420 0.571 10 0 ECAERN Cc1occc1C(=O)NCCCc1nc2c([nH]1)n(C)c(=O)n(C)c2=O ZINC000222488243 609081452 /nfs/dbraw/zinc/08/14/52/609081452.db2.gz QIVOCQHGSUQRBS-UHFFFAOYSA-N 0 0 345.359 0.224 10 0 ECAERN Cc1noc(-c2cncn(CCC(=O)NCCc3ccco3)c2=O)n1 ZINC000222841382 609123532 /nfs/dbraw/zinc/12/35/32/609123532.db2.gz UZPMXYPCFFNNCT-UHFFFAOYSA-N 0 0 343.343 0.944 10 0 ECAERN C[C@@H](O)CNC(=O)CCn1c2ccccc2nc(N2CCCC2)c1=O ZINC000222885881 609705689 /nfs/dbraw/zinc/70/56/89/609705689.db2.gz BVWYVMIKGMGAGM-CYBMUJFWSA-N 0 0 344.415 0.884 10 0 ECAERN C[C@@H](O)CNC(=O)c1cnc(-n2cnnc2)c(Br)c1 ZINC000223071028 609707171 /nfs/dbraw/zinc/70/71/71/609707171.db2.gz BJHMOGFGIGDRRB-SSDOTTSWSA-N 0 0 326.154 0.535 10 0 ECAERN O=C(COc1ccc(-n2cnnn2)cc1)NCC1(CO)CCCC1 ZINC000223258050 609708988 /nfs/dbraw/zinc/70/89/88/609708988.db2.gz JRSKOOWDJVNPBA-UHFFFAOYSA-N 0 0 331.376 0.710 10 0 ECAERN O=C1NC(C2CC2)(C2CC2)C(=O)N1CN1CC[C@@H](N2CCOCC2)C1 ZINC000172959951 609777101 /nfs/dbraw/zinc/77/71/01/609777101.db2.gz JEKFXUTVEVJCRM-OAHLLOKOSA-N 0 0 348.447 0.461 10 0 ECAERN CNC(=O)NCCNC(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1ccccc1 ZINC000910899986 609777454 /nfs/dbraw/zinc/77/74/54/609777454.db2.gz ZQATZPNPCKDZMJ-DZGCQCFKSA-N 0 0 332.404 0.641 10 0 ECAERN COCC(=O)NC1CN(C(=O)NCc2ccc(-n3ccnc3)cc2)C1 ZINC000188529557 611714911 /nfs/dbraw/zinc/71/49/11/611714911.db2.gz FWWXPQNWKLUNFZ-UHFFFAOYSA-N 0 0 343.387 0.529 10 0 ECAERN CCn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2nccnc2Cl)cn1 ZINC000911385054 609861420 /nfs/dbraw/zinc/86/14/20/609861420.db2.gz LDCNHGVFJUAFJZ-WDEREUQCSA-N 0 0 337.767 0.923 10 0 ECAERN CCO[C@]1(C(=O)N[C@@H]2C[C@@H](N3CCOCC3)C2(C)C)CCOC1 ZINC000911843763 609915466 /nfs/dbraw/zinc/91/54/66/609915466.db2.gz NJZHRKCHTNSGGW-CKEIUWERSA-N 0 0 326.437 0.798 10 0 ECAERN CC1(C)CC(=O)c2cc(C(=O)N3CCOC[C@H]3CO)c(=O)[nH]c2C1 ZINC000912421724 609957323 /nfs/dbraw/zinc/95/73/23/609957323.db2.gz JUGOILTUAMIXKV-SNVBAGLBSA-N 0 0 334.372 0.776 10 0 ECAERN O=C(c1nc(N2CCCC2)ncc1Cl)N1CCOC[C@H]1CO ZINC000912422624 609957486 /nfs/dbraw/zinc/95/74/86/609957486.db2.gz QIKZLUUHIIVOTR-SNVBAGLBSA-N 0 0 326.784 0.564 10 0 ECAERN COCc1nn(CN2CCN(Cc3cnc(C)s3)CC2)c(=O)o1 ZINC000119687675 611326223 /nfs/dbraw/zinc/32/62/23/611326223.db2.gz OOOHJKFNBGJKCF-UHFFFAOYSA-N 0 0 339.421 0.523 10 0 ECAERN CCOC1CC(CC(=O)N2CCN(c3ccc4nncn4n3)CC2)C1 ZINC000191758793 611869017 /nfs/dbraw/zinc/86/90/17/611869017.db2.gz WLFVRJZTHLQUQO-UHFFFAOYSA-N 0 0 344.419 0.978 10 0 ECAERN CC(=O)N[C@H]1CCCN(C(=O)C2=C(C)N(C)c3ncnn3[C@@H]2C)C1 ZINC000192166044 611923626 /nfs/dbraw/zinc/92/36/26/611923626.db2.gz GHIDLCBLQWSOQI-YPMHNXCESA-N 0 0 332.408 0.690 10 0 ECAERN CC(=O)c1ccc(N2CCN(C(=O)[C@@H]3CNC(=O)C3)CC2)c(F)c1 ZINC000194861792 612285582 /nfs/dbraw/zinc/28/55/82/612285582.db2.gz GAPJHZFVZGIZDM-ZDUSSCGKSA-N 0 0 333.363 0.813 10 0 ECAERN CC(C)C[C@H]1NC(=O)N(CN2CCO[C@@H](Cn3cccn3)C2)C1=O ZINC000247028649 612713768 /nfs/dbraw/zinc/71/37/68/612713768.db2.gz KBBNBIZJOAZSHG-ZIAGYGMSSA-N 0 0 335.408 0.508 10 0 ECAERN COCCc1noc(CN(C)CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)n1 ZINC000246129936 612763292 /nfs/dbraw/zinc/76/32/92/612763292.db2.gz USMWYODYIQGWLZ-VXGBXAGGSA-N 0 0 334.376 0.599 10 0 ECAERN C[C@@]1(C2CC2)NC(=O)N(CN2CCO[C@@H](Cn3cccn3)C2)C1=O ZINC000247103301 612800961 /nfs/dbraw/zinc/80/09/61/612800961.db2.gz ONHRFQPEUVVZNC-CJNGLKHVSA-N 0 0 333.392 0.262 10 0 ECAERN COC(=O)CN(C)C(=O)C[C@@H]1C(=O)NCCN1Cc1cccs1 ZINC000055132918 214278269 /nfs/dbraw/zinc/27/82/69/214278269.db2.gz YNGOQUWHFXKWJY-GFCCVEGCSA-N 0 0 339.417 0.070 10 0 ECAERN Cc1cc(N2CCC[C@H](NS(=O)(=O)c3cccnc3)C2=O)n(C)n1 ZINC000174040450 231107128 /nfs/dbraw/zinc/10/71/28/231107128.db2.gz LNHKSOOYSYVAII-ZDUSSCGKSA-N 0 0 349.416 0.597 10 0 ECAERN Cc1cc(N2CCC[C@@H](NC(=O)NCC3CCOCC3)C2=O)n(C)n1 ZINC000174489081 231221764 /nfs/dbraw/zinc/22/17/64/231221764.db2.gz JTBUGRPSVMDNRW-CQSZACIVSA-N 0 0 349.435 0.950 10 0 ECAERN CCc1cnc(NC(=O)C(=O)N2CCO[C@@H](Cn3cccn3)C2)s1 ZINC000190597789 529657114 /nfs/dbraw/zinc/65/71/14/529657114.db2.gz MYIJNIVHAUWXSR-LLVKDONJSA-N 0 0 349.416 0.768 10 0 ECAERN CCc1n[nH]c(=O)c(CNC(=O)NCCn2cc(C)cn2)c1CC ZINC000158701134 529696428 /nfs/dbraw/zinc/69/64/28/529696428.db2.gz LKAUNDURSWPWBN-UHFFFAOYSA-N 0 0 332.408 0.899 10 0 ECAERN O=C(NCc1cccnc1-n1cccn1)N[C@@H]1CCc2ncnn2C1 ZINC000171867516 295696843 /nfs/dbraw/zinc/69/68/43/295696843.db2.gz RXJHBAHMBWSGAG-CYBMUJFWSA-N 0 0 338.375 0.673 10 0 ECAERN CN1CCO[C@@H](CNC(=O)NCCOc2ccc(Cl)cn2)C1 ZINC000158960460 529783862 /nfs/dbraw/zinc/78/38/62/529783862.db2.gz WQJCSVLBEAFFLA-LBPRGKRZSA-N 0 0 328.800 0.744 10 0 ECAERN CNC(=O)CCCC(=O)NC[C@@H]1CCCN1c1cc(NC)ncn1 ZINC000154852965 529848253 /nfs/dbraw/zinc/84/82/53/529848253.db2.gz QJRGQAMEZRAWNM-LBPRGKRZSA-N 0 0 334.424 0.520 10 0 ECAERN Cc1ccncc1NC(=O)C(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000177652748 231949154 /nfs/dbraw/zinc/94/91/54/231949154.db2.gz XBBSVILRVSLLFU-ZDUSSCGKSA-N 0 0 329.360 0.453 10 0 ECAERN O=S(=O)(Cc1cn2cc(Cl)cc(Cl)c2n1)C[C@H](O)CO ZINC000177669995 231953689 /nfs/dbraw/zinc/95/36/89/231953689.db2.gz WOHLMWZYWWRQGN-SECBINFHSA-N 0 0 339.200 0.909 10 0 ECAERN CNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCCn3ncnc32)cc1 ZINC000175823102 530028723 /nfs/dbraw/zinc/02/87/23/530028723.db2.gz RRBSFPZKGVENRV-LBPRGKRZSA-N 0 0 335.389 0.451 10 0 ECAERN O=C(CNC(=O)c1cccnc1)N1CCC[C@@H](Cn2cncn2)C1 ZINC000178407093 232157814 /nfs/dbraw/zinc/15/78/14/232157814.db2.gz NYZMAILCLFRCCR-CYBMUJFWSA-N 0 0 328.376 0.342 10 0 ECAERN O=C(CCn1cncn1)N1CCc2ncnc(N3CC=CC3)c2CC1 ZINC000102761049 219228382 /nfs/dbraw/zinc/22/83/82/219228382.db2.gz BDUZZZYWNPHEFS-UHFFFAOYSA-N 0 0 339.403 0.462 10 0 ECAERN CN1C(=O)c2ccc(C(=O)N[C@@H]3CCCn4ncnc43)cc2C1=O ZINC000177549209 282666511 /nfs/dbraw/zinc/66/65/11/282666511.db2.gz FLIJMJMXGUBRGN-GFCCVEGCSA-N 0 0 325.328 0.769 10 0 ECAERN NC(=S)CN1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000104061035 219343482 /nfs/dbraw/zinc/34/34/82/219343482.db2.gz CSSPRNLQBIAMEF-UHFFFAOYSA-N 0 0 339.895 0.994 10 0 ECAERN CCn1c2ccc(S(=O)(=O)N3CCN(C=O)CC3)cc2oc1=O ZINC000040640272 213362995 /nfs/dbraw/zinc/36/29/95/213362995.db2.gz GMUBDHHNPXOINT-UHFFFAOYSA-N 0 0 339.373 0.077 10 0 ECAERN COCCCNC(=O)Cn1c(CCNC(C)=O)nc2ccccc21 ZINC000040299023 213290168 /nfs/dbraw/zinc/29/01/68/213290168.db2.gz RTPLCXKBYBIQLH-UHFFFAOYSA-N 0 0 332.404 0.868 10 0 ECAERN COC(=O)CNC(=O)CCN1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000111212750 291086455 /nfs/dbraw/zinc/08/64/55/291086455.db2.gz UHRPDHOLZFUBGE-ZDUSSCGKSA-N 0 0 349.435 0.821 10 0 ECAERN Cc1cc(C(=O)N2C[C@@H](C)O[C@H](C(N)=O)C2)nc(C(F)(F)F)n1 ZINC000186389675 235897298 /nfs/dbraw/zinc/89/72/98/235897298.db2.gz ZIWBSFVNPLOCRX-APPZFPTMSA-N 0 0 332.282 0.519 10 0 ECAERN O=C(NC1CN(C(=O)N[C@@H]2CCN(c3ccccn3)C2)C1)C1CC1 ZINC000187697137 236279634 /nfs/dbraw/zinc/27/96/34/236279634.db2.gz APMAFTLHONJUBG-CYBMUJFWSA-N 0 0 329.404 0.580 10 0 ECAERN COCC(=O)NC1CN(C(=O)NCc2cnn(-c3ccccc3)c2)C1 ZINC000188282771 236502423 /nfs/dbraw/zinc/50/24/23/236502423.db2.gz CBJAECIJNXDREU-UHFFFAOYSA-N 0 0 343.387 0.529 10 0 ECAERN CC(=O)N1CCN(S(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)CC1 ZINC000033919224 212970633 /nfs/dbraw/zinc/97/06/33/212970633.db2.gz QDBUNGDKZMMQFB-BBRMVZONSA-N 0 0 342.461 0.876 10 0 ECAERN CCC[C@@H]([NH2+]CC(=O)NCCCN1CCCCCC1=O)C(=O)[O-] ZINC000262283940 283560359 /nfs/dbraw/zinc/56/03/59/283560359.db2.gz LPVJJKFQQOMUHP-CYBMUJFWSA-N 0 0 327.425 0.738 10 0 ECAERN C[C@H](C(=O)N(C)C)S(=O)(=O)N1CCC(Cn2cccn2)CC1 ZINC000193937830 240368110 /nfs/dbraw/zinc/36/81/10/240368110.db2.gz XPWLRUNTPOILNB-GFCCVEGCSA-N 0 0 328.438 0.402 10 0 ECAERN CCc1nc2nnc3c(ccn(NC(=O)c4ccccc4)c3=O)n2n1 ZINC000072466729 216247784 /nfs/dbraw/zinc/24/77/84/216247784.db2.gz ADFAFLCBCRRRIT-UHFFFAOYSA-N 0 0 335.327 0.781 10 0 ECAERN CCn1cc([C@H]2CN(C(=O)[C@H](C)CS(C)(=O)=O)CCO2)cn1 ZINC000191750659 239282637 /nfs/dbraw/zinc/28/26/37/239282637.db2.gz AAQMWYNBQKKYFM-DGCLKSJQSA-N 0 0 329.422 0.484 10 0 ECAERN C[C@H](c1ccccc1)[C@](C)(O)C(=O)NC[C@H](O)CN1CCOCC1 ZINC000132345574 223323013 /nfs/dbraw/zinc/32/30/13/223323013.db2.gz UJBVDGHFJYXWMA-HFTRVMKXSA-N 0 0 336.432 0.350 10 0 ECAERN Cc1nc2c(cnn2C)c(N2CCN(Cc3ccnc(N)c3)CC2)n1 ZINC000193338092 240118003 /nfs/dbraw/zinc/11/80/03/240118003.db2.gz ZYJCNNKQNUVGAY-UHFFFAOYSA-N 0 0 338.419 0.971 10 0 ECAERN O=C(Nc1nc2c(s1)CCCC2)C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000193482926 240181623 /nfs/dbraw/zinc/18/16/23/240181623.db2.gz FBZHULCEQOZAIJ-UHFFFAOYSA-N 0 0 348.428 0.697 10 0 ECAERN Cc1cnn(CCNC(=O)N2CCC(C)(C)S(=O)(=O)CC2)c1 ZINC000193861498 240338531 /nfs/dbraw/zinc/33/85/31/240338531.db2.gz GROQRGOHAOIHIL-UHFFFAOYSA-N 0 0 328.438 0.800 10 0 ECAERN CCC[C@H]([NH2+][C@@H](C)C(=O)N1CCN(c2ncccn2)CC1)C(=O)[O-] ZINC000262264204 283933518 /nfs/dbraw/zinc/93/35/18/283933518.db2.gz HAQYSPUIIGWLNH-STQMWFEESA-N 0 0 335.408 0.357 10 0 ECAERN C[N@@H+](CC(=O)[O-])C[C@H]1CN(C(=O)Cc2cc(F)ccc2F)CCO1 ZINC000262899750 245239088 /nfs/dbraw/zinc/23/90/88/245239088.db2.gz HZGUSJSYZBNTBA-ZDUSSCGKSA-N 0 0 342.342 0.751 10 0 ECAERN C[N@@H+](CC(=O)[O-])C[C@@H]1CN(C(=O)COCc2ccccc2)CCO1 ZINC000262919057 245250724 /nfs/dbraw/zinc/25/07/24/245250724.db2.gz KTVANUBXDHMVBR-OAHLLOKOSA-N 0 0 336.388 0.447 10 0 ECAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)C3=NN(C)C(=O)CC3)CCO2)n1 ZINC000110906628 220078753 /nfs/dbraw/zinc/07/87/53/220078753.db2.gz LBLPOIKLQLBPOW-ZDUSSCGKSA-N 0 0 333.392 0.336 10 0 ECAERN O=C(CN1CCCN(c2cccnn2)CC1)NCc1cccnc1 ZINC000111227184 220116034 /nfs/dbraw/zinc/11/60/34/220116034.db2.gz LZPQRRZQJNAMQS-UHFFFAOYSA-N 0 0 326.404 0.700 10 0 ECAERN Cc1cnn(C[C@@H]2CN(CC(=O)NCc3cccnc3)CCO2)c1 ZINC000111229333 220117233 /nfs/dbraw/zinc/11/72/33/220117233.db2.gz AAZNIATWACAACX-INIZCTEOSA-N 0 0 329.404 0.604 10 0 ECAERN Cc1cc(C)n(C[C@@H]2CN(S(=O)(=O)c3cccnc3)CCO2)n1 ZINC000111345481 220142641 /nfs/dbraw/zinc/14/26/41/220142641.db2.gz PWLGAUZAIJLHPB-AWEZNQCLSA-N 0 0 336.417 0.985 10 0 ECAERN Cc1ccc(C(=O)NCCNC(=O)NC[C@@H]2CN(C)CCO2)cc1 ZINC000111493313 220161391 /nfs/dbraw/zinc/16/13/91/220161391.db2.gz LIIUGPCNDCCYQJ-OAHLLOKOSA-N 0 0 334.420 0.355 10 0 ECAERN C[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)Cn1nc2ccccn2c1=O ZINC000081450162 217399912 /nfs/dbraw/zinc/39/99/12/217399912.db2.gz WCNKXABYZSJVBH-NSHDSACASA-N 0 0 334.376 0.685 10 0 ECAERN C[C@H](O)C1CCN(C(=O)C(=O)Nc2cccnc2-n2cccn2)CC1 ZINC000111920866 220224365 /nfs/dbraw/zinc/22/43/65/220224365.db2.gz UCPLHJCXFOAUGQ-LBPRGKRZSA-N 0 0 343.387 0.825 10 0 ECAERN Cc1cnn(C[C@@H]2CN(C(=O)CNC(=O)CCC(C)C)CCO2)c1 ZINC000112063275 220236402 /nfs/dbraw/zinc/23/64/02/220236402.db2.gz WAPNMRBAZZKPAS-HNNXBMFYSA-N 0 0 336.436 0.971 10 0 ECAERN CCCNC(=O)CCNC(=O)N1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000112109078 220244897 /nfs/dbraw/zinc/24/48/97/220244897.db2.gz GRHOGSXNPOMRJZ-CQSZACIVSA-N 0 0 337.424 0.518 10 0 ECAERN Cc1cnn(C[C@@H]2CN(C(=O)C(=O)Nc3cnccc3C)CCO2)c1 ZINC000112147721 220252965 /nfs/dbraw/zinc/25/29/65/220252965.db2.gz PZOVZKGLVSYXQF-AWEZNQCLSA-N 0 0 343.387 0.761 10 0 ECAERN COC(=O)CN(C)C(=O)C[C@H]1C(=O)NCCN1Cc1ccc(C)cc1 ZINC000012315557 211345294 /nfs/dbraw/zinc/34/52/94/211345294.db2.gz IDIIKSRJGPWQIK-HNNXBMFYSA-N 0 0 347.415 0.317 10 0 ECAERN NC(=O)[C@H]1COCCN1C(=O)Cc1ccc(OC(F)(F)F)cc1 ZINC000091783212 218065782 /nfs/dbraw/zinc/06/57/82/218065782.db2.gz OYTYYXLQDFYWND-LLVKDONJSA-N 0 0 332.278 0.840 10 0 ECAERN NC(=O)N1CCC[C@H](C(=O)NCCc2nc3ccccc3c(=O)[nH]2)C1 ZINC000091943711 218092385 /nfs/dbraw/zinc/09/23/85/218092385.db2.gz GWJSPIRIQNRSCI-NSHDSACASA-N 0 0 343.387 0.373 10 0 ECAERN NC(=O)[C@H]1COCCN1CC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000092230349 218128030 /nfs/dbraw/zinc/12/80/30/218128030.db2.gz TVEQKKIOVSRYMM-LLVKDONJSA-N 0 0 331.294 0.830 10 0 ECAERN Nc1cc(Br)ccc1C(=O)N1CCS(=O)(=O)CC1 ZINC000094042658 218261596 /nfs/dbraw/zinc/26/15/96/218261596.db2.gz DXSXQJYFEQWXLE-UHFFFAOYSA-N 0 0 333.207 0.902 10 0 ECAERN CCOC(=O)C1=C(C(=O)OCC)NN(C(=O)OC)[C@@H](OCC)C1 ZINC000096034449 218517689 /nfs/dbraw/zinc/51/76/89/218517689.db2.gz LCUOYGGIGVEILI-ZJUUUORDSA-N 0 0 330.337 0.920 10 0 ECAERN O=C(NCCCN1CCOCC1)N1CCC(Nc2cccnn2)CC1 ZINC000152785311 224012232 /nfs/dbraw/zinc/01/22/32/224012232.db2.gz SJFSFOGLOXGUBE-UHFFFAOYSA-N 0 0 348.451 0.785 10 0 ECAERN COc1cc(NC(=O)C(=O)N[C@H]2CCc3ncnn3C2)ccc1F ZINC000187455684 532970263 /nfs/dbraw/zinc/97/02/63/532970263.db2.gz KJJXKVIIMVCDSU-JTQLQIEISA-N 0 0 333.323 0.496 10 0 ECAERN CC(C)n1nnnc1C[S@](=O)CC(=O)NCc1ccc(F)cc1 ZINC000176566721 207676654 /nfs/dbraw/zinc/67/66/54/207676654.db2.gz FRJZQFAXUIWLBC-QHCPKHFHSA-N 0 0 339.396 0.958 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)C(=O)Nc2ccc3n[nH]cc3c2)CC1 ZINC000189454885 207742374 /nfs/dbraw/zinc/74/23/74/207742374.db2.gz MXNWIRSENRGHPO-AWEZNQCLSA-N 0 0 345.403 0.417 10 0 ECAERN CC(C)(C)C(=O)OCOC(=O)[C@H]1N2C(=O)C[C@@H]2S(=O)(=O)C1(C)C ZINC000005455944 210468666 /nfs/dbraw/zinc/46/86/66/210468666.db2.gz OHPVYKXTRACOSQ-VHSXEESVSA-N 0 0 347.389 0.210 10 0 ECAERN COCC(=O)NC1CN(S(=O)(=O)c2c(F)cc(F)cc2F)C1 ZINC000187716493 533063707 /nfs/dbraw/zinc/06/37/07/533063707.db2.gz QCANDMAGQSYNGA-UHFFFAOYSA-N 0 0 338.307 0.239 10 0 ECAERN CCS(=O)(=O)CCNC(=O)N1CCC(c2ccnn2C)CC1 ZINC000153527606 224117633 /nfs/dbraw/zinc/11/76/33/224117633.db2.gz DKPLWYZINWIQSA-UHFFFAOYSA-N 0 0 328.438 0.744 10 0 ECAERN O=C(N[C@H]1CCc2ncnn2C1)c1cnc(-c2ncccn2)s1 ZINC000112648558 220362201 /nfs/dbraw/zinc/36/22/01/220362201.db2.gz BFMIPXDHSCOZQV-VIFPVBQESA-N 0 0 327.373 0.936 10 0 ECAERN O=C(CNC(=O)OCc1ccccc1)N[C@H]1CCc2ncnn2C1 ZINC000112647080 220362443 /nfs/dbraw/zinc/36/24/43/220362443.db2.gz JQZSMLJAFLZAAK-ZDUSSCGKSA-N 0 0 329.360 0.636 10 0 ECAERN O=C(CCNS(=O)(=O)c1ccccc1)N[C@H]1CCc2ncnn2C1 ZINC000112663561 220368212 /nfs/dbraw/zinc/36/82/12/220368212.db2.gz FQWWDQKQOKAEDU-LBPRGKRZSA-N 0 0 349.416 0.078 10 0 ECAERN C[C@@H](NC(=O)Nc1ccccc1)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000112661403 220368779 /nfs/dbraw/zinc/36/87/79/220368779.db2.gz IHTKJZUUQQNDQN-DGCLKSJQSA-N 0 0 328.376 0.919 10 0 ECAERN COCCN1C[C@@H](C(=O)N2CCc3c(nc(C(C)C)n3C)C2)CC1=O ZINC000112667523 220369785 /nfs/dbraw/zinc/36/97/85/220369785.db2.gz YKERSIVOVCRMNN-ZDUSSCGKSA-N 0 0 348.447 0.923 10 0 ECAERN CCn1cc(CN2CCCN(S(=O)(=O)N(C)C(C)C)CC2)cn1 ZINC000112707608 220381517 /nfs/dbraw/zinc/38/15/17/220381517.db2.gz BPLBWRWJBAGUGN-UHFFFAOYSA-N 0 0 343.497 0.996 10 0 ECAERN O=C(COc1ccc(Cl)cc1)NC[C@@H](O)CN1CCOCC1 ZINC000154114319 224205260 /nfs/dbraw/zinc/20/52/60/224205260.db2.gz UIDOIVXGRIFLAN-CYBMUJFWSA-N 0 0 328.796 0.528 10 0 ECAERN O=C(COc1ccccc1Cl)NC[C@H](O)CN1CCOCC1 ZINC000154124244 224207705 /nfs/dbraw/zinc/20/77/05/224207705.db2.gz OOUMKNANHSPZNO-LBPRGKRZSA-N 0 0 328.796 0.528 10 0 ECAERN CCOCCS(=O)(=O)N1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC000116899468 221008485 /nfs/dbraw/zinc/00/84/85/221008485.db2.gz WLPWYQKYLUMXIU-AWEZNQCLSA-N 0 0 330.454 0.973 10 0 ECAERN CCc1noc([C@@H](C)N2CCN(S(=O)(=O)[C@@H](C)COC)CC2)n1 ZINC000117921971 221099992 /nfs/dbraw/zinc/09/99/92/221099992.db2.gz ZJMBBDLRRZLIGE-NWDGAFQWSA-N 0 0 346.453 0.675 10 0 ECAERN COc1ccc(CNC(=O)CNC(=O)NCCn2cc(C)cn2)cc1 ZINC000118066277 221111043 /nfs/dbraw/zinc/11/10/43/221111043.db2.gz KHPFHDBUJCBVOG-UHFFFAOYSA-N 0 0 345.403 0.816 10 0 ECAERN CN1CCO[C@@H](CNC(=O)C(=O)Nc2ccc(Cl)c(F)c2)C1 ZINC000118115939 221121043 /nfs/dbraw/zinc/12/10/43/221121043.db2.gz LTNHWDFWLRCLEU-JTQLQIEISA-N 0 0 329.759 0.864 10 0 ECAERN CN1CCO[C@H](CNC(=O)C(=O)Nc2cc(F)c(F)cc2F)C1 ZINC000118115505 221121172 /nfs/dbraw/zinc/12/11/72/221121172.db2.gz VEHWQQJSURWVTR-MRVPVSSYSA-N 0 0 331.294 0.489 10 0 ECAERN Cc1cc(NC(=O)C(=O)NC[C@@H]2CN(C)CCO2)ccc1N(C)C ZINC000118115381 221121229 /nfs/dbraw/zinc/12/12/29/221121229.db2.gz YHYJFKTXVFMELE-CQSZACIVSA-N 0 0 334.420 0.446 10 0 ECAERN CCOc1ccnc(N2CCN(CCS(=O)(=O)CC)CC2)n1 ZINC000118398264 221145699 /nfs/dbraw/zinc/14/56/99/221145699.db2.gz QWMNYLQZKPXQKX-UHFFFAOYSA-N 0 0 328.438 0.432 10 0 ECAERN CCS(=O)(=O)N1CC[C@@]2(C1)C(=O)NC[C@@H]2COc1cccnc1 ZINC000253490332 257658800 /nfs/dbraw/zinc/65/88/00/257658800.db2.gz IFSBFOFYMHUTCS-DOMZBBRYSA-N 0 0 339.417 0.248 10 0 ECAERN CC(C)OC[C@H](O)CN(Cc1cn2c(n1)CCCC2)S(C)(=O)=O ZINC000328640584 258024281 /nfs/dbraw/zinc/02/42/81/258024281.db2.gz XMZRJLOXFPEXGA-CQSZACIVSA-N 0 0 345.465 0.767 10 0 ECAERN Cn1c(=O)ccn(CC(=O)N[C@@H]2CCCc3cc(F)ccc32)c1=O ZINC000153260277 296691257 /nfs/dbraw/zinc/69/12/57/296691257.db2.gz FCNDRBHMDZEDRV-CQSZACIVSA-N 0 0 331.347 0.880 10 0 ECAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)[C@@H]1CCCN(C(N)=O)C1)CC2 ZINC000150713626 164723335 /nfs/dbraw/zinc/72/33/35/164723335.db2.gz AGBLOLKQYNWZJY-NEPJUHHUSA-N 0 0 334.424 0.623 10 0 ECAERN CC(C)NC(=O)CCCC(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000173832379 164862504 /nfs/dbraw/zinc/86/25/04/164862504.db2.gz KQRBKGNNINAPDI-HUUCEWRRSA-N 0 0 325.453 0.860 10 0 ECAERN CC(=O)N1CCC(CNC(=O)N2CC(NC(=O)C3CCC3)C2)CC1 ZINC000188842679 165003124 /nfs/dbraw/zinc/00/31/24/165003124.db2.gz YGLYUIBQKCAXQM-UHFFFAOYSA-N 0 0 336.436 0.555 10 0 ECAERN COC[C@H](C)n1ccc(NC(=O)C(=O)N2CCN3CCCC[C@@H]3C2)n1 ZINC000188878165 165003439 /nfs/dbraw/zinc/00/34/39/165003439.db2.gz FGLYQTLEQJQTNE-UONOGXRCSA-N 0 0 349.435 0.726 10 0 ECAERN CC(C)Cc1nnc(NC(=O)CN2CCCNC(=O)[C@H]2C)s1 ZINC000189345481 165009836 /nfs/dbraw/zinc/00/98/36/165009836.db2.gz ZNDCTRLSPCVMGB-SNVBAGLBSA-N 0 0 325.438 0.886 10 0 ECAERN Cn1cc(N2CCC[C@H](NC(=O)c3cnn4ccncc34)C2)cn1 ZINC000189901722 165017142 /nfs/dbraw/zinc/01/71/42/165017142.db2.gz OLSITQJPULDQQU-LBPRGKRZSA-N 0 0 325.376 0.862 10 0 ECAERN CCN1CCCN(C(=O)N[C@@H](C)c2nnc3n2CCCC3)CC1=O ZINC000189956629 165018122 /nfs/dbraw/zinc/01/81/22/165018122.db2.gz AXMCAVBKVOZQQX-LBPRGKRZSA-N 0 0 334.424 0.939 10 0 ECAERN CCn1cc([C@@H]2CN(S(=O)(=O)[C@@H]3CCO[C@@H]3C)CCO2)cn1 ZINC000190537268 165022568 /nfs/dbraw/zinc/02/25/68/165022568.db2.gz BCJGUOGCBYQEFL-KWCYVHTRSA-N 0 0 329.422 0.784 10 0 ECAERN CCn1cc([C@H]2CN(C[C@H](O)COC3CCOCC3)CCO2)cn1 ZINC000190803554 165025933 /nfs/dbraw/zinc/02/59/33/165025933.db2.gz RRDLYMDIKIBZOV-DOTOQJQBSA-N 0 0 339.436 0.833 10 0 ECAERN CCNC(=O)c1ccc(CNC(=O)N2CCCNC(=O)[C@@H]2C)cc1 ZINC000191235803 165030339 /nfs/dbraw/zinc/03/03/39/165030339.db2.gz PRAGJEOWRHGWRA-LBPRGKRZSA-N 0 0 332.404 0.856 10 0 ECAERN C[C@@H]1C(=O)NCCCN1C(=O)NCc1cccnc1-n1ccnc1 ZINC000191186217 165030502 /nfs/dbraw/zinc/03/05/02/165030502.db2.gz OIBUBUIMFUSYNH-GFCCVEGCSA-N 0 0 328.376 0.687 10 0 ECAERN CC[C@@H]1CN(C(=O)N[C@H]2CCc3ncnn3C2)CCN1CC(F)F ZINC000245747607 165113996 /nfs/dbraw/zinc/11/39/96/165113996.db2.gz NGHVIRKPZFWSBJ-NWDGAFQWSA-N 0 0 342.394 0.964 10 0 ECAERN COC[C@@H](C)C(=O)N1CCN(CC(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000246103355 165123508 /nfs/dbraw/zinc/12/35/08/165123508.db2.gz IGOYEUKALDSPEB-OWCLPIDISA-N 0 0 339.480 0.918 10 0 ECAERN C[C@H](O)CN1CCN(C(=O)[C@@H]2Cc3ccccc3C(=O)O2)C[C@H]1C ZINC000246797824 165142807 /nfs/dbraw/zinc/14/28/07/165142807.db2.gz QZQSWMANEJWRRM-WWGRRREGSA-N 0 0 332.400 0.682 10 0 ECAERN CCOCCCNC(=O)[C@H](C)N1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000246798080 165143157 /nfs/dbraw/zinc/14/31/57/165143157.db2.gz AXGVHVNVFYJQQZ-WCQYABFASA-N 0 0 325.413 0.418 10 0 ECAERN COC[C@H](C)S(=O)(=O)N(C)[C@H]1CCCN(c2cccnn2)C1 ZINC000246903372 165146679 /nfs/dbraw/zinc/14/66/79/165146679.db2.gz MIVGRFRIPIGZAQ-STQMWFEESA-N 0 0 328.438 0.742 10 0 ECAERN CCOCCN1CCN(CC(=O)NC(=O)NCC(C)C)C[C@H]1C ZINC000247029791 165151177 /nfs/dbraw/zinc/15/11/77/165151177.db2.gz DCEZOOWWBVLETD-CQSZACIVSA-N 0 0 328.457 0.511 10 0 ECAERN CCCN(C)S(=O)(=O)N1CCO[C@@H](Cn2nc(C)cc2C)C1 ZINC000247093874 165152226 /nfs/dbraw/zinc/15/22/26/165152226.db2.gz POJRRBJMFHHICW-CQSZACIVSA-N 0 0 330.454 0.787 10 0 ECAERN CCCCN(C)S(=O)(=O)N1CCO[C@@H](c2nnc(CC)[nH]2)C1 ZINC000247183776 165156159 /nfs/dbraw/zinc/15/61/59/165156159.db2.gz SHIVPJSZPXJFJT-LLVKDONJSA-N 0 0 331.442 0.717 10 0 ECAERN CC(C)n1nnnc1CN(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000247402758 165160654 /nfs/dbraw/zinc/16/06/54/165160654.db2.gz BLGOUYLFOKMMAI-QWHCGFSZSA-N 0 0 343.453 0.422 10 0 ECAERN O=C(c1cc(N2CCNC(=O)C2)ccn1)N1CCN2CCCC[C@H]2C1 ZINC000248690566 165183383 /nfs/dbraw/zinc/18/33/83/165183383.db2.gz JBRFIGVASZEOAL-HNNXBMFYSA-N 0 0 343.431 0.328 10 0 ECAERN C[C@H]1OCCN[C@@H]1C(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@H]2c2ccccc2)C1 ZINC000261878817 165258090 /nfs/dbraw/zinc/25/80/90/165258090.db2.gz FCHCCXHBENFSHN-NDOBWRGRSA-N 0 0 343.427 0.637 10 0 ECAERN CN[C@@H](C(=O)N[C@H](C)c1ccc2c(c1)NC(=O)CO2)c1cnn(C)c1 ZINC000262034717 165278756 /nfs/dbraw/zinc/27/87/56/165278756.db2.gz FMHLHFVUGNYUBV-QLJPJBMISA-N 0 0 343.387 0.889 10 0 ECAERN COc1cc(OC)cc(N2CC[C@@H](NC(=O)[C@H]3NCCO[C@@H]3C)C2)c1 ZINC000262096286 165289001 /nfs/dbraw/zinc/28/90/01/165289001.db2.gz DKALMPZOMVEVRK-XNJGSVPQSA-N 0 0 349.431 0.776 10 0 ECAERN COc1ccc(CN2CCN(Cc3noc(CN)n3)CC2)cc1F ZINC000262242176 165314396 /nfs/dbraw/zinc/31/43/96/165314396.db2.gz PFZJJBMUZGSWII-UHFFFAOYSA-N 0 0 335.383 0.994 10 0 ECAERN CN[C@@H](C(=O)NCc1cccnc1-n1ccnc1)c1cnn(C)c1 ZINC000262441517 165350555 /nfs/dbraw/zinc/35/05/55/165350555.db2.gz UXQJLAVUFFXBRB-CQSZACIVSA-N 0 0 325.376 0.578 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)c2ccc(NC(N)=O)cc2)C1 ZINC000262712657 165376905 /nfs/dbraw/zinc/37/69/05/165376905.db2.gz MBKQBMROIFTACL-UHFFFAOYSA-N 0 0 334.376 0.845 10 0 ECAERN O=C([O-])C[N@H+](CC1CC1)C1CC(NC(=O)c2nccn3ccnc23)C1 ZINC000262731611 165379464 /nfs/dbraw/zinc/37/94/64/165379464.db2.gz UQGDWEIKBBDXCG-UHFFFAOYSA-N 0 0 343.387 0.787 10 0 ECAERN C[N@@H+](CC(=O)[O-])C[C@@H]1CN(C(=O)c2cc(C(C)(C)C)on2)CCO1 ZINC000262882788 165399091 /nfs/dbraw/zinc/39/90/91/165399091.db2.gz FTELFNUGDAOZTK-LLVKDONJSA-N 0 0 339.392 0.830 10 0 ECAERN Cn1cc([C@@]2(C)CN(c3ncc(S(N)(=O)=O)s3)CCO2)cn1 ZINC000301689009 296890070 /nfs/dbraw/zinc/89/00/70/296890070.db2.gz XWLYGSHMANXUJC-GFCCVEGCSA-N 0 0 343.434 0.276 10 0 ECAERN CCc1cc(N[C@H](C(=O)N2CCOCC2)C(C)C)n2ncnc2n1 ZINC000301719914 296890369 /nfs/dbraw/zinc/89/03/69/296890369.db2.gz PPOYGFXDXZHEHQ-AWEZNQCLSA-N 0 0 332.408 0.982 10 0 ECAERN COc1ncc(Cl)c(NCCCN2CCS(=O)(=O)CC2)n1 ZINC000302031686 296894600 /nfs/dbraw/zinc/89/46/00/296894600.db2.gz SJNAEXIVCQHZGI-UHFFFAOYSA-N 0 0 334.829 0.671 10 0 ECAERN CN(C(=O)N[C@H]1CCN(C)C1=O)[C@@H]1CCCN(c2cccnn2)C1 ZINC000163854060 226023449 /nfs/dbraw/zinc/02/34/49/226023449.db2.gz YVFNROIWXUPLGJ-OLZOCXBDSA-N 0 0 332.408 0.318 10 0 ECAERN O=C(Nc1ccnn1Cc1ccccc1F)C(=O)N1CCC[C@@H]1CO ZINC000121174534 221777746 /nfs/dbraw/zinc/77/77/46/221777746.db2.gz NWRLNENGDJDWSP-CYBMUJFWSA-N 0 0 346.362 0.992 10 0 ECAERN Cn1ccnc1C[C@@H]1CCCN(S(=O)(=O)N2CCOCC2)C1 ZINC000122101426 222014606 /nfs/dbraw/zinc/01/46/06/222014606.db2.gz ISNBJAADZJQBKV-ZDUSSCGKSA-N 0 0 328.438 0.252 10 0 ECAERN CCN1C[C@H](C(=O)N(C)[C@@H]2CCCN(c3cccnn3)C2)CC1=O ZINC000122534489 222107632 /nfs/dbraw/zinc/10/76/32/222107632.db2.gz NLFIBRLSYRBFAV-ZIAGYGMSSA-N 0 0 331.420 0.772 10 0 ECAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)CS(=O)(=O)N(CC)CC ZINC000124079666 222374070 /nfs/dbraw/zinc/37/40/70/222374070.db2.gz SIKKSMZFEMTXQK-LLVKDONJSA-N 0 0 343.453 0.463 10 0 ECAERN Cc1cc(C)n(C[C@H]2CN(C(=O)N[C@@H](C)C(=O)N(C)C)CCO2)n1 ZINC000171901614 227351031 /nfs/dbraw/zinc/35/10/31/227351031.db2.gz DNZUVQXPDRNTRG-UONOGXRCSA-N 0 0 337.424 0.387 10 0 ECAERN CC(C)(C)c1nc(CC(=O)NC[C@@H](O)CN2CCOCC2)cs1 ZINC000128103735 263146246 /nfs/dbraw/zinc/14/62/46/263146246.db2.gz DKYIEWJWEQVGIR-CYBMUJFWSA-N 0 0 341.477 0.792 10 0 ECAERN CC[C@@H](C(=O)N1CCO[C@H](Cn2cc(C)cn2)C1)N1CCCC1=O ZINC000173418924 263148906 /nfs/dbraw/zinc/14/89/06/263148906.db2.gz MIWNVSXCIXZKLG-GJZGRUSLSA-N 0 0 334.420 0.820 10 0 ECAERN CCOc1ccc(NC(=O)C(=O)N[C@H]2CCc3ncnn3C2)cc1F ZINC000177628963 263153698 /nfs/dbraw/zinc/15/36/98/263153698.db2.gz DZIJGTJCOIOZPB-NSHDSACASA-N 0 0 347.350 0.886 10 0 ECAERN Cc1cc(C(=O)N2CCOC[C@H]2C(N)=O)c(C)n1-c1nccs1 ZINC000180266020 263156486 /nfs/dbraw/zinc/15/64/86/263156486.db2.gz ZMISXMDEBDEIHK-LBPRGKRZSA-N 0 0 334.401 0.877 10 0 ECAERN Cc1ccc(C[C@H](CO)NC(=O)NC[C@@H](C)N2CCOCC2)cc1 ZINC000191939538 263165529 /nfs/dbraw/zinc/16/55/29/263165529.db2.gz VHMPZCJAKZUILI-NVXWUHKLSA-N 0 0 335.448 0.918 10 0 ECAERN O=C(C(=O)N1CCN(c2ccc3nncn3n2)CC1)c1ccccc1 ZINC000194330939 263168652 /nfs/dbraw/zinc/16/86/52/263168652.db2.gz SVZRUWHHWCWFEU-UHFFFAOYSA-N 0 0 336.355 0.656 10 0 ECAERN Cn1nccc1[C@@H]1NC(=O)CC[C@H]1NS(=O)(=O)C1CCCCC1 ZINC000284495672 264219633 /nfs/dbraw/zinc/21/96/33/264219633.db2.gz KCHSSUDZPZTIEL-IUODEOHRSA-N 0 0 340.449 0.992 10 0 ECAERN CO[C@H]1C[C@@H](C(N)=O)N(C(=O)COc2ccc(F)c(Cl)c2)C1 ZINC000284604130 264232951 /nfs/dbraw/zinc/23/29/51/264232951.db2.gz NMAZZVPZIBUMIF-CABZTGNLSA-N 0 0 330.743 0.959 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)c2ccnc(N3CCCC3)n2)C1 ZINC000262296205 276087475 /nfs/dbraw/zinc/08/74/75/276087475.db2.gz OUKHIHNRPXDNLO-UHFFFAOYSA-N 0 0 347.419 0.744 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)C(=O)Nc2ccc(N(C)C)cc2)CC1 ZINC000189454034 276642630 /nfs/dbraw/zinc/64/26/30/276642630.db2.gz BGKIHBAEIXYTAN-INIZCTEOSA-N 0 0 348.447 0.606 10 0 ECAERN CN1CCN(C(=O)c2ccc3c(c2)NC(=O)[C@H]2CCC(=O)N32)CC1 ZINC000065202025 277098540 /nfs/dbraw/zinc/09/85/40/277098540.db2.gz DMBONWAZFOSFKA-CQSZACIVSA-N 0 0 328.372 0.522 10 0 ECAERN CCCn1nccc1NC(=O)C(=O)N1CCN(C[C@@H](O)CC)CC1 ZINC000189478683 437601457 /nfs/dbraw/zinc/60/14/57/437601457.db2.gz AVHYKOSNCVPDKL-ZDUSSCGKSA-N 0 0 337.424 0.147 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)C(=O)N2CCc3c2cccc3F)CC1 ZINC000189457042 437602176 /nfs/dbraw/zinc/60/21/76/437602176.db2.gz KFXNJMPEKVRLKO-ZDUSSCGKSA-N 0 0 349.406 0.630 10 0 ECAERN CC(C)[C@@H](NC(=O)CN1CCOC[C@@H]1C(N)=O)c1ccc(F)cc1 ZINC000092229145 279883920 /nfs/dbraw/zinc/88/39/20/279883920.db2.gz SSZCBIOILLPJLW-GDBMZVCRSA-N 0 0 337.395 0.825 10 0 ECAERN O=C1CCN(c2nc3nonc3nc2N2CCCCCC2)CCN1 ZINC000011880032 280255585 /nfs/dbraw/zinc/25/55/85/280255585.db2.gz AWVCGOLFVOORKF-UHFFFAOYSA-N 0 0 331.380 0.720 10 0 ECAERN COc1cc([C@@H]2NC(=O)[C@H]3COCCN32)c(Br)cc1O ZINC000093885034 295020967 /nfs/dbraw/zinc/02/09/67/295020967.db2.gz KFSGIYSYZRCEIV-BXKDBHETSA-N 0 0 343.177 0.993 10 0 ECAERN CS(=O)(=O)N[C@H]1CCO[C@]2(CCN(C(=O)C3CCOCC3)C2)C1 ZINC000096111231 295538543 /nfs/dbraw/zinc/53/85/43/295538543.db2.gz XGCNEJFGXGZNIO-DZGCQCFKSA-N 0 0 346.449 0.112 10 0 ECAERN O=C1[C@@H](N2CCC[C@H](N3CCCS3(=O)=O)C2)CCN1C1CC1 ZINC000333055960 297105281 /nfs/dbraw/zinc/10/52/81/297105281.db2.gz RHMUSIJDZHXHEV-KBPBESRZSA-N 0 0 327.450 0.250 10 0 ECAERN Cn1cc([C@@H]2CN(C(=O)c3cccc4c3OCC(=O)N4)CCO2)cn1 ZINC000333076816 297106978 /nfs/dbraw/zinc/10/69/78/297106978.db2.gz WFIBYKOHJINHKH-AWEZNQCLSA-N 0 0 342.355 0.965 10 0 ECAERN C[C@@H]1CCN(C(=O)N[C@H]2CCCN(c3nccn(C)c3=O)C2)C[C@@H]1O ZINC000333295801 297121982 /nfs/dbraw/zinc/12/19/82/297121982.db2.gz LSCSWOAVUMAZJD-RDBSUJKOSA-N 0 0 349.435 0.161 10 0 ECAERN O=C([C@H]1CC(=O)C[C@@H]1C(=O)N1CCSCC1)N1CCSCC1 ZINC000333309449 297123351 /nfs/dbraw/zinc/12/33/51/297123351.db2.gz IYSSBPYVFLLQNU-STQMWFEESA-N 0 0 342.486 0.733 10 0 ECAERN COC(=O)[C@@H]1CSCN1C(=O)CCn1cnc2ccccc2c1=O ZINC000002323709 435965264 /nfs/dbraw/zinc/96/52/64/435965264.db2.gz KDEMNYHHMRJWPT-ZDUSSCGKSA-N 0 0 347.396 0.861 10 0 ECAERN Cc1cc2[nH]c(=O)c(=O)[nH]c2cc1S(=O)(=O)NCc1ccco1 ZINC000006938539 436006737 /nfs/dbraw/zinc/00/67/37/436006737.db2.gz BHDGGPJEMRZNIY-UHFFFAOYSA-N 0 0 335.341 0.596 10 0 ECAERN NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccs1 ZINC000072781472 436055461 /nfs/dbraw/zinc/05/54/61/436055461.db2.gz LSSQHOLUBBCXBM-LBPRGKRZSA-N 0 0 331.397 0.691 10 0 ECAERN Cc1cc(CC(=O)N2CCC[C@@](O)(c3cn(C(C)C)nn3)C2)[nH]n1 ZINC000375420314 301173991 /nfs/dbraw/zinc/17/39/91/301173991.db2.gz SPLIUYKGDJSVTD-INIZCTEOSA-N 0 0 332.408 0.943 10 0 ECAERN C[C@H](CNC(=O)NC[C@](C)(O)c1ccsc1)N1CCOCC1 ZINC000077531732 436241334 /nfs/dbraw/zinc/24/13/34/436241334.db2.gz QSZDLSGRPHJVQM-DOMZBBRYSA-N 0 0 327.450 0.976 10 0 ECAERN C[C@H]1C[C@@H]1NC(=O)C(=O)Nc1cc(F)c(S(C)(=O)=O)c(F)c1 ZINC000076097807 436191311 /nfs/dbraw/zinc/19/13/11/436191311.db2.gz KGYDOQSNQOPRRN-WKEGUHRASA-N 0 0 332.328 0.831 10 0 ECAERN C[C@@H](CNC(=O)C(=O)Nc1ccc2[nH]ccc2c1)N1CCOCC1 ZINC000076238692 436197624 /nfs/dbraw/zinc/19/76/24/436197624.db2.gz BHPSTOMUGOCUIC-LBPRGKRZSA-N 0 0 330.388 0.943 10 0 ECAERN Cc1cc(F)ccc1N1CC[C@H](C(=O)NCCN2CCOCC2)C1=O ZINC000034676275 436254591 /nfs/dbraw/zinc/25/45/91/436254591.db2.gz JDBAHZYTWGGDRG-OAHLLOKOSA-N 0 0 349.406 0.935 10 0 ECAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)Cn1nc2ccccn2c1=O ZINC000081579094 436351182 /nfs/dbraw/zinc/35/11/82/436351182.db2.gz VZKFTYLJFJIRGJ-NSHDSACASA-N 0 0 327.348 0.047 10 0 ECAERN O=C(c1sccc1Br)N1CC[C@]2(C1)NC(=O)NC2=O ZINC000084796304 436385141 /nfs/dbraw/zinc/38/51/41/436385141.db2.gz WTSPTJAWUKQSJD-LLVKDONJSA-N 0 0 344.190 0.935 10 0 ECAERN CC[C@H](C)NC(=O)CN1CCN(C(=O)N[C@@H](C)[C@@H]2CCCO2)CC1 ZINC000046971247 436406336 /nfs/dbraw/zinc/40/63/36/436406336.db2.gz WICMHOVSPNELFY-KKUMJFAQSA-N 0 0 340.468 0.796 10 0 ECAERN CCc1nnc(CS(=O)(=O)CC(=O)N[C@H]2CCCC[C@@H]2C)n1C ZINC000091049659 436439211 /nfs/dbraw/zinc/43/92/11/436439211.db2.gz MYRJSTFDPXHMTF-RYUDHWBXSA-N 0 0 342.465 0.987 10 0 ECAERN NC(=O)[C@@H]1COCCN1C(=O)c1cccc(-c2noc(C3CC3)n2)c1 ZINC000091783698 436459923 /nfs/dbraw/zinc/45/99/23/436459923.db2.gz UCIGQQGAMIZNLL-ZDUSSCGKSA-N 0 0 342.355 0.940 10 0 ECAERN Cc1nnc(CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)n1C ZINC000047541047 436422951 /nfs/dbraw/zinc/42/29/51/436422951.db2.gz ZACZRTITBAWHPJ-UHFFFAOYSA-N 0 0 349.460 0.938 10 0 ECAERN Cc1nnc(CN2CCN(CC(=O)NCc3ccccc3)CC2)n1C ZINC000047541491 436423152 /nfs/dbraw/zinc/42/31/52/436423152.db2.gz FOOPTZXFULVHAM-UHFFFAOYSA-N 0 0 342.447 0.558 10 0 ECAERN C[C@@H](CNC(=O)N1CCC(N2CCCC2=O)CC1)N1CCOCC1 ZINC000105124208 436568997 /nfs/dbraw/zinc/56/89/97/436568997.db2.gz CKQLSCIYJRLQET-AWEZNQCLSA-N 0 0 338.452 0.504 10 0 ECAERN O=C(CN1CCO[C@H](Cn2cccn2)C1)NCCOc1ccccc1 ZINC000105889120 436585135 /nfs/dbraw/zinc/58/51/35/436585135.db2.gz UXNBWBGUDASMLS-KRWDZBQOSA-N 0 0 344.415 0.779 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)c2cnn(-c3ccccc3)n2)CC1 ZINC000106393719 436594022 /nfs/dbraw/zinc/59/40/22/436594022.db2.gz RMBKQPANONWCFB-HNNXBMFYSA-N 0 0 329.404 0.796 10 0 ECAERN O=C([C@@H]1CNC(=O)C1)N(CCCN1CCOCC1)Cc1ccncc1 ZINC000106772565 436601961 /nfs/dbraw/zinc/60/19/61/436601961.db2.gz RXHFSCBLUNICBR-INIZCTEOSA-N 0 0 346.431 0.269 10 0 ECAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)[C@@H]3CCCN(C(N)=O)C3)CCO2)n1 ZINC000110903562 436629524 /nfs/dbraw/zinc/62/95/24/436629524.db2.gz XAUOQBAWMUQNIE-CABCVRRESA-N 0 0 349.435 0.518 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1cccc(OCC(N)=O)c1)CC2 ZINC000114869907 436644786 /nfs/dbraw/zinc/64/47/86/436644786.db2.gz WHIDBWZTQJLTIC-LBPRGKRZSA-N 0 0 343.387 0.449 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)N1CCC(C(=O)OC)CC1)CC2 ZINC000114978306 436646022 /nfs/dbraw/zinc/64/60/22/436646022.db2.gz UNMVPSXDLSIVEP-GFCCVEGCSA-N 0 0 335.408 0.750 10 0 ECAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)CN3CSCC3=O)C2)n1 ZINC000116777662 436651326 /nfs/dbraw/zinc/65/13/26/436651326.db2.gz KUPYCFSRFPGTPM-ZDUSSCGKSA-N 0 0 337.449 0.666 10 0 ECAERN CN(CCCNC(=O)CN1CCC[C@@H]1c1ccco1)S(C)(=O)=O ZINC000116289269 436649704 /nfs/dbraw/zinc/64/97/04/436649704.db2.gz JXBOXMBPYOXOCR-CYBMUJFWSA-N 0 0 343.449 0.814 10 0 ECAERN O=C(NCCn1cccn1)[C@H]1CCC[C@@H]1C(=O)NCCn1cccn1 ZINC000137788981 436658908 /nfs/dbraw/zinc/65/89/08/436658908.db2.gz VNOPHLBLVSVEAN-GJZGRUSLSA-N 0 0 344.419 0.429 10 0 ECAERN CCN(CC)C(=O)CN1CCN(Cc2nnc(C(C)C)n2C)CC1 ZINC000195430133 436690360 /nfs/dbraw/zinc/69/03/60/436690360.db2.gz WFLZHSQKPNLADV-UHFFFAOYSA-N 0 0 336.484 0.925 10 0 ECAERN C[C@H](CNC(=O)N[C@@H](C)[C@H](O)Cc1ccccc1)N1CCOCC1 ZINC000120550646 436691629 /nfs/dbraw/zinc/69/16/29/436691629.db2.gz DPQVGNBHFRRNKX-HLLBOEOZSA-N 0 0 335.448 0.998 10 0 ECAERN Cc1nnc([C@@H]2CN(C(=O)COc3c(C)nn(C)c3C)CCO2)[nH]1 ZINC000150996845 436693421 /nfs/dbraw/zinc/69/34/21/436693421.db2.gz WGGPGYSRINEKSA-LBPRGKRZSA-N 0 0 334.380 0.442 10 0 ECAERN CC[C@@H]1CN(C(=O)C(=O)Nc2ccc(C)nc2)CCN1C[C@@H](C)O ZINC000120601787 436693708 /nfs/dbraw/zinc/69/37/08/436693708.db2.gz QGJIJHQHXNYTTM-UKRRQHHQSA-N 0 0 334.420 0.632 10 0 ECAERN CCCCn1c(N)c(N(C)C[C@H](O)COC(C)(C)C)c(=O)[nH]c1=O ZINC000120755807 436697929 /nfs/dbraw/zinc/69/79/29/436697929.db2.gz ZZTCFVAQUVEYIU-NSHDSACASA-N 0 0 342.440 0.531 10 0 ECAERN COCC[N@H+](C)CCCNC(=O)N[C@@H](C)c1nnc2n1CCCC2 ZINC000151510483 436704795 /nfs/dbraw/zinc/70/47/95/436704795.db2.gz VEVWHFLDLQJARF-ZDUSSCGKSA-N 0 0 338.456 0.943 10 0 ECAERN CN(C(=O)NCCn1ccnc1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000151804223 436713291 /nfs/dbraw/zinc/71/32/91/436713291.db2.gz FQJALTBAWBFYMQ-CQSZACIVSA-N 0 0 329.408 0.984 10 0 ECAERN CCc1nnc([C@H]2CN(C(=O)NCCCc3cnn(C)c3)CCO2)[nH]1 ZINC000138602889 436660618 /nfs/dbraw/zinc/66/06/18/436660618.db2.gz YQKYUWUBTXBIEE-CYBMUJFWSA-N 0 0 347.423 0.816 10 0 ECAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)Cn1ccc(C)cc1=O ZINC000194847117 436672719 /nfs/dbraw/zinc/67/27/19/436672719.db2.gz XZHXJGIUCNXBED-GFCCVEGCSA-N 0 0 331.376 0.546 10 0 ECAERN CNC(=O)c1[nH]nc2c1CN(c1cc(OC(C)C)nc(N)n1)CC2 ZINC000067833556 436724888 /nfs/dbraw/zinc/72/48/88/436724888.db2.gz FQRKITTZMBTTJT-UHFFFAOYSA-N 0 0 331.380 0.491 10 0 ECAERN Cc1nnc([C@H]2CN(C(=O)c3cccc4c3oc(=O)n4C)CCO2)[nH]1 ZINC000124942815 436760895 /nfs/dbraw/zinc/76/08/95/436760895.db2.gz QMUJELXQMGBQSV-GFCCVEGCSA-N 0 0 343.343 0.772 10 0 ECAERN CCCC(=O)N[C@@H]1CCC[N@H+](C[C@H](O)COC[C@H]2CCCO2)C1 ZINC000245199925 436761330 /nfs/dbraw/zinc/76/13/30/436761330.db2.gz QVRCSQUDERWAIU-OWCLPIDISA-N 0 0 328.453 0.924 10 0 ECAERN NC(=O)c1cccc(C(=O)N[C@H]2CCCN(c3cccnn3)C2)c1 ZINC000125078223 436762596 /nfs/dbraw/zinc/76/25/96/436762596.db2.gz HWDLSSQINRCAGL-AWEZNQCLSA-N 0 0 325.372 0.974 10 0 ECAERN C[C@H](O)CN1CCN(C(=O)C(=O)Nc2ccc(Cl)cn2)C[C@@H]1C ZINC000248721882 436809213 /nfs/dbraw/zinc/80/92/13/436809213.db2.gz FWOTTXRAMLJMEN-QWRGUYRKSA-N 0 0 340.811 0.587 10 0 ECAERN O=C(NC[C@@H](O)CN1CCOCC1)c1csc(-c2ccoc2)n1 ZINC000128068835 436810537 /nfs/dbraw/zinc/81/05/37/436810537.db2.gz MUWQYOQPFDEKCE-GFCCVEGCSA-N 0 0 337.401 0.826 10 0 ECAERN CC[C@H](Oc1ccccc1F)C(=O)NC[C@@H](O)CN1CCOCC1 ZINC000128112932 436811718 /nfs/dbraw/zinc/81/17/18/436811718.db2.gz MINZRTWAEONYGP-HIFRSBDPSA-N 0 0 340.395 0.792 10 0 ECAERN C[C@@H](NC(=O)C[C@@H]1NC(=O)NC1=O)c1cccc(-n2ccnc2)c1 ZINC000156555299 436818342 /nfs/dbraw/zinc/81/83/42/436818342.db2.gz WBCMLWQHKIWTMH-MFKMUULPSA-N 0 0 327.344 0.648 10 0 ECAERN C[C@@H]1CN([C@H]2CCN(CC(F)(F)F)C2=O)C[C@H]1N1CCOCC1 ZINC000246320029 436777592 /nfs/dbraw/zinc/77/75/92/436777592.db2.gz DAMZKMHVAAZEBB-FRRDWIJNSA-N 0 0 335.370 0.802 10 0 ECAERN CCc1cc(NC(=O)C(=O)N2CCN(CCOC)[C@H](C)C2)n(C)n1 ZINC000126222927 436783809 /nfs/dbraw/zinc/78/38/09/436783809.db2.gz ZZPNIWAUYLKHDU-GFCCVEGCSA-N 0 0 337.424 0.100 10 0 ECAERN C[C@H](O)CN1CCN(C(=O)c2cn(Cc3ccccc3)nn2)C[C@H]1C ZINC000246704000 436784381 /nfs/dbraw/zinc/78/43/81/436784381.db2.gz KGOJPKZOSVOVLW-CABCVRRESA-N 0 0 343.431 0.854 10 0 ECAERN C[C@H](O)CN1CCN(C(=O)[C@H]2Cc3ccccc3C(=O)O2)C[C@H]1C ZINC000246795406 436786321 /nfs/dbraw/zinc/78/63/21/436786321.db2.gz QZQSWMANEJWRRM-DVOMOZLQSA-N 0 0 332.400 0.682 10 0 ECAERN CN1C(=O)C[C@H](C(=O)NCC(C)(C)C(N)=O)[C@@H]1c1ccc(F)cc1 ZINC000154995574 436788533 /nfs/dbraw/zinc/78/85/33/436788533.db2.gz AYIMAWWGWGBGHR-JSGCOSHPSA-N 0 0 335.379 0.973 10 0 ECAERN CCS(=O)(=O)N[C@H](CCSC)C(=O)N1CC[C@H](CCO)C1 ZINC000126851075 436793920 /nfs/dbraw/zinc/79/39/20/436793920.db2.gz DROQYRNLFDYQJX-VXGBXAGGSA-N 0 0 338.495 0.278 10 0 ECAERN COCc1nc2n(n1)CCC[C@H]2n1c(=O)[nH]c2ccccc2c1=O ZINC000155495064 436796095 /nfs/dbraw/zinc/79/60/95/436796095.db2.gz XUXAOPFFYCEDKD-GFCCVEGCSA-N 0 0 327.344 0.811 10 0 ECAERN O=C(NC[C@@H]1CCCC[C@@H]1O)C(=O)Nc1cccc(-n2ccnn2)c1 ZINC000127310972 436800259 /nfs/dbraw/zinc/80/02/59/436800259.db2.gz WPBAQCMOMITYMG-WFASDCNBSA-N 0 0 343.387 0.873 10 0 ECAERN [O-][N+]1=C2CCc3nonc3[C@]2(O)[C@@H]2CCCC[C@]21N1CCOCC1 ZINC000253393677 436842538 /nfs/dbraw/zinc/84/25/38/436842538.db2.gz ZNUCGWWTSCYLAA-WQVCFCJDSA-N 0 0 335.384 0.278 10 0 ECAERN O=C(N[C@@H]1CN(c2ccncn2)C[C@H]1CO)c1ccc(F)cc1F ZINC000253412103 436844553 /nfs/dbraw/zinc/84/45/53/436844553.db2.gz PWTQVXQHJYWULM-IINYFYTJSA-N 0 0 334.326 0.982 10 0 ECAERN CCNC(=O)C(C)(C)CNC(=O)N1CCN(CCOC)[C@H](C)C1 ZINC000131140687 436846831 /nfs/dbraw/zinc/84/68/31/436846831.db2.gz DZSNQKVHUNIWEX-CYBMUJFWSA-N 0 0 328.457 0.511 10 0 ECAERN COCCNC(=O)[C@H]1C[C@H](Oc2ccccc2)CN1C(=O)COC ZINC000257190381 436857862 /nfs/dbraw/zinc/85/78/62/436857862.db2.gz OQCZOMYJUWNFQD-LSDHHAIUSA-N 0 0 336.388 0.444 10 0 ECAERN Cc1oc(-c2ccco2)nc1CC(=O)N1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000157339326 436827078 /nfs/dbraw/zinc/82/70/78/436827078.db2.gz ARKHUZMNCATNTR-RNCFNFMXSA-N 0 0 333.344 0.887 10 0 ECAERN C[C@@H]1CN(C(=O)CCCc2nc(C(C)(C)C)no2)C[C@H](C(N)=O)O1 ZINC000157372655 436828482 /nfs/dbraw/zinc/82/84/82/436828482.db2.gz PFRFSZJCILIQAV-GHMZBOCLSA-N 0 0 338.408 0.791 10 0 ECAERN Cc1c(C(=O)N2C[C@@H](C)O[C@@H](C(N)=O)C2)cnn1-c1ccccn1 ZINC000157515549 436830160 /nfs/dbraw/zinc/83/01/60/436830160.db2.gz YDFYEFULTMGHRH-ZWNOBZJWSA-N 0 0 329.360 0.291 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)c2cccc(-n3cccn3)n2)CC1 ZINC000135464836 436917497 /nfs/dbraw/zinc/91/74/97/436917497.db2.gz OQZVTPBJIFCDQX-CQSZACIVSA-N 0 0 329.404 0.796 10 0 ECAERN CCC[C@@H]([NH2+][C@@H](C)C(=O)N1CCN(c2ncccn2)CC1)C(=O)[O-] ZINC000262264203 436919518 /nfs/dbraw/zinc/91/95/18/436919518.db2.gz HAQYSPUIIGWLNH-QWHCGFSZSA-N 0 0 335.408 0.357 10 0 ECAERN CCC[C@H](C(=O)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1)[NH+](C)C ZINC000162442338 436904422 /nfs/dbraw/zinc/90/44/22/436904422.db2.gz VTFBNZTXOCWLEE-JKSUJKDBSA-N 0 0 338.496 0.872 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)c2cc(-n3cccn3)ccn2)CC1 ZINC000134864144 436904598 /nfs/dbraw/zinc/90/45/98/436904598.db2.gz RMSMLPQZAXJZMO-HNNXBMFYSA-N 0 0 329.404 0.796 10 0 ECAERN C[C@H](NC(=O)NC[C@@H]1CN(C)CCO1)C(=O)NCc1ccccc1 ZINC000170924145 436962993 /nfs/dbraw/zinc/96/29/93/436962993.db2.gz AHFFXKROBQYNGV-DZGCQCFKSA-N 0 0 334.420 0.321 10 0 ECAERN OC[C@H]1CCCN1c1cc(N2CCO[C@H](Cn3cccn3)C2)ncn1 ZINC000170999839 436964093 /nfs/dbraw/zinc/96/40/93/436964093.db2.gz JDKZKHMPHICZEY-CABCVRRESA-N 0 0 344.419 0.540 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)N2CC[C@H](C(=O)OC)C2)C1 ZINC000263456671 436966898 /nfs/dbraw/zinc/96/68/98/436966898.db2.gz HOOMEGKMTOKUSE-UNXYVOJBSA-N 0 0 327.381 0.128 10 0 ECAERN C[C@H]1CCN(S(=O)(=O)NC2CC([N@@H+](CC(=O)[O-])CC3CC3)C2)C1 ZINC000263469589 436967084 /nfs/dbraw/zinc/96/70/84/436967084.db2.gz HIVZSOILVUCBOD-XGNXJENSSA-N 0 0 345.465 0.490 10 0 ECAERN O=C([O-])C[N@H+](CC1CC1)C1CC(NS(=O)(=O)c2ccco2)C1 ZINC000263486093 436968184 /nfs/dbraw/zinc/96/81/84/436968184.db2.gz MSIBJLJVMWJWFT-UHFFFAOYSA-N 0 0 328.390 0.886 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)Nc2nnc3ccccn32)C1 ZINC000263479348 436968727 /nfs/dbraw/zinc/96/87/27/436968727.db2.gz KHNCFCLRIMHQNN-UHFFFAOYSA-N 0 0 332.364 0.788 10 0 ECAERN Cc1cc(C(=O)NC2CCN(C(=O)[C@H]3CNC(=O)C3)CC2)c(C)o1 ZINC000171289176 436976493 /nfs/dbraw/zinc/97/64/93/436976493.db2.gz YOIKGNIVMCHHHL-GFCCVEGCSA-N 0 0 333.388 0.753 10 0 ECAERN CCC(=O)N1CC[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(N)=O)C1 ZINC000136272236 436930387 /nfs/dbraw/zinc/93/03/87/436930387.db2.gz RCQRACDBTSVGOK-UONOGXRCSA-N 0 0 332.404 0.393 10 0 ECAERN C[C@H]1CN(C(=O)C(=O)N2CCN(Cc3ccccc3)CC2)C[C@H](C)O1 ZINC000170331684 436944572 /nfs/dbraw/zinc/94/45/72/436944572.db2.gz FGPBJIBOOCHKIG-HOTGVXAUSA-N 0 0 345.443 0.967 10 0 ECAERN COc1cccc(F)c1C(=O)N1CCO[C@H](C[N@H+](C)CC(=O)[O-])C1 ZINC000262927501 436944847 /nfs/dbraw/zinc/94/48/47/436944847.db2.gz SIKGPPKOZHPUJG-LLVKDONJSA-N 0 0 340.351 0.692 10 0 ECAERN CN1CCO[C@@H](CNC(=O)CCNC(=O)c2[nH]nc3ccccc32)C1 ZINC000170829276 436955441 /nfs/dbraw/zinc/95/54/41/436955441.db2.gz DSPJDEXBDWJILD-LBPRGKRZSA-N 0 0 345.403 0.130 10 0 ECAERN NS(=O)(=O)CCCN1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000170914528 436959814 /nfs/dbraw/zinc/95/98/14/436959814.db2.gz JXUZXALNUUAVHX-GFCCVEGCSA-N 0 0 327.454 0.820 10 0 ECAERN CCNC(=O)c1cccc(CNC(=O)NC[C@@H]2CN(C)CCO2)c1 ZINC000170922921 436960372 /nfs/dbraw/zinc/96/03/72/436960372.db2.gz IMKOMQRTCJMSKG-OAHLLOKOSA-N 0 0 334.420 0.566 10 0 ECAERN O=C(N[C@H]1CCc2ncnn2C1)N1CCCN(c2nccs2)CC1 ZINC000172602970 437021493 /nfs/dbraw/zinc/02/14/93/437021493.db2.gz NPLSSBWWMKIDCC-LBPRGKRZSA-N 0 0 347.448 0.971 10 0 ECAERN CCN(CC)C(=O)CCCC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000172759272 437030290 /nfs/dbraw/zinc/03/02/90/437030290.db2.gz IVJGSTVHMPVHTO-HNNXBMFYSA-N 0 0 325.453 0.958 10 0 ECAERN C[C@H](COCc1ccccc1)NC(=O)Cn1ccc(=O)n(C)c1=O ZINC000172953112 437033557 /nfs/dbraw/zinc/03/35/57/437033557.db2.gz AYKDCJXNLDGKAJ-CYBMUJFWSA-N 0 0 331.372 0.269 10 0 ECAERN COC(=O)c1ccc(CNC(=O)N[C@H]2CCc3ncnn3C2)cc1 ZINC000171843804 436990179 /nfs/dbraw/zinc/99/01/79/436990179.db2.gz HWYAAWGQUGCPMF-ZDUSSCGKSA-N 0 0 329.360 0.879 10 0 ECAERN Cn1cc(CN2CCCN(S(=O)(=O)C[C@@H]3CCOC3)CC2)cn1 ZINC000172021840 436995594 /nfs/dbraw/zinc/99/55/94/436995594.db2.gz ZYYCNACYFIQYNZ-CQSZACIVSA-N 0 0 342.465 0.294 10 0 ECAERN O=C(CCN1CCCS1(=O)=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000172122444 436998802 /nfs/dbraw/zinc/99/88/02/436998802.db2.gz XDOYHUXHTUPINK-CYBMUJFWSA-N 0 0 326.422 0.889 10 0 ECAERN COCCN1CCN(C(=O)NCCc2cccc(C(N)=O)c2)C[C@@H]1C ZINC000172334303 437011618 /nfs/dbraw/zinc/01/16/18/437011618.db2.gz OLSSEGLDEWYLCW-AWEZNQCLSA-N 0 0 348.447 0.690 10 0 ECAERN CCCNC(=O)CCC(=O)NC[C@@H]1CCCN1c1cc(NC)ncn1 ZINC000173417353 437049194 /nfs/dbraw/zinc/04/91/94/437049194.db2.gz FYYSZRSWPITTAQ-ZDUSSCGKSA-N 0 0 348.451 0.910 10 0 ECAERN Cn1nccc1[C@H]1[C@H](Nc2nccn3cnnc23)CCC(=O)N1C ZINC000284594342 437054512 /nfs/dbraw/zinc/05/45/12/437054512.db2.gz HXLZXFLOSPJGJF-ZWNOBZJWSA-N 0 0 326.364 0.632 10 0 ECAERN CCc1nnc([C@@H]2CN(C(=O)CNC(=O)CCC(C)C)CCO2)[nH]1 ZINC000173556448 437056460 /nfs/dbraw/zinc/05/64/60/437056460.db2.gz RDYICRUYNSICAU-LBPRGKRZSA-N 0 0 337.424 0.819 10 0 ECAERN Cn1cc([C@H]2CCCN2CCNS(=O)(=O)c2cnn(C)c2)cn1 ZINC000173655900 437059400 /nfs/dbraw/zinc/05/94/00/437059400.db2.gz XDPCWAIMYZIPNM-CQSZACIVSA-N 0 0 338.437 0.269 10 0 ECAERN Cc1nnc([C@H]2CN(CC(=O)NCCOCCC(C)C)CCO2)[nH]1 ZINC000173675657 437060628 /nfs/dbraw/zinc/06/06/28/437060628.db2.gz RHUBPHRXHZABPS-CQSZACIVSA-N 0 0 339.440 0.665 10 0 ECAERN CC(C)n1cc([C@@]2(O)CCCN(Cc3nc(N(C)C)no3)C2)nn1 ZINC000284693815 437061752 /nfs/dbraw/zinc/06/17/52/437061752.db2.gz SBSSRHGIAYWUHI-OAHLLOKOSA-N 0 0 335.412 0.792 10 0 ECAERN CCN(CC)C(=O)[C@@H]1CCCN1C(=O)N[C@H]1CCc2nc(C)nn2C1 ZINC000174634118 437083592 /nfs/dbraw/zinc/08/35/92/437083592.db2.gz WZYWOHWZQWAFSL-KBPBESRZSA-N 0 0 348.451 0.944 10 0 ECAERN CCOCCN1CCN(c2cc(N3CCC[C@H]3CO)ncn2)CC1 ZINC000174733803 437087152 /nfs/dbraw/zinc/08/71/52/437087152.db2.gz AGLFMLUVAJIYTM-HNNXBMFYSA-N 0 0 335.452 0.596 10 0 ECAERN CCNS(=O)(=O)NC[C@@H](c1cccs1)N1CCO[C@H](C)C1 ZINC000175224073 437096438 /nfs/dbraw/zinc/09/64/38/437096438.db2.gz OKOXKRVSUGPIOE-NEPJUHHUSA-N 0 0 333.479 0.954 10 0 ECAERN O=C(Cn1c(=O)c2ccccc2[n-]c1=S)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000175329602 437101400 /nfs/dbraw/zinc/10/14/00/437101400.db2.gz UHMWBJPWTADGHK-GFCCVEGCSA-N 0 0 344.440 0.992 10 0 ECAERN Cc1cnn(C[C@@H]2CN(C(=O)[C@H](C)CS(C)(=O)=O)CCO2)c1 ZINC000176818810 437159201 /nfs/dbraw/zinc/15/92/01/437159201.db2.gz GAUZZEZTFATSPG-OLZOCXBDSA-N 0 0 329.422 0.100 10 0 ECAERN O=C(c1cccn1Cc1ccccc1)N1CC[C@@]2(C1)NC(=O)NC2=O ZINC000304975715 437160415 /nfs/dbraw/zinc/16/04/15/437160415.db2.gz SNNKVEYVYUGTBI-SFHVURJKSA-N 0 0 338.367 0.961 10 0 ECAERN COC(=O)CN1CCN(c2nc3c(cnn3C(C)(C)C)c(=O)[nH]2)CC1 ZINC000301513357 437123593 /nfs/dbraw/zinc/12/35/93/437123593.db2.gz JBTONABPNYMCFQ-UHFFFAOYSA-N 0 0 348.407 0.582 10 0 ECAERN CNS(=O)(=O)c1cc(C(=O)N2CCN3CCCC[C@H]3C2)c(C)o1 ZINC000175894285 437124167 /nfs/dbraw/zinc/12/41/67/437124167.db2.gz OGMMTNPMUILNTC-LBPRGKRZSA-N 0 0 341.433 0.806 10 0 ECAERN COCC[C@@H](C)NC(=O)N[C@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000176208207 437135929 /nfs/dbraw/zinc/13/59/29/437135929.db2.gz MQNFMKJVFJMQIH-YPMHNXCESA-N 0 0 337.424 0.948 10 0 ECAERN COc1cc(C)ccc1NC(=O)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000177627432 437191946 /nfs/dbraw/zinc/19/19/46/437191946.db2.gz AXCSVLPNEVZFNP-LLVKDONJSA-N 0 0 329.360 0.665 10 0 ECAERN Cc1cc(C)n(C[C@H]2CN(C(=O)C(=O)Nc3ccn(C)n3)CCO2)n1 ZINC000177656404 437193947 /nfs/dbraw/zinc/19/39/47/437193947.db2.gz LEOBLGCDFZIQLN-CYBMUJFWSA-N 0 0 346.391 0.100 10 0 ECAERN CN(C[C@@H](c1cccs1)N1CCOCC1)C(=O)Cn1cnnn1 ZINC000177966070 437204435 /nfs/dbraw/zinc/20/44/35/437204435.db2.gz SPLUXXITNWNYLT-LBPRGKRZSA-N 0 0 336.421 0.267 10 0 ECAERN Cc1cc(F)ccc1-n1cc(C(=O)NC[C@H]2CN(C)CCO2)nn1 ZINC000179416459 437264927 /nfs/dbraw/zinc/26/49/27/437264927.db2.gz VWDHHPAUNXHEPR-ZDUSSCGKSA-N 0 0 333.367 0.775 10 0 ECAERN COC[C@H](NC(=O)N[C@@H]1CCCN(c2cc(C)nn2C)C1=O)C1CC1 ZINC000178739117 437227211 /nfs/dbraw/zinc/22/72/11/437227211.db2.gz PEGPTXOZMMWXTB-KGLIPLIRSA-N 0 0 349.435 0.948 10 0 ECAERN COCCn1cc(C[C@H]2NC(=O)N(CCc3ccccc3)C2=O)nn1 ZINC000328613279 437239815 /nfs/dbraw/zinc/23/98/15/437239815.db2.gz RKQGMMUWJBFSNK-OAHLLOKOSA-N 0 0 343.387 0.835 10 0 ECAERN Cc1noc([C@]2(O)CCN(S(=O)(=O)Cc3cccc(F)c3)C2)n1 ZINC000328611291 437240593 /nfs/dbraw/zinc/24/05/93/437240593.db2.gz LBVMMUZKZZIESZ-AWEZNQCLSA-N 0 0 341.364 0.940 10 0 ECAERN CCS(=O)(=O)N1CCc2c(ncn(CCOCC3CC3)c2=O)C1 ZINC000328644015 437247486 /nfs/dbraw/zinc/24/74/86/437247486.db2.gz RNLLXXWMMJUAJC-UHFFFAOYSA-N 0 0 341.433 0.378 10 0 ECAERN O=C(CNC(=O)N1CCC(Cn2cccn2)CC1)N1CCOCC1 ZINC000179773542 437272909 /nfs/dbraw/zinc/27/29/09/437272909.db2.gz GPDQKOIHPTWQNZ-UHFFFAOYSA-N 0 0 335.408 0.164 10 0 ECAERN O=C(Nc1c[nH]nc1-c1ccccn1)C(=O)N[C@H]1CCCC[C@H]1O ZINC000180597526 437297554 /nfs/dbraw/zinc/29/75/54/437297554.db2.gz CYPXDGQPXDFIRV-GXFFZTMASA-N 0 0 329.360 0.830 10 0 ECAERN CCS(=O)(=O)CCNC(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000181585184 437324699 /nfs/dbraw/zinc/32/46/99/437324699.db2.gz VYYGEXNFTKBBNG-LLVKDONJSA-N 0 0 343.453 0.450 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)N[C@H]2CC(=O)N(C(C)(C)C)C2)CC1 ZINC000181926506 437331982 /nfs/dbraw/zinc/33/19/82/437331982.db2.gz RFYKZIZCVBFDLA-KBPBESRZSA-N 0 0 340.468 0.484 10 0 ECAERN COC[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C(=O)N(C)C)O2)CC(C)(C)O1 ZINC000329704414 437404497 /nfs/dbraw/zinc/40/44/97/437404497.db2.gz JMKPNILLDOEWLE-XQQFMLRXSA-N 0 0 328.409 0.275 10 0 ECAERN CCCC(=O)N[C@H]1CCCN(C(=O)c2cn(CC3(C)COC3)nn2)C1 ZINC000184564559 437405405 /nfs/dbraw/zinc/40/54/05/437405405.db2.gz YVNSEZBGVJERBC-ZDUSSCGKSA-N 0 0 349.435 0.836 10 0 ECAERN CNc1cc(N2CCC[C@H]2CNC(=O)NCC(F)(F)CO)ncn1 ZINC000185010901 437422492 /nfs/dbraw/zinc/42/24/92/437422492.db2.gz UVZCUKKAWSNKOP-JTQLQIEISA-N 0 0 344.366 0.414 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NS(=O)(=O)N(CC)CC1CC1)CC2 ZINC000183899258 437392468 /nfs/dbraw/zinc/39/24/68/437392468.db2.gz QGYMBRCCBNKSRR-LBPRGKRZSA-N 0 0 327.454 0.722 10 0 ECAERN CCN(CC1CC1)S(=O)(=O)N1CCC[C@H](Cn2cncn2)C1 ZINC000184018767 437396857 /nfs/dbraw/zinc/39/68/57/437396857.db2.gz AUOFJJSPVWRUFN-CQSZACIVSA-N 0 0 327.454 0.967 10 0 ECAERN C[C@@H](NC(=O)c1cc2c(cn1)nc[nH]c2=O)c1nnc2n1CCCC2 ZINC000186580871 437477746 /nfs/dbraw/zinc/47/77/46/437477746.db2.gz YYYGJIHRYXPRMK-SECBINFHSA-N 0 0 339.359 0.737 10 0 ECAERN COCC(=O)NC1CN(C(=O)c2cnc3onc(C(C)C)c3c2)C1 ZINC000185285140 437434868 /nfs/dbraw/zinc/43/48/68/437434868.db2.gz HYPODGSCMFKBRJ-UHFFFAOYSA-N 0 0 332.360 0.933 10 0 ECAERN COCC(=O)NC1CN(C(=O)NCCc2sc(C)nc2C)C1 ZINC000185398181 437436403 /nfs/dbraw/zinc/43/64/03/437436403.db2.gz JKOOXSDPKICIHR-UHFFFAOYSA-N 0 0 326.422 0.459 10 0 ECAERN C/C=C/C[C@H](CO)NC(=O)N[C@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000185487379 437440563 /nfs/dbraw/zinc/44/05/63/437440563.db2.gz JFYTZLLTRNOTOJ-WEHDMVHDSA-N 0 0 349.435 0.850 10 0 ECAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)N1CCN(CC(C)C)C(=O)C1 ZINC000187475419 437506262 /nfs/dbraw/zinc/50/62/62/437506262.db2.gz WEYHAYOJEQEXOZ-CYBMUJFWSA-N 0 0 334.424 0.931 10 0 ECAERN CCOC(=O)CN(C)C(=O)CN1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000188098852 437526125 /nfs/dbraw/zinc/52/61/25/437526125.db2.gz LMBSDHPCFJWOPP-KBPBESRZSA-N 0 0 340.445 0.777 10 0 ECAERN Cc1ccc2ncc(C(=O)N3CC(NC(=O)C4CCC4)C3)c(=O)n2c1 ZINC000188488223 437551363 /nfs/dbraw/zinc/55/13/63/437551363.db2.gz SKBSAWQQHKYZEY-UHFFFAOYSA-N 0 0 340.383 0.744 10 0 ECAERN CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccn([C@@H](C)COC)n2)C1 ZINC000188570485 437557816 /nfs/dbraw/zinc/55/78/16/437557816.db2.gz ORGVTNRGVUIZEI-QWHCGFSZSA-N 0 0 337.424 0.630 10 0 ECAERN CC(=O)NC1CN(C(=O)[C@@H]2CC(=O)N(C)[C@H]2c2ccc(F)cc2)C1 ZINC000190524271 437629541 /nfs/dbraw/zinc/62/95/41/437629541.db2.gz GDENWQSBRHCKRA-ZBFHGGJFSA-N 0 0 333.363 0.692 10 0 ECAERN C[N@@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)CN2CSCC2=O)C1 ZINC000190575346 437631171 /nfs/dbraw/zinc/63/11/71/437631171.db2.gz QERNISCJTWRUKR-OAHLLOKOSA-N 0 0 348.472 0.895 10 0 ECAERN CCN1C(=O)CC[C@H](C(=O)N2CCO[C@H](C)C2)[C@H]1c1cnn(C)c1 ZINC000357850004 438082366 /nfs/dbraw/zinc/08/23/66/438082366.db2.gz CCMQPGZQHNEPCK-IVMMDQJWSA-N 0 0 334.420 0.967 10 0 ECAERN CC(=O)N1CCOC[C@H]1C(=O)N1CCN(c2cnccc2C)CC1 ZINC000366905273 438144034 /nfs/dbraw/zinc/14/40/34/438144034.db2.gz SYWQZDZRHMNRKH-INIZCTEOSA-N 0 0 332.404 0.286 10 0 ECAERN C[C@@H]1CSCCN1C(=O)N[C@@H]1CCC(=O)N[C@H]1[C@@H]1CCCO1 ZINC000378067734 438346160 /nfs/dbraw/zinc/34/61/60/438346160.db2.gz FBMUPHFLEQHMNL-NRWUCQMLSA-N 0 0 327.450 0.960 10 0 ECAERN Cc1nc(C)c(C(=O)Nc2ccc(S(=O)(=O)NCCO)cc2)o1 ZINC000408521529 438581340 /nfs/dbraw/zinc/58/13/40/438581340.db2.gz XRCYKVAVKAGMFG-UHFFFAOYSA-N 0 0 339.373 0.814 10 0 ECAERN CC[C@H](C)[C@@H](CO)NC(=O)COc1ccc(-c2nnn(C)n2)cc1 ZINC000606440310 439408385 /nfs/dbraw/zinc/40/83/85/439408385.db2.gz BEJNUVXZEWZUHK-SMDDNHRTSA-N 0 0 333.392 0.779 10 0 ECAERN O[C@@]1(c2cn[nH]n2)CCCN(c2ncncc2Br)C1 ZINC000583616694 439486003 /nfs/dbraw/zinc/48/60/03/439486003.db2.gz CRVXMJNDGFJIHD-NSHDSACASA-N 0 0 325.170 0.845 10 0 ECAERN C[C@H]1CN(C(=O)OC(C)(C)C)CCN1[C@@H]1C[NH2+]C[C@H](C(=O)[O-])C1 ZINC000536957214 439540525 /nfs/dbraw/zinc/54/05/25/439540525.db2.gz CMPIPHCAUVTXMR-XQQFMLRXSA-N 0 0 327.425 0.990 10 0 ECAERN COc1cc2c(cc1OC)/C(=C/C(=O)OCCOC(C)=O)NC2=O ZINC000584661073 439607630 /nfs/dbraw/zinc/60/76/30/439607630.db2.gz LZTZKRNYQWEDLU-WQLSENKSSA-N 0 0 335.312 0.894 10 0 ECAERN COc1ccc2c(c1)CN(C(=O)CN1CCCC[C@@H](O)C1=O)CC2 ZINC000644346027 440539900 /nfs/dbraw/zinc/53/99/00/440539900.db2.gz WPPJFAZXEWXPAY-MRXNPFEDSA-N 0 0 332.400 0.953 10 0 ECAERN C[N@@H+](CC(=O)[O-])C[C@H]1CN(Cc2cccc3c2CCOC3)CCO1 ZINC000635018013 440730598 /nfs/dbraw/zinc/73/05/98/440730598.db2.gz XJYXZVDYBQLSJU-INIZCTEOSA-N 0 0 334.416 0.977 10 0 ECAERN CN(C)C(=O)CCNC(=O)[C@@H]1CC[C@H](C(=O)[O-])N1Cc1ccccc1 ZINC000630659380 440933523 /nfs/dbraw/zinc/93/35/23/440933523.db2.gz SECFKQNDZUZUTK-LSDHHAIUSA-N 0 0 347.415 0.699 10 0 ECAERN CCCN(C(=O)NCCn1cc(C)cn1)[C@H]1CCS(=O)(=O)C1 ZINC000180605543 320524788 /nfs/dbraw/zinc/52/47/88/320524788.db2.gz UYCOXBOUVDUPCW-ZDUSSCGKSA-N 0 0 328.438 0.800 10 0 ECAERN CC(C)c1nnc2n1C[C@H](NC(=O)N1C[C@@H](C)O[C@@H](CO)C1)CC2 ZINC000190203005 320539645 /nfs/dbraw/zinc/53/96/45/320539645.db2.gz NWUJVKFJUTVUGB-JHJVBQTASA-N 0 0 337.424 0.508 10 0 ECAERN CO[C@@H](C)CS(=O)(=O)N1CCO[C@@H](Cn2nc(C)cc2C)C1 ZINC000249447467 320546443 /nfs/dbraw/zinc/54/64/43/320546443.db2.gz FVWHUXQEOMZGFJ-UONOGXRCSA-N 0 0 331.438 0.565 10 0 ECAERN COCCOc1ccc(S(=O)(=O)N2C[C@H](OC)C[C@H]2CO)cc1 ZINC000323741659 320720239 /nfs/dbraw/zinc/72/02/39/320720239.db2.gz QFYRBEUFEANKEK-GXTWGEPZSA-N 0 0 345.417 0.482 10 0 ECAERN CS(=O)(=O)N1CCCN(C(=O)C[C@@H]2CCCCC(=O)N2)CC1 ZINC000328673429 320726726 /nfs/dbraw/zinc/72/67/26/320726726.db2.gz PBHFXCOKRMHNRN-LBPRGKRZSA-N 0 0 331.438 0.770 10 0 ECAERN C[C@@H](CC(=O)N1CCCN(S(C)(=O)=O)CC1)N1CCCCC1=O ZINC000328696080 320727748 /nfs/dbraw/zinc/72/77/48/320727748.db2.gz KSASWIKIZGKDSA-ZDUSSCGKSA-N 0 0 345.465 0.271 10 0 ECAERN CN(C(=O)N1CCC[C@](O)(C(=O)N2CCCC2)C1)C1CCOCC1 ZINC000328895915 320739597 /nfs/dbraw/zinc/73/95/97/320739597.db2.gz BSALXGISAQQAGF-QGZVFWFLSA-N 0 0 339.436 0.667 10 0 ECAERN O=C([C@H]1CC(=O)N(c2cn[nH]c2)C1)N1CCC(Cc2ncc[nH]2)CC1 ZINC000329162843 320757298 /nfs/dbraw/zinc/75/72/98/320757298.db2.gz GEQXKJZUIYEYFS-ZDUSSCGKSA-N 0 0 342.403 0.967 10 0 ECAERN Cc1cc(C)n2nc(CC(=O)N3CCO[C@@]4(CCCOC4)C3)nc2n1 ZINC000329186842 320758795 /nfs/dbraw/zinc/75/87/95/320758795.db2.gz QQGISKDPHRIRKJ-KRWDZBQOSA-N 0 0 345.403 0.692 10 0 ECAERN C[C@@H]1CCN(S(=O)(=O)C2CN(C(=O)c3ccccc3)C2)C[C@@H]1O ZINC000329524730 320776969 /nfs/dbraw/zinc/77/69/69/320776969.db2.gz GWTFALOAPWLVGE-DOMZBBRYSA-N 0 0 338.429 0.544 10 0 ECAERN CCCN(CC1CC1)S(=O)(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000329652025 320783260 /nfs/dbraw/zinc/78/32/60/320783260.db2.gz KPWDQMUVZJGLCP-HNNXBMFYSA-N 0 0 331.482 0.760 10 0 ECAERN CC(C)C[C@H]1C(=O)NCCN1C(=O)[C@@H]1CC[C@H](C(=O)N(C)C)O1 ZINC000329715975 320786195 /nfs/dbraw/zinc/78/61/95/320786195.db2.gz VUBKILCPQMGXHV-XQQFMLRXSA-N 0 0 325.409 0.836 10 0 ECAERN CCn1cc(S(=O)(=O)N2CC[C@@H](N3CCOCC3)[C@H]2C)nc1C ZINC000329855280 320791837 /nfs/dbraw/zinc/79/18/37/320791837.db2.gz TYVQLSCKZNEGCK-TZMCWYRMSA-N 0 0 342.465 0.695 10 0 ECAERN O=C([C@@H]1COCCO1)N1CCNC(=O)[C@H]1Cc1nc2ccccc2o1 ZINC000329925321 320795833 /nfs/dbraw/zinc/79/58/33/320795833.db2.gz VIVMBTQQYAMJIJ-OCCSQVGLSA-N 0 0 345.355 0.953 10 0 ECAERN CO[C@@H]1CN(C(=O)c2c(C)nn(C)c2-n2cc(C)cn2)C[C@H]1OC ZINC000330154027 320807538 /nfs/dbraw/zinc/80/75/38/320807538.db2.gz XOCDQPSNIZQXKV-CHWSQXEVSA-N 0 0 333.392 0.708 10 0 ECAERN O=C([C@H]1CC[C@H](C(=O)N2CCCOCC2)O1)N1CCCOCC1 ZINC000330266725 320813501 /nfs/dbraw/zinc/81/35/01/320813501.db2.gz QBFYCMPBILBUHY-ZIAGYGMSSA-N 0 0 326.393 0.032 10 0 ECAERN O=C(CN1c2ccccc2CCCC1=O)N1CCN2C(=O)NC[C@@H]2C1 ZINC000330269245 320813953 /nfs/dbraw/zinc/81/39/53/320813953.db2.gz JDYZZKIVBUWZEW-CQSZACIVSA-N 0 0 342.399 0.796 10 0 ECAERN NC(=O)[C@H]1COCCN1CC(=O)Nc1nc(-c2ccco2)cs1 ZINC000179730054 534462909 /nfs/dbraw/zinc/46/29/09/534462909.db2.gz DOHQCBKYQRFQKP-SNVBAGLBSA-N 0 0 336.373 0.528 10 0 ECAERN O=C(Nc1cnn(CC(F)F)c1)C(=O)N[C@H]1CCCC[C@H]1CO ZINC000158285509 534465677 /nfs/dbraw/zinc/46/56/77/534465677.db2.gz FVFWDGFIWPXTBB-ONGXEEELSA-N 0 0 330.335 0.754 10 0 ECAERN O=C(NC[C@H](O)CN1CCOCC1)c1ccc(OC(F)F)cc1 ZINC000154130078 534625959 /nfs/dbraw/zinc/62/59/59/534625959.db2.gz GNGNVOYUQLXVPQ-LBPRGKRZSA-N 0 0 330.331 0.711 10 0 ECAERN CC(=O)N1CC(C(=O)N2CCN(C[C@@H](O)c3ccccc3)CC2)C1 ZINC000191830564 526514103 /nfs/dbraw/zinc/51/41/03/526514103.db2.gz AZAYOQDHUSLBNV-QGZVFWFLSA-N 0 0 331.416 0.343 10 0 ECAERN CC(C)(C)[C@@H](NC(=O)[C@@H]1CNC(=O)C1)c1nc(-c2nc[nH]n2)no1 ZINC000154649401 526635733 /nfs/dbraw/zinc/63/57/33/526635733.db2.gz HLSKRPNERXCFPS-CBAPKCEASA-N 0 0 333.352 0.194 10 0 ECAERN CC(=O)NC1CN(C(=O)C(=O)Nc2c[nH]nc2-c2ccccc2)C1 ZINC000191342330 526704709 /nfs/dbraw/zinc/70/47/09/526704709.db2.gz NAJCXCPQASHHHL-UHFFFAOYSA-N 0 0 327.344 0.362 10 0 ECAERN CC(C)(C)n1nccc1NC(=O)C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000187980481 526940321 /nfs/dbraw/zinc/94/03/21/526940321.db2.gz WEFGPRDKGKQSSX-UHFFFAOYSA-N 0 0 333.392 0.314 10 0 ECAERN CC(C)[C@@H](O)CC(=O)NCC(=O)N1CCN(Cc2ccccc2)CC1 ZINC000158469754 528614349 /nfs/dbraw/zinc/61/43/49/528614349.db2.gz ANDPZGNWDNPWLU-KRWDZBQOSA-N 0 0 347.459 0.854 10 0 ECAERN CCOC(=O)CN(C)C(=O)CN1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000171923083 528783160 /nfs/dbraw/zinc/78/31/60/528783160.db2.gz DNVWHIMBZQZCHE-ZDUSSCGKSA-N 0 0 338.408 0.654 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)Nc2cccnc2-n2cncn2)CC1 ZINC000181191305 529227704 /nfs/dbraw/zinc/22/77/04/529227704.db2.gz MQSILVUEKIBWDU-CYBMUJFWSA-N 0 0 345.407 0.583 10 0 ECAERN CCOC(=O)C1CCN(c2ncnc(N(CC)CCO)c2N)CC1 ZINC000040736013 535604262 /nfs/dbraw/zinc/60/42/62/535604262.db2.gz ASHZBZIHHYVFDI-UHFFFAOYSA-N 0 0 337.424 0.657 10 0 ECAERN O=C1CN(C[C@H](O)COc2cccc(Br)c2)CCN1 ZINC000078254797 545693637 /nfs/dbraw/zinc/69/36/37/545693637.db2.gz YGEFJTUOBNGVIS-NSHDSACASA-N 0 0 329.194 0.621 10 0 ECAERN Cc1ccc(F)c(-n2nnnc2C[S@@](=O)CC(=O)NC2CC2)c1 ZINC000084147651 545709858 /nfs/dbraw/zinc/70/98/58/545709858.db2.gz XJYUSSBXOTWTTA-QHCPKHFHSA-N 0 0 337.380 0.637 10 0 ECAERN CC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2cnn(C(C)(C)C)c2)C1 ZINC000151644046 545811734 /nfs/dbraw/zinc/81/17/34/545811734.db2.gz HKPNLRCHCGDDBO-LBPRGKRZSA-N 0 0 335.408 0.704 10 0 ECAERN C[C@@H](O)CN1CCN(C(=O)C(=O)Nc2cnn(CC3CC3)c2)C[C@H]1C ZINC000177970807 545877332 /nfs/dbraw/zinc/87/73/32/545877332.db2.gz SGDPBIHPNKYYOO-CHWSQXEVSA-N 0 0 349.435 0.145 10 0 ECAERN CN1CCc2ccc(NC(=O)NC[C@H](O)CN3CCOCC3)cc21 ZINC000180286881 545882662 /nfs/dbraw/zinc/88/26/62/545882662.db2.gz VMNWCPGVHPPNFD-HNNXBMFYSA-N 0 0 334.420 0.494 10 0 ECAERN CNC(=O)[C@H](NCCS(=O)(=O)c1cccc(OC)c1)C(C)C ZINC000183651105 545892919 /nfs/dbraw/zinc/89/29/19/545892919.db2.gz QDVZYVPZDVXPFM-CQSZACIVSA-N 0 0 328.434 0.829 10 0 ECAERN COCC(=O)NC1CN(C(=O)c2ccn(-c3cccc(F)c3)n2)C1 ZINC000186318200 545897002 /nfs/dbraw/zinc/89/70/02/545897002.db2.gz PDWBAEMSKLCVQP-UHFFFAOYSA-N 0 0 332.335 0.598 10 0 ECAERN O=C(NC[C@H](O)CN1CCOCC1)c1c[nH]nc1-c1ccsc1 ZINC000187804225 545901779 /nfs/dbraw/zinc/90/17/79/545901779.db2.gz ILQIITKXYYUSAN-LBPRGKRZSA-N 0 0 336.417 0.561 10 0 ECAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CCO[C@]2(CCc3ccccc32)C1 ZINC000189346029 545905188 /nfs/dbraw/zinc/90/51/88/545905188.db2.gz CNMJGKQHLHFSQR-SZVBFZGTSA-N 0 0 344.411 0.669 10 0 ECAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N(C)C[C@@H](O)C(F)(F)F ZINC000252830904 545945984 /nfs/dbraw/zinc/94/59/84/545945984.db2.gz RRZZNZBCCGWXRL-VHSXEESVSA-N 0 0 346.371 0.572 10 0 ECAERN CCn1cc(O[C@@H]2CN(S(=O)(=O)c3ccccc3)C[C@H]2O)cn1 ZINC000625308942 547067308 /nfs/dbraw/zinc/06/73/08/547067308.db2.gz BLQGORMESISHSE-HUUCEWRRSA-N 0 0 337.401 0.716 10 0 ECAERN Cn1cc(O[C@@H]2CN(S(=O)(=O)C3CCCCC3)C[C@H]2O)cn1 ZINC000625315957 547068121 /nfs/dbraw/zinc/06/81/21/547068121.db2.gz XPQMOIFPMIOSGJ-ZIAGYGMSSA-N 0 0 329.422 0.507 10 0 ECAERN O=C(CN1CC[C@](O)(Cn2ccnn2)C1)NCc1ccccc1F ZINC000671552408 548182201 /nfs/dbraw/zinc/18/22/01/548182201.db2.gz LGFSKHMGWMBLHN-MRXNPFEDSA-N 0 0 333.367 0.170 10 0 ECAERN CCn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2ccc(NC)nc2)cn1 ZINC000685940137 549726889 /nfs/dbraw/zinc/72/68/89/549726889.db2.gz WLXVZYMVTBGIFB-UONOGXRCSA-N 0 0 331.376 0.916 10 0 ECAERN C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1[C@@H]1C[NH2+]C[C@H](C(=O)[O-])C1 ZINC000675060253 564112277 /nfs/dbraw/zinc/11/22/77/564112277.db2.gz CMPIPHCAUVTXMR-UPJWGTAASA-N 0 0 327.425 0.990 10 0 ECAERN CCn1cc(C(=O)N2CCN3C(=O)NC[C@H]3C2)c(C2CCOCC2)n1 ZINC000888076005 586245353 /nfs/dbraw/zinc/24/53/53/586245353.db2.gz MUYVGXRYHDUWSC-ZDUSSCGKSA-N 0 0 347.419 0.647 10 0 ECAERN Cc1cnn([C@H]2[C@H](O)C[C@@H]2NC(=O)Cc2ccc3c(c2)OCCO3)c1 ZINC000888077275 586245798 /nfs/dbraw/zinc/24/57/98/586245798.db2.gz YRXYGKMOEVOHJO-PMUMKWKESA-N 0 0 343.383 0.996 10 0 ECAERN Cc1nnc2ccc(C(=O)N[C@H]3COC[C@H]3Oc3cnn(C)c3)cn12 ZINC000888094432 586348814 /nfs/dbraw/zinc/34/88/14/586348814.db2.gz OJGOCWVKFMBIFL-UONOGXRCSA-N 0 0 342.359 0.347 10 0 ECAERN Cn1cc(C(=O)N[C@@H]2CCCC[C@@H]2Cc2nn(C)c(=O)n2C)cn1 ZINC000888094586 586348870 /nfs/dbraw/zinc/34/88/70/586348870.db2.gz DDIDXNXBRQQQKR-DGCLKSJQSA-N 0 0 332.408 0.384 10 0 ECAERN Cc1noc([C@@]2(O)CCN(Cc3nc(Br)c[nH]3)C2)n1 ZINC000894489072 586396532 /nfs/dbraw/zinc/39/65/32/586396532.db2.gz OSLLBOJVYUNLGW-LLVKDONJSA-N 0 0 328.170 0.957 10 0 ECAERN C[C@@H](NC(=O)[C@H]1OCCN(C)C1=O)c1ccc(S(C)(=O)=O)cc1 ZINC000900034007 586519764 /nfs/dbraw/zinc/51/97/64/586519764.db2.gz OURATJKSJUVFQQ-ZWNOBZJWSA-N 0 0 340.401 0.125 10 0 ECAERN O=C(N[C@@H]1CCCNC1=O)c1c[nH]cc2nc(C(F)(F)F)nc1-2 ZINC000900441494 586631780 /nfs/dbraw/zinc/63/17/80/586631780.db2.gz NXZJBPAEUPJWKA-SSDOTTSWSA-N 0 0 327.266 0.985 10 0 ECAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)CNC(=O)N3CCCC3)C2)n1 ZINC000900737840 586661407 /nfs/dbraw/zinc/66/14/07/586661407.db2.gz BBMFTHSPNRVRPF-OAHLLOKOSA-N 0 0 348.451 0.939 10 0 ECAERN Cc1nnc2n1C[C@H](C(N)=O)N(C(=O)CCc1ccc(F)cc1F)C2 ZINC000818350262 587424706 /nfs/dbraw/zinc/42/47/06/587424706.db2.gz LHMPPUFDVHPGRO-CYBMUJFWSA-N 0 0 349.341 0.694 10 0 ECAERN C[C@@H]1CN(Cn2nc(-c3ccc(F)cc3)oc2=O)C[C@@H](C(N)=O)O1 ZINC000120174520 590093211 /nfs/dbraw/zinc/09/32/11/590093211.db2.gz GEDUHGLIOGEXEF-SKDRFNHKSA-N 0 0 336.323 0.175 10 0 ECAERN CN(C)c1nc([C@H]2CCN(C(=O)CCc3cnn(C)c3)C2)cc(=O)[nH]1 ZINC000864842089 590110649 /nfs/dbraw/zinc/11/06/49/590110649.db2.gz MJRHZOGWMWSQBG-ZDUSSCGKSA-N 0 0 344.419 0.930 10 0 ECAERN CC(C)(CNC(=O)C[C@H]1CS(=O)(=O)CCN1)c1cccs1 ZINC000127681953 590583907 /nfs/dbraw/zinc/58/39/07/590583907.db2.gz UCFZITMMUVBHAU-NSHDSACASA-N 0 0 330.475 0.919 10 0 ECAERN Cc1csc([C@@H]2CN(Cn3nc4cnccn4c3=O)CCO2)n1 ZINC000132035521 590623669 /nfs/dbraw/zinc/62/36/69/590623669.db2.gz XMHOFQKKSJOTCV-NSHDSACASA-N 0 0 332.389 0.687 10 0 ECAERN Cc1nccn1C[C@H]1CCCN1Cn1nnc2c(cnn2C)c1=O ZINC000132761220 590662825 /nfs/dbraw/zinc/66/28/25/590662825.db2.gz VXBJFZYIGOQHAU-GFCCVEGCSA-N 0 0 328.380 0.152 10 0 ECAERN CCN1C(=O)CO[C@@H](CNC(=O)C=C2CCC2)[C@@H]1c1nccn1C ZINC000886027132 590786890 /nfs/dbraw/zinc/78/68/90/590786890.db2.gz HFRFKBWBMXUVRA-XJKSGUPXSA-N 0 0 332.404 0.935 10 0 ECAERN CCn1nncc1C(=O)NC[C@@H]1OCCN(CC)[C@H]1c1nccn1C ZINC000886027121 590787284 /nfs/dbraw/zinc/78/72/84/590787284.db2.gz GNANVDASBKYOGW-UONOGXRCSA-N 0 0 347.423 0.223 10 0 ECAERN CCN1CCO[C@@H](CNC(=O)Cc2ccon2)[C@@H]1c1ccnn1C ZINC000886066148 590789822 /nfs/dbraw/zinc/78/98/22/590789822.db2.gz ZKGKBXQRAWKNFH-HOCLYGCPSA-N 0 0 333.392 0.529 10 0 ECAERN COc1cc(C(=O)N2CCN([C@]3(C(N)=O)CCOC3)CC2)ccc1C ZINC000886078418 590791769 /nfs/dbraw/zinc/79/17/69/590791769.db2.gz YUYCRQQNMZFLKJ-GOSISDBHSA-N 0 0 347.415 0.406 10 0 ECAERN Cn1cc([C@@H]2[C@@H](CNS(=O)(=O)C3CC3)CCC(=O)N2C)cn1 ZINC000886095397 590794260 /nfs/dbraw/zinc/79/42/60/590794260.db2.gz VBNKGUWAXVMHNG-YGRLFVJLSA-N 0 0 326.422 0.411 10 0 ECAERN Cn1cnnc1C[C@@]1(O)CCCN(C(=O)c2cccc3[nH]ncc32)C1 ZINC000886095311 590794359 /nfs/dbraw/zinc/79/43/59/590794359.db2.gz REHUJASBJZDFCP-KRWDZBQOSA-N 0 0 340.387 0.901 10 0 ECAERN CCn1cnc2c1ncnc2N1CC[NH+]([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC000886094744 590794811 /nfs/dbraw/zinc/79/48/11/590794811.db2.gz CPGRUSFXULUXFB-INIZCTEOSA-N 0 0 346.391 0.212 10 0 ECAERN C[C@H](CNC(=O)c1cnn(-c2ccc(F)cc2)n1)N1CCOCC1 ZINC000155915749 611442331 /nfs/dbraw/zinc/44/23/31/611442331.db2.gz NTIBQBCXVJGHLJ-GFCCVEGCSA-N 0 0 333.367 0.857 10 0 ECAERN CCS(=O)(=O)C1CCN(CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)CC1 ZINC000194356054 608609098 /nfs/dbraw/zinc/60/90/98/608609098.db2.gz HCZGPAGMZCNABL-ZIAGYGMSSA-N 0 0 340.445 0.794 10 0 ECAERN C[C@H](OC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)c1cccs1 ZINC000051902027 608847616 /nfs/dbraw/zinc/84/76/16/608847616.db2.gz UEIOKAOKANDSIK-VIFPVBQESA-N 0 0 348.384 0.800 10 0 ECAERN CN(C(=O)C1CN(S(C)(=O)=O)C1)[C@H]1CCO[C@@H]1c1cccnc1 ZINC000908096946 609643960 /nfs/dbraw/zinc/64/39/60/609643960.db2.gz DDMKYTMBQLEAOZ-UONOGXRCSA-N 0 0 339.417 0.261 10 0 ECAERN O=C(CNC(=O)Cc1ccccc1)N[C@@H]1C[C@H](O)[C@@H]1n1cccn1 ZINC000909154351 609678870 /nfs/dbraw/zinc/67/88/70/609678870.db2.gz KOMHRTAVBRCXFM-JKIFEVAISA-N 0 0 328.372 0.033 10 0 ECAERN CCNC(=O)CCn1c2ccccc2nc(N2CCOCC2)c1=O ZINC000222918578 609706038 /nfs/dbraw/zinc/70/60/38/609706038.db2.gz CUWSATGZNNNVMQ-UHFFFAOYSA-N 0 0 330.388 0.759 10 0 ECAERN CN(C)C(=O)CNC(=O)[C@H]1CCC(=O)N1Cc1c[nH]c2ccccc12 ZINC000223378847 609710239 /nfs/dbraw/zinc/71/02/39/609710239.db2.gz JFISMNWWXGJUBE-OAHLLOKOSA-N 0 0 342.399 0.863 10 0 ECAERN Cn1cnc(C(=O)N2CC[C@H](C3CCN(S(C)(=O)=O)CC3)C2)c1 ZINC000169781940 609746259 /nfs/dbraw/zinc/74/62/59/609746259.db2.gz DFGNEKFOKDWTBK-ZDUSSCGKSA-N 0 0 340.449 0.554 10 0 ECAERN O=C(c1cc(N2CCNC2=O)ccc1Cl)N1CCOC[C@H]1CO ZINC000912419243 609956913 /nfs/dbraw/zinc/95/69/13/609956913.db2.gz BBLSPELXXGXRCN-LLVKDONJSA-N 0 0 339.779 0.703 10 0 ECAERN CNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCOC[C@H]2CO)c1 ZINC000912426380 609958267 /nfs/dbraw/zinc/95/82/67/609958267.db2.gz CWNFYMXOSRQHPT-SECBINFHSA-N 0 0 348.808 0.081 10 0 ECAERN CCCS(=O)(=O)CC(=O)N[C@@H]1CCO[C@H]1c1c(C)nn(C)c1C ZINC000913092068 610036149 /nfs/dbraw/zinc/03/61/49/610036149.db2.gz ZZLYIXOZOBSQCR-IUODEOHRSA-N 0 0 343.449 0.808 10 0 ECAERN O=C(NCCCc1nnc2ccccn21)[C@H]1NCCc2nc[nH]c21 ZINC000072480387 610970896 /nfs/dbraw/zinc/97/08/96/610970896.db2.gz GMJKMLXTQUWTHV-HNNXBMFYSA-N 0 0 325.376 0.388 10 0 ECAERN O=C(NCCCc1nnc2ccccn21)[C@@H]1NCCc2nc[nH]c21 ZINC000072480388 610970930 /nfs/dbraw/zinc/97/09/30/610970930.db2.gz GMJKMLXTQUWTHV-OAHLLOKOSA-N 0 0 325.376 0.388 10 0 ECAERN CCc1nn(C)c(Cl)c1CN1CCN(CCOCCO)CC1 ZINC000132968168 611346872 /nfs/dbraw/zinc/34/68/72/611346872.db2.gz OGUROEBPBDPUSK-UHFFFAOYSA-N 0 0 330.860 0.762 10 0 ECAERN CCn1ccnc1CN1CCN(C[C@@H]2CCCS2(=O)=O)CC1 ZINC000929543054 611763203 /nfs/dbraw/zinc/76/32/03/611763203.db2.gz PVUFUDQOTKYSPM-AWEZNQCLSA-N 0 0 326.466 0.598 10 0 ECAERN COc1cccc(C2=NO[C@@H](C(=O)N[C@@H]3CCc4ncnn4C3)C2)c1 ZINC000194302275 612168165 /nfs/dbraw/zinc/16/81/65/612168165.db2.gz LAKVLBVBLJBOCU-IUODEOHRSA-N 0 0 341.371 0.911 10 0 ECAERN COCCN1CCN(C(=O)C(=O)NCc2ccc(F)cc2)C[C@H]1C ZINC000173806099 231039701 /nfs/dbraw/zinc/03/97/01/231039701.db2.gz YKTOCLQAPDKOKF-CYBMUJFWSA-N 0 0 337.395 0.621 10 0 ECAERN C[C@H]1CN(C(=O)CCNC(=O)c2ccco2)C[C@H]1N1CCOCC1 ZINC000173826071 231044666 /nfs/dbraw/zinc/04/46/66/231044666.db2.gz KPXUZHOUJNPIQD-UONOGXRCSA-N 0 0 335.404 0.579 10 0 ECAERN C[C@@H]1CN(C(=O)c2ccnc(-n3cncn3)c2)C[C@@H]1N1CCOCC1 ZINC000173888994 231061512 /nfs/dbraw/zinc/06/15/12/231061512.db2.gz ZEDSIQXEOHBPKM-HIFRSBDPSA-N 0 0 342.403 0.455 10 0 ECAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCNC(=O)[C@@H]1C(C)C ZINC000153130813 529749753 /nfs/dbraw/zinc/74/97/53/529749753.db2.gz KOUMCGACSFVHHG-AAEUAGOBSA-N 0 0 334.424 0.841 10 0 ECAERN CN1CCO[C@@H](C(=O)N2CCN(C[C@H](O)c3ccccc3)CC2)C1 ZINC000174651386 529781318 /nfs/dbraw/zinc/78/13/18/529781318.db2.gz BZZLGWYDWLJSSJ-DLBZAZTESA-N 0 0 333.432 0.195 10 0 ECAERN CN1CC[C@H](NC(=O)N2CCN(C[C@H](O)c3ccccc3)CC2)C1=O ZINC000163865156 529805500 /nfs/dbraw/zinc/80/55/00/529805500.db2.gz SWIAYJRDSPNFRQ-HOTGVXAUSA-N 0 0 346.431 0.278 10 0 ECAERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1cccc2cnccc21 ZINC000166719404 529901720 /nfs/dbraw/zinc/90/17/20/529901720.db2.gz JRLHCDJZKBMVQG-AWEZNQCLSA-N 0 0 326.356 0.910 10 0 ECAERN CNC(=O)[C@H]1CCCN1C(=O)N[C@H]1CCN(c2ccccc2F)C1=O ZINC000158475384 529924013 /nfs/dbraw/zinc/92/40/13/529924013.db2.gz QUDNAIPMJVWRLH-GXTWGEPZSA-N 0 0 348.378 0.851 10 0 ECAERN CN(C[C@@H](c1cccs1)N1CCOCC1)C(=O)C(=O)NC1CC1 ZINC000177966391 529944458 /nfs/dbraw/zinc/94/44/58/529944458.db2.gz DLPLKNIKDCJNDJ-ZDUSSCGKSA-N 0 0 337.445 0.858 10 0 ECAERN CN(Cc1n[nH]c(=O)n1CCc1ccccc1F)S(C)(=O)=O ZINC000065431382 214907347 /nfs/dbraw/zinc/90/73/47/214907347.db2.gz AGCMMFHEQBZSRL-UHFFFAOYSA-N 0 0 328.369 0.345 10 0 ECAERN C[C@@H](CNC(=O)CNC(=O)CCC1CCCC1)N1CCOCC1 ZINC000102329985 219194922 /nfs/dbraw/zinc/19/49/22/219194922.db2.gz ZGLPEHNCEHCAOA-AWEZNQCLSA-N 0 0 325.453 0.910 10 0 ECAERN C[C@H](CNC(=O)Nc1cccnc1-n1cncn1)N1CCOCC1 ZINC000066670790 215067797 /nfs/dbraw/zinc/06/77/97/215067797.db2.gz QOGAYALWEOXZOH-GFCCVEGCSA-N 0 0 331.380 0.505 10 0 ECAERN COC[C@@H](C)C(=O)Nc1ncn(CC(=O)NCc2ccccc2)n1 ZINC000103391287 219296037 /nfs/dbraw/zinc/29/60/37/219296037.db2.gz QIEFOYJPYBTXDQ-GFCCVEGCSA-N 0 0 331.376 0.816 10 0 ECAERN COCCCNC(=O)[C@H](C)N1CCN(C(=O)N[C@H]2C[C@H]2C)CC1 ZINC000103516480 219311217 /nfs/dbraw/zinc/31/12/17/219311217.db2.gz QEXIKNFQVPDBER-RDBSUJKOSA-N 0 0 326.441 0.263 10 0 ECAERN COCCCn1c(C)cc(C(=O)CN2CCOC[C@@H]2C(N)=O)c1C ZINC000179735635 233379217 /nfs/dbraw/zinc/37/92/17/233379217.db2.gz CWIMPSYKTSEGIJ-OAHLLOKOSA-N 0 0 337.420 0.510 10 0 ECAERN Cc1cc(C(=O)N2CCOC[C@@H]2C(N)=O)nn1-c1ccc(F)cc1 ZINC000181026156 234065383 /nfs/dbraw/zinc/06/53/83/234065383.db2.gz YBWAVDFLALTIRG-CQSZACIVSA-N 0 0 332.335 0.646 10 0 ECAERN COCC(=O)NCc1nc2ccccc2n1CC(=O)N1CCCC1 ZINC000040275581 213286947 /nfs/dbraw/zinc/28/69/47/213286947.db2.gz KADHVNFIERYTLD-UHFFFAOYSA-N 0 0 330.388 0.921 10 0 ECAERN NC(=O)[C@@H]1COCCN1S(=O)(=O)c1ccc(-n2cccc2)cc1 ZINC000184009462 235284676 /nfs/dbraw/zinc/28/46/76/235284676.db2.gz WXOSAYFCLVNLFT-AWEZNQCLSA-N 0 0 335.385 0.352 10 0 ECAERN O=S(=O)(N[C@H]1CCc2ncnn2C1)c1cnn(CC(F)F)c1 ZINC000186985017 236086830 /nfs/dbraw/zinc/08/68/30/236086830.db2.gz WUCXMGHNJSXYDZ-QMMMGPOBSA-N 0 0 332.336 0.033 10 0 ECAERN COc1ccc(C(=O)Cn2c(C=O)nc3c2c(=O)[nH]c(=O)n3C)cc1 ZINC000036075857 213059498 /nfs/dbraw/zinc/05/94/98/213059498.db2.gz IVQDGAFTQYLBOB-UHFFFAOYSA-N 0 0 342.311 0.127 10 0 ECAERN COC(=O)c1ccc2c(c1)nc(N1C[C@@H]3C[C@@H](O)[C@@H](O)C[C@@H]3C1)n2C ZINC000072138934 216025689 /nfs/dbraw/zinc/02/56/89/216025689.db2.gz FLMCSTABTXFRNP-CRJCFHLZSA-N 0 0 345.399 0.928 10 0 ECAERN C[C@H]1OCCN[C@@H]1C(=O)N1CCS(=O)(=O)C2(CCCCC2)C1 ZINC000261933478 291210176 /nfs/dbraw/zinc/21/01/76/291210176.db2.gz LYTVJOVEOCKXHM-OLZOCXBDSA-N 0 0 330.450 0.323 10 0 ECAERN CCNC(=O)CNS(=O)(=O)c1cc(Br)ccc1N ZINC000037929661 213173235 /nfs/dbraw/zinc/17/32/35/213173235.db2.gz OREORRVQPVIMQY-UHFFFAOYSA-N 0 0 336.211 0.446 10 0 ECAERN CSc1nc2nc(C)c3c(ccn(-n4c(C)nnc4C)c3=O)n2n1 ZINC000072449594 216238620 /nfs/dbraw/zinc/23/86/20/216238620.db2.gz MQKPEFOBXQQBBE-UHFFFAOYSA-N 0 0 342.388 0.989 10 0 ECAERN COC(=O)c1cnn2c1nnc1c(=O)n(-c3ccccc3O)ccc12 ZINC000072466112 216248146 /nfs/dbraw/zinc/24/81/46/216248146.db2.gz NBRPGGFLFKSCSZ-UHFFFAOYSA-N 0 0 337.295 0.921 10 0 ECAERN Cc1cnn(C[C@H]2CN(C(=O)NCCOCC(F)F)CCO2)c1 ZINC000191600536 239204830 /nfs/dbraw/zinc/20/48/30/239204830.db2.gz DLHYVHAISWPGKI-GFCCVEGCSA-N 0 0 332.351 0.884 10 0 ECAERN Cc1nc(Cl)ccc1NC(=O)C(=O)NC[C@H]1CN(C)CCO1 ZINC000192970004 239958402 /nfs/dbraw/zinc/95/84/02/239958402.db2.gz SFYUYUDBQFJASD-JTQLQIEISA-N 0 0 326.784 0.429 10 0 ECAERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(C(F)(F)F)cn1 ZINC000193558264 240212618 /nfs/dbraw/zinc/21/26/18/240212618.db2.gz SOGDBBAKCWPWLM-VIFPVBQESA-N 0 0 344.293 0.776 10 0 ECAERN O=C(NC1CN(S(=O)(=O)c2cccc3nsnc32)C1)C1CC1 ZINC000194807879 240722487 /nfs/dbraw/zinc/72/24/87/240722487.db2.gz NZUVYVMHEFUBAQ-UHFFFAOYSA-N 0 0 338.414 0.590 10 0 ECAERN Cc1ccc([C@H](C)NC(=O)N2CCN(CCS(N)(=O)=O)CC2)o1 ZINC000195500343 240973019 /nfs/dbraw/zinc/97/30/19/240973019.db2.gz HCHOLHVWPUCACX-LBPRGKRZSA-N 0 0 344.437 0.265 10 0 ECAERN CC(C)(C)OC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(N)cc2)CCN1 ZINC000021983348 212267073 /nfs/dbraw/zinc/26/70/73/212267073.db2.gz GIJANIDMKAGOLB-ZDUSSCGKSA-N 0 0 341.433 0.573 10 0 ECAERN Cc1cn([C@@H]2C[C@H](O)[C@@H](CO)O2)c(=O)nc1NC(=O)c1ccccc1 ZINC000229810755 242201841 /nfs/dbraw/zinc/20/18/41/242201841.db2.gz VYJDMDIVDHHLGK-MJBXVCDLSA-N 0 0 345.355 0.445 10 0 ECAERN CC(=O)Nc1ccc(S(=O)(=O)NCc2nnc(N)s2)cc1 ZINC000020201348 212111168 /nfs/dbraw/zinc/11/11/68/212111168.db2.gz ZOLWWDSDULPTIE-UHFFFAOYSA-N 0 0 327.391 0.557 10 0 ECAERN COC(=O)[C@H](Cn1ccnc1)[C@@](O)(c1nccn1C)C(F)(F)F ZINC000012558782 284280427 /nfs/dbraw/zinc/28/04/27/284280427.db2.gz IVZLVJVDNFPBEV-JOYOIKCWSA-N 0 0 332.282 0.856 10 0 ECAERN O=C(Nc1ccc2ncccc2c1)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000177629370 284343458 /nfs/dbraw/zinc/34/34/58/284343458.db2.gz PUFHGXVCFAGXRT-CYBMUJFWSA-N 0 0 336.355 0.896 10 0 ECAERN O=C(CCNC(=O)c1ccco1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111076826 220096390 /nfs/dbraw/zinc/09/63/90/220096390.db2.gz ZSAQCKICUQMLJB-CYBMUJFWSA-N 0 0 332.360 0.524 10 0 ECAERN COCCN(C)S(=O)(=O)N1CCC[C@H]1c1c(C)nn(C)c1C ZINC000111341088 220142053 /nfs/dbraw/zinc/14/20/53/220142053.db2.gz DLCZMSWQKDAWKC-ZDUSSCGKSA-N 0 0 330.454 0.997 10 0 ECAERN COCCCS(=O)(=O)N1CCO[C@@H](Cn2nc(C)cc2C)C1 ZINC000111345343 220142655 /nfs/dbraw/zinc/14/26/55/220142655.db2.gz VYAWKHONOQRTTM-CQSZACIVSA-N 0 0 331.438 0.567 10 0 ECAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NC[C@](C)(O)c1ccco1 ZINC000080908754 217339467 /nfs/dbraw/zinc/33/94/67/217339467.db2.gz IZXFDCHAUMAADK-WFASDCNBSA-N 0 0 344.433 0.808 10 0 ECAERN COc1ccc(CNC(=O)N2CCO[C@@H](Cn3cccn3)C2)cn1 ZINC000111809874 220195104 /nfs/dbraw/zinc/19/51/04/220195104.db2.gz YVVXKFUJEXGRRY-CQSZACIVSA-N 0 0 331.376 0.897 10 0 ECAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)NCc3ccnn3C)CCO2)n1 ZINC000111823989 220200082 /nfs/dbraw/zinc/20/00/82/220200082.db2.gz NSSOPRRARUOALZ-HNNXBMFYSA-N 0 0 332.408 0.844 10 0 ECAERN CC(=O)NCCCNC(=O)N1CCN(Cc2cnc(C)s2)CC1 ZINC000111823198 220200174 /nfs/dbraw/zinc/20/01/74/220200174.db2.gz DVTPHYUCUIQLFC-UHFFFAOYSA-N 0 0 339.465 0.805 10 0 ECAERN COCCn1ccc(NC(=O)N2CCO[C@H](Cn3cc(C)cn3)C2)n1 ZINC000150817728 223744533 /nfs/dbraw/zinc/74/45/33/223744533.db2.gz ACRFNWFMGSOPLM-AWEZNQCLSA-N 0 0 348.407 0.967 10 0 ECAERN COC(=O)[C@@H]1CCCN1C[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000265243824 247332832 /nfs/dbraw/zinc/33/28/32/247332832.db2.gz RXJHOWUUGIGLII-FZMZJTMJSA-N 0 0 332.356 0.281 10 0 ECAERN Cc1cc(-n2c(C)cc(C(=O)N3CCOC[C@H]3C(N)=O)c2C)no1 ZINC000091782315 218065015 /nfs/dbraw/zinc/06/50/15/218065015.db2.gz ONSPZJNJFACCHX-ZDUSSCGKSA-N 0 0 332.360 0.717 10 0 ECAERN Cc1nn(CC(F)(F)F)c(C)c1CC(=O)N1CCOC[C@@H]1C(N)=O ZINC000091781276 218065172 /nfs/dbraw/zinc/06/51/72/218065172.db2.gz CLBHWLKDXVKQLO-LLVKDONJSA-N 0 0 348.325 0.317 10 0 ECAERN CC(C)(C)c1ccc(CCNC(=O)CN2CCOC[C@@H]2C(N)=O)cc1 ZINC000092229399 218127526 /nfs/dbraw/zinc/12/75/26/218127526.db2.gz AYKMFLGAPUOXRF-MRXNPFEDSA-N 0 0 347.459 0.829 10 0 ECAERN CN(C(=O)CN1CCOC[C@@H]1C(N)=O)c1nc2ccccc2s1 ZINC000092421312 218140374 /nfs/dbraw/zinc/14/03/74/218140374.db2.gz ZOCCODKNTQCYEL-LLVKDONJSA-N 0 0 334.401 0.445 10 0 ECAERN O=C(c1cscn1)N1C[C@H]2OCC(=O)N(Cc3ccncc3)[C@@H]2C1 ZINC000096081627 284762537 /nfs/dbraw/zinc/76/25/37/284762537.db2.gz HHNHSGOBUVKRBS-ZIAGYGMSSA-N 0 0 344.396 0.790 10 0 ECAERN CNc1cc(N2CCC[C@H]2CNS(=O)(=O)c2cccnc2)ncn1 ZINC000173898114 533052844 /nfs/dbraw/zinc/05/28/44/533052844.db2.gz RFRWXWFNBLVGCQ-LBPRGKRZSA-N 0 0 348.432 0.861 10 0 ECAERN C[C@H](CC(=O)N[C@@H]1CCc2ncnn2C1)NC(=O)c1ccccc1 ZINC000112663095 220367842 /nfs/dbraw/zinc/36/78/42/220367842.db2.gz ZXXBFBBQZYMOND-TZMCWYRMSA-N 0 0 327.388 0.918 10 0 ECAERN O=C(CCNC(=O)N[C@@H]1CCc2ncnn2C1)N1CCCCCC1 ZINC000112747141 220395754 /nfs/dbraw/zinc/39/57/54/220395754.db2.gz QVWFWGYZSNYISB-CYBMUJFWSA-N 0 0 334.424 0.685 10 0 ECAERN C[C@@H](NC(=O)N1CC(NC(=O)C2CC2)C1)c1nnc2ccccn21 ZINC000190080768 533112342 /nfs/dbraw/zinc/11/23/42/533112342.db2.gz LYRTXLVVMMJEJI-SNVBAGLBSA-N 0 0 328.376 0.710 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)CNC(=O)c1ccccc1)CC2 ZINC000114890311 220773706 /nfs/dbraw/zinc/77/37/06/220773706.db2.gz MSDUEOYTPVXIHM-ZDUSSCGKSA-N 0 0 327.388 0.702 10 0 ECAERN Cn1cc([C@H]2CCN(CC(=O)Nc3ccccc3C(N)=O)C2)cn1 ZINC000116312385 220949965 /nfs/dbraw/zinc/94/99/65/220949965.db2.gz PSSSNCCJOWMZIS-LBPRGKRZSA-N 0 0 327.388 0.947 10 0 ECAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)CCN3C(=O)CCC3=O)C2)n1 ZINC000116774930 220988451 /nfs/dbraw/zinc/98/84/51/220988451.db2.gz ZVPHSCMDJZNEIB-CQSZACIVSA-N 0 0 347.419 0.673 10 0 ECAERN Cc1cnn(CCNC(=O)Cn2cc(Br)ccc2=O)c1 ZINC000117810723 221092114 /nfs/dbraw/zinc/09/21/14/221092114.db2.gz BYYAEHNQDCVASH-UHFFFAOYSA-N 0 0 339.193 0.932 10 0 ECAERN COC[C@H](C)S(=O)(=O)N1CCN([C@@H](C)c2nc(C)no2)CC1 ZINC000117921253 221099724 /nfs/dbraw/zinc/09/97/24/221099724.db2.gz LMDDIERTMIVHMT-QWRGUYRKSA-N 0 0 332.426 0.421 10 0 ECAERN Cc1cnn(CCNC(=O)NCC(=O)NCCc2ccccc2)c1 ZINC000118067416 221112006 /nfs/dbraw/zinc/11/20/06/221112006.db2.gz WUYRURCJILMKEC-UHFFFAOYSA-N 0 0 329.404 0.850 10 0 ECAERN CCOc1cc(C)nc(N2CCN(CCS(=O)(=O)CC)CC2)n1 ZINC000118398270 221145687 /nfs/dbraw/zinc/14/56/87/221145687.db2.gz UCOLMTQGZHCRDT-UHFFFAOYSA-N 0 0 342.465 0.740 10 0 ECAERN CNC(=O)[C@H]1CN(C(=O)CCOc2ccccc2)Cc2cncn21 ZINC000247942743 257673319 /nfs/dbraw/zinc/67/33/19/257673319.db2.gz IWJUXUJTAQDRPA-OAHLLOKOSA-N 0 0 328.372 0.982 10 0 ECAERN CS(=O)(=O)N[C@H]1CCO[C@@]2(CCN(C(=O)Cc3ccco3)C2)C1 ZINC000247525108 257681701 /nfs/dbraw/zinc/68/17/01/257681701.db2.gz MVAGSSGTBFSYGO-WFASDCNBSA-N 0 0 342.417 0.521 10 0 ECAERN CCc1nnc(CN2CCC[C@H]2c2nc(C(=O)NC3CC3)no2)[nH]1 ZINC000328637510 258024625 /nfs/dbraw/zinc/02/46/25/258024625.db2.gz ORADKQPZOJQTRI-JTQLQIEISA-N 0 0 331.380 0.979 10 0 ECAERN Cc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N2CCSCC2)o1 ZINC000055245142 292100790 /nfs/dbraw/zinc/10/07/90/292100790.db2.gz HKXWKWQFLMSMIA-AWEZNQCLSA-N 0 0 337.445 0.854 10 0 ECAERN Cc1c(C(=O)NC[C@H](O)CN2CCOCC2)cnn1-c1ccccc1 ZINC000129036629 296660967 /nfs/dbraw/zinc/66/09/67/296660967.db2.gz IZISYDQBSLBBPH-INIZCTEOSA-N 0 0 344.415 0.604 10 0 ECAERN COC(=O)[C@H](NC[C@@H](O)CN1CCCC1=O)c1ccc(F)c(C)c1 ZINC000185780844 296723645 /nfs/dbraw/zinc/72/36/45/296723645.db2.gz GQNRTAWIRNUSTI-CZUORRHYSA-N 0 0 338.379 0.921 10 0 ECAERN CCS(=O)(=O)NCC(=O)N1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000130740193 286671427 /nfs/dbraw/zinc/67/14/27/286671427.db2.gz OAOGCVNHGSANTG-GFCCVEGCSA-N 0 0 328.438 0.640 10 0 ECAERN CCn1cc(C(=O)C(=O)N[C@H]2CCCN(c3cccnn3)C2)cn1 ZINC000135023650 164711174 /nfs/dbraw/zinc/71/11/74/164711174.db2.gz IMZPUILWPZJXAM-ZDUSSCGKSA-N 0 0 328.376 0.661 10 0 ECAERN CC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2ccn(CCC(C)C)n2)C1 ZINC000153590622 164756292 /nfs/dbraw/zinc/75/62/92/164756292.db2.gz HBGJIAYAXWZUFX-CQSZACIVSA-N 0 0 349.435 0.995 10 0 ECAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)[C@@H](C)CS(C)(=O)=O)CC2 ZINC000174996306 164875990 /nfs/dbraw/zinc/87/59/90/164875990.db2.gz GLLGKHKXKUTUCN-QWRGUYRKSA-N 0 0 328.438 0.513 10 0 ECAERN C[C@@H]1C(=O)NCCCN1CC(=O)Nc1cccc(C(=O)N(C)C)c1 ZINC000189336166 165008419 /nfs/dbraw/zinc/00/84/19/165008419.db2.gz JANZIEYNXVHZCF-GFCCVEGCSA-N 0 0 332.404 0.537 10 0 ECAERN Cc1nc(CC(C)C)oc1C(=O)NC[C@H](O)CN1CCOCC1 ZINC000190101248 165018385 /nfs/dbraw/zinc/01/83/85/165018385.db2.gz HGWXPGSNJKLAGR-ZDUSSCGKSA-N 0 0 325.409 0.604 10 0 ECAERN CC(C)CCn1ccc(NC(=O)C(=O)N2CCCNC(=O)[C@H]2C)n1 ZINC000190665244 165024700 /nfs/dbraw/zinc/02/47/00/165024700.db2.gz XZMLZDYNOURPQZ-GFCCVEGCSA-N 0 0 335.408 0.605 10 0 ECAERN CC(=O)NC1CN(C(=O)[C@@H]2CCN(c3ccc(F)c(F)c3)C2=O)C1 ZINC000191496083 165032558 /nfs/dbraw/zinc/03/25/58/165032558.db2.gz SHDVIGXNCDBPKP-LBPRGKRZSA-N 0 0 337.326 0.665 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)C(=O)Nc1nc(C)c(C)s1)CC2 ZINC000193104988 165053077 /nfs/dbraw/zinc/05/30/77/165053077.db2.gz DCKPKGQBXIEQEK-JTQLQIEISA-N 0 0 348.432 0.984 10 0 ECAERN Cc1cccc(C(=O)N2CCCN(C(=O)[C@@H]3CNC(=O)C3)CC2)c1 ZINC000194865603 165071401 /nfs/dbraw/zinc/07/14/01/165071401.db2.gz PTTXNSCJPLSGIR-HNNXBMFYSA-N 0 0 329.400 0.806 10 0 ECAERN CCN(CC)C(=O)CN1CCCN(Cc2nnnn2C(C)C)CC1 ZINC000195067170 165074168 /nfs/dbraw/zinc/07/41/68/165074168.db2.gz CFUUOJSDCQUIGM-UHFFFAOYSA-N 0 0 337.472 0.630 10 0 ECAERN CCC[C@H](C)NC(=O)[C@H](C)S(=O)(=O)Cc1nnnn1C(C)C ZINC000195429300 165081845 /nfs/dbraw/zinc/08/18/45/165081845.db2.gz AFNNPLKKTUWEDN-QWRGUYRKSA-N 0 0 331.442 0.862 10 0 ECAERN C[C@H](c1ccccc1)[C@](C)(O)C(=O)NC[C@@H](O)CN1CCOCC1 ZINC000245647540 165112344 /nfs/dbraw/zinc/11/23/44/165112344.db2.gz UJBVDGHFJYXWMA-KYJSFNMBSA-N 0 0 336.432 0.350 10 0 ECAERN NC(=O)[C@@H]1COCCN1C[C@@H](O)COCc1ccccc1Cl ZINC000246081664 165123258 /nfs/dbraw/zinc/12/32/58/165123258.db2.gz HXXNIOLKYHUPOD-OCCSQVGLSA-N 0 0 328.796 0.404 10 0 ECAERN NC(=O)[C@@H]1COCCN1C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000246134871 165124534 /nfs/dbraw/zinc/12/45/34/165124534.db2.gz KZVJCPMIMRSZQT-JQWIXIFHSA-N 0 0 349.214 0.919 10 0 ECAERN C[C@@H]1CN(Cc2nnnn2-c2ccccc2)C[C@H]1N1CCOCC1 ZINC000246291300 165129122 /nfs/dbraw/zinc/12/91/22/165129122.db2.gz AZFZVSBYYRORKQ-GDBMZVCRSA-N 0 0 328.420 0.815 10 0 ECAERN OC[C@@H]1CCCN1c1cc(N2CC[C@@H](N3CCOCC3)C2)ncn1 ZINC000247029221 165151155 /nfs/dbraw/zinc/15/11/55/165151155.db2.gz PQYLDYZOGDUMAH-CABCVRRESA-N 0 0 333.436 0.349 10 0 ECAERN CCn1cc(CN2CCCN(C(=O)[C@H]3C[C@H]3C(=O)OC)CC2)cn1 ZINC000247115966 165151834 /nfs/dbraw/zinc/15/18/34/165151834.db2.gz JEQLANCIJCSUQK-LSDHHAIUSA-N 0 0 334.420 0.746 10 0 ECAERN CCOCCN1CCN(CC(=O)N2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC000247126309 165152017 /nfs/dbraw/zinc/15/20/17/165152017.db2.gz JYYPPVVWBNZOGS-OAGGEKHMSA-N 0 0 327.469 0.665 10 0 ECAERN CCOCCN1CCN([C@H](C)C(=O)NC[C@@H]2CCCO2)C[C@H]1C ZINC000247215914 165155382 /nfs/dbraw/zinc/15/53/82/165155382.db2.gz QEGASQIIASLAMK-OAGGEKHMSA-N 0 0 327.469 0.713 10 0 ECAERN C[C@H](OC[C@@H](O)CN1CCOC[C@H]1C(N)=O)c1ccc(Cl)cc1 ZINC000247263313 165157443 /nfs/dbraw/zinc/15/74/43/165157443.db2.gz XSZATHOFIHXJBE-CQDKDKBSSA-N 0 0 342.823 0.965 10 0 ECAERN C[C@@H]1CN2CCC[C@H]2CN1C(=O)CS[C@@H]1CCS(=O)(=O)C1 ZINC000247411202 165161371 /nfs/dbraw/zinc/16/13/71/165161371.db2.gz QCMSVMBJYZBQND-FRRDWIJNSA-N 0 0 332.491 0.602 10 0 ECAERN O=C(NCc1ccco1)[C@H]1CCCN1C[C@@H](O)CN1CCCC1=O ZINC000247478103 165163779 /nfs/dbraw/zinc/16/37/79/165163779.db2.gz SJZONDNIKQZHFF-UKRRQHHQSA-N 0 0 335.404 0.344 10 0 ECAERN CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc(=O)n(C)c1 ZINC000249211250 165196146 /nfs/dbraw/zinc/19/61/46/165196146.db2.gz SNUZOXVIYSXSIY-KGLIPLIRSA-N 0 0 332.404 0.409 10 0 ECAERN CN(C)C(=O)Cn1cc(C(=O)N2CCCc3c(N)cccc32)nn1 ZINC000262039327 165280464 /nfs/dbraw/zinc/28/04/64/165280464.db2.gz RKARAGAJQCJROE-UHFFFAOYSA-N 0 0 328.376 0.542 10 0 ECAERN CC(C)COc1cncc(N2CCO[C@H](C[N@H+](C)CC(=O)[O-])C2)n1 ZINC000262098240 165290411 /nfs/dbraw/zinc/29/04/11/165290411.db2.gz IGDUOBLZIYCAAS-CYBMUJFWSA-N 0 0 338.408 0.733 10 0 ECAERN C[C@H]1OCCN[C@@H]1C(=O)N1CCN(CC(F)(F)C(F)F)CC1 ZINC000262200761 165306258 /nfs/dbraw/zinc/30/62/58/165306258.db2.gz IDVOXISFBTVCDG-ZJUUUORDSA-N 0 0 327.322 0.408 10 0 ECAERN CCC[C@@H]([NH3+])C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000262409896 165345922 /nfs/dbraw/zinc/34/59/22/165345922.db2.gz CZDGSALPMZCXFY-CQSZACIVSA-N 0 0 341.433 0.773 10 0 ECAERN CN[C@H](C(=O)NCc1cccnc1-n1ccnc1)c1cnn(C)c1 ZINC000262441514 165350183 /nfs/dbraw/zinc/35/01/83/165350183.db2.gz UXQJLAVUFFXBRB-AWEZNQCLSA-N 0 0 325.376 0.578 10 0 ECAERN CCOC(=O)c1cc(NC(=O)[C@H](N)COC)cc(S(C)(=O)=O)c1 ZINC000262618000 165368391 /nfs/dbraw/zinc/36/83/91/165368391.db2.gz ZGVAAEWKPGZHCT-GFCCVEGCSA-N 0 0 344.389 0.179 10 0 ECAERN O=C([O-])C[N@H+](CC1CC1)C1CC(NC(=O)COc2cccnc2)C1 ZINC000262684046 165373986 /nfs/dbraw/zinc/37/39/86/165373986.db2.gz BNNRHSQWCIFWNR-UHFFFAOYSA-N 0 0 333.388 0.904 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)CCS(=O)(=O)CC(C)C)C1 ZINC000262700858 165375956 /nfs/dbraw/zinc/37/59/56/165375956.db2.gz HXDSCARGCCCNCG-UHFFFAOYSA-N 0 0 348.465 0.501 10 0 ECAERN CCN(CC)C(=O)CCC(=O)NC1CC([N@H+](CC)CC(=O)[O-])C1 ZINC000262708836 165377006 /nfs/dbraw/zinc/37/70/06/165377006.db2.gz KQUPSWOOGIMXRP-UHFFFAOYSA-N 0 0 327.425 0.689 10 0 ECAERN O=C(NCCS(=O)(=O)Cc1ccccc1)[C@@H]1CC(F)(F)CN1 ZINC000262898855 165398751 /nfs/dbraw/zinc/39/87/51/165398751.db2.gz DKAVGBKJKVIRQW-LBPRGKRZSA-N 0 0 332.372 0.715 10 0 ECAERN Cn1cc([C@H]2CCCN2C(=O)Cn2nc3ccccn3c2=O)cn1 ZINC000171350514 227032710 /nfs/dbraw/zinc/03/27/10/227032710.db2.gz YWZPPKXMJLBWKB-CYBMUJFWSA-N 0 0 326.360 0.593 10 0 ECAERN CCS(=O)(=O)CC(=O)N(C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000122315293 222059196 /nfs/dbraw/zinc/05/91/96/222059196.db2.gz HMBYPCJUHNZRJS-GFCCVEGCSA-N 0 0 326.422 0.339 10 0 ECAERN C[C@H](C(=O)N(C)[C@@H]1CCCN(c2cccnn2)C1)S(C)(=O)=O ZINC000122644820 222130681 /nfs/dbraw/zinc/13/06/81/222130681.db2.gz YUTYUKKNZPRXDB-VXGBXAGGSA-N 0 0 326.422 0.337 10 0 ECAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000124126345 222378993 /nfs/dbraw/zinc/37/89/93/222378993.db2.gz XWPZUUMLNCELAG-ZYHUDNBSSA-N 0 0 343.391 0.568 10 0 ECAERN O=C(CN1CCC[C@@H](n2cncn2)C1)NC(=O)NCc1ccco1 ZINC000171705153 227233582 /nfs/dbraw/zinc/23/35/82/227233582.db2.gz BKKRPNRULQKPFA-GFCCVEGCSA-N 0 0 332.364 0.534 10 0 ECAERN CNc1cc(N2CCC[C@@H]2CNC(=O)c2nccnc2N)ncn1 ZINC000173418187 263148779 /nfs/dbraw/zinc/14/87/79/263148779.db2.gz KCRNHFCPKVCIPN-SNVBAGLBSA-N 0 0 328.380 0.289 10 0 ECAERN Cc1nc(C[C@H]2CCCN(C(=O)C(=O)Nc3cnn(C)c3C)C2)no1 ZINC000176661472 263153419 /nfs/dbraw/zinc/15/34/19/263153419.db2.gz GWIKASMUBQBVRS-GFCCVEGCSA-N 0 0 346.391 0.840 10 0 ECAERN O=C(N[C@H](CO)c1cccc(Br)c1)[C@H]1CNC(=O)C1 ZINC000181114225 263156415 /nfs/dbraw/zinc/15/64/15/263156415.db2.gz OFJFZDGNEYSONE-MWLCHTKSSA-N 0 0 327.178 0.735 10 0 ECAERN Cc1ccccc1C[C@H](CO)NC(=O)NC[C@H](C)N1CCOCC1 ZINC000191939521 263165769 /nfs/dbraw/zinc/16/57/69/263165769.db2.gz IQUHFGXSYUKINT-DOTOQJQBSA-N 0 0 335.448 0.918 10 0 ECAERN CCC(CC)N1C[C@@H](C(=O)NC[C@H](C)N2CCOCC2)CC1=O ZINC000192491316 263165796 /nfs/dbraw/zinc/16/57/96/263165796.db2.gz ATJRDQSJGIOTFL-KBPBESRZSA-N 0 0 325.453 0.860 10 0 ECAERN CCC(=O)N1CSC[C@@H]1C(=O)NC1CC([N@H+](CC)CC(=O)[O-])C1 ZINC000262697637 263177531 /nfs/dbraw/zinc/17/75/31/263177531.db2.gz GVZYOMSCLFWDAV-HTAVTVPLSA-N 0 0 343.449 0.352 10 0 ECAERN C[C@@H]1NC(=O)CC[C@H]1NS(=O)(=O)c1cnn(Cc2ccccc2)c1 ZINC000282601044 264052908 /nfs/dbraw/zinc/05/29/08/264052908.db2.gz QSGOOHDJFNGBFF-SWLSCSKDSA-N 0 0 348.428 0.877 10 0 ECAERN CO[C@H]1C[C@@H](C(N)=O)N(C(=O)c2ccc(-n3nccc3C)cc2)C1 ZINC000284622387 264235739 /nfs/dbraw/zinc/23/57/39/264235739.db2.gz PFZBJCHPXJYHDG-GJZGRUSLSA-N 0 0 328.372 0.896 10 0 ECAERN CC(C)CC(=O)NCCC(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000173820083 277344353 /nfs/dbraw/zinc/34/43/53/277344353.db2.gz BAXHHPXEEUWBIC-HUUCEWRRSA-N 0 0 325.453 0.718 10 0 ECAERN CC(C)(C)N(Cc1ccccc1)C(=O)CN1CCOC[C@H]1C(N)=O ZINC000092230488 278339942 /nfs/dbraw/zinc/33/99/42/278339942.db2.gz HFMCDXVEFUJAQB-HNNXBMFYSA-N 0 0 333.432 1.000 10 0 ECAERN CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)N[C@H]1CCCn2ncnc21 ZINC000151879798 278495709 /nfs/dbraw/zinc/49/57/09/278495709.db2.gz JKVFRVUDURRLNA-UWVGGRQHSA-N 0 0 329.426 0.193 10 0 ECAERN CC(C)CCNC(=O)N1CCS(=O)(=O)C[C@@H]1c1cnn(C)c1 ZINC000189955798 278765697 /nfs/dbraw/zinc/76/56/97/278765697.db2.gz QTOVSYHCBWGNPB-CYBMUJFWSA-N 0 0 328.438 0.947 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)N2CCc3cc[nH]c(=O)c3C2)C1 ZINC000263513210 279058560 /nfs/dbraw/zinc/05/85/60/279058560.db2.gz ZMIDCVGEAUCSDQ-UHFFFAOYSA-N 0 0 348.403 0.792 10 0 ECAERN CCN(C[C@H](O)C(F)(F)F)C(=O)NC[C@@H](C)N1CCOCC1 ZINC000190201742 437620275 /nfs/dbraw/zinc/62/02/75/437620275.db2.gz XKDGVTZECXARBA-MNOVXSKESA-N 0 0 327.347 0.662 10 0 ECAERN Cn1cc([C@@H]2CCCN2Cc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)cn1 ZINC000173316568 294279267 /nfs/dbraw/zinc/27/92/67/294279267.db2.gz YODTXPCMLDPFMF-NSHDSACASA-N 0 0 343.391 0.031 10 0 ECAERN CC(C)[C@@H]1N(C(=O)N[C@H]2COC[C@H]2n2ccnn2)C[C@]12CCCO2 ZINC000334101670 297163888 /nfs/dbraw/zinc/16/38/88/297163888.db2.gz WOLIIMHSWGHRGI-KNCOVGOOSA-N 0 0 335.408 0.817 10 0 ECAERN COCc1ccccc1CS(=O)(=O)N[C@@H]1CCC(=O)N[C@H]1C ZINC000344830638 298073093 /nfs/dbraw/zinc/07/30/93/298073093.db2.gz VBTAIXKCYVQPGP-SMDDNHRTSA-N 0 0 326.418 0.920 10 0 ECAERN CC[C@@H]1CN(C(=O)[C@H]2CSCN2C(C)=O)C[C@@H]1N1CCOCC1 ZINC000363471455 300267841 /nfs/dbraw/zinc/26/78/41/300267841.db2.gz NSSXFHZEUNZFQO-QLFBSQMISA-N 0 0 341.477 0.477 10 0 ECAERN CO[C@H]1C[C@H](C(=O)N2CCO[C@@H](C(C)(C)C)C2)N(S(C)(=O)=O)C1 ZINC000366171268 300524472 /nfs/dbraw/zinc/52/44/72/300524472.db2.gz NCJJODFRKAIYLM-YNEHKIRRSA-N 0 0 348.465 0.309 10 0 ECAERN Cc1ccc(C2(C(=O)N3CCC[C@@](O)(C(N)=O)C3)CCOCC2)cc1 ZINC000367009859 300586663 /nfs/dbraw/zinc/58/66/63/300586663.db2.gz OKXDRVAEYUQADR-IBGZPJMESA-N 0 0 346.427 0.882 10 0 ECAERN C[C@@H](Oc1ccc2c(c1)OCO2)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000015332052 436078890 /nfs/dbraw/zinc/07/88/90/436078890.db2.gz OALASPPSBQGVAO-ZJUUUORDSA-N 0 0 327.358 0.486 10 0 ECAERN CN1CCO[C@H](CNC(=O)CCCN2C(=O)c3ccccc3C2=O)C1 ZINC000074773403 436139638 /nfs/dbraw/zinc/13/96/38/436139638.db2.gz UWIKGQMYKHLKHK-CYBMUJFWSA-N 0 0 345.399 0.510 10 0 ECAERN C[C@@H](NC(=O)N1CCO[C@H](C(N)=O)C1)c1cccc(-n2ccnc2)c1 ZINC000074875989 436141919 /nfs/dbraw/zinc/14/19/19/436141919.db2.gz ZPHMTWVTSYCAGD-DOMZBBRYSA-N 0 0 343.387 0.829 10 0 ECAERN CC(C)[C@@H]1OCC[C@H]1C(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000372976307 301039749 /nfs/dbraw/zinc/03/97/49/301039749.db2.gz GFISKDQWCTVTDC-KFWWJZLASA-N 0 0 344.477 0.379 10 0 ECAERN Cn1cc([C@@]2(C)CN(S(=O)(=O)C[C@H]3CCOC3)CCO2)cn1 ZINC000378159995 301416022 /nfs/dbraw/zinc/41/60/22/301416022.db2.gz LGCLCEVNRKOUFM-GXTWGEPZSA-N 0 0 329.422 0.334 10 0 ECAERN C[C@H](CNC(=O)C(=O)Nc1ccc2[nH]ccc2c1)N1CCOCC1 ZINC000076238695 436197150 /nfs/dbraw/zinc/19/71/50/436197150.db2.gz BHPSTOMUGOCUIC-GFCCVEGCSA-N 0 0 330.388 0.943 10 0 ECAERN C[C@H](NC(=O)Cn1ccccc1=O)c1ccc(S(N)(=O)=O)cc1 ZINC000044517103 436342540 /nfs/dbraw/zinc/34/25/40/436342540.db2.gz TXXRLZZVLUDURN-NSHDSACASA-N 0 0 335.385 0.373 10 0 ECAERN O=C1NC(=O)[C@]2(CCN(S(=O)(=O)c3ccccc3Cl)C2)N1 ZINC000084796527 436386289 /nfs/dbraw/zinc/38/62/89/436386289.db2.gz DTTJFQBUEJBVQT-GFCCVEGCSA-N 0 0 329.765 0.313 10 0 ECAERN Cc1ccc([C@@H](C)NC(=O)CNS(=O)(=O)c2cnn(C)c2)o1 ZINC000047073096 436410702 /nfs/dbraw/zinc/41/07/02/436410702.db2.gz FRICEVSUBVWSAV-SNVBAGLBSA-N 0 0 326.378 0.477 10 0 ECAERN CC[C@H](C)NC(=O)CN1CCN(C(=O)N[C@H](C)[C@@H]2CCCO2)CC1 ZINC000046971251 436407079 /nfs/dbraw/zinc/40/70/79/436407079.db2.gz WICMHOVSPNELFY-ZNMIVQPWSA-N 0 0 340.468 0.796 10 0 ECAERN CCc1nnc(CS(=O)(=O)[C@@H](C)C(=O)NC(CC)CC)n1C ZINC000091049656 436439997 /nfs/dbraw/zinc/43/99/97/436439997.db2.gz LRKYBVPEHSGWSG-JTQLQIEISA-N 0 0 330.454 0.986 10 0 ECAERN C[C@H](Oc1ccc(F)cc1Cl)C(=O)N1CCOC[C@H]1C(N)=O ZINC000091780636 436459979 /nfs/dbraw/zinc/45/99/79/436459979.db2.gz FJZIVYLZWKVKEA-KWQFWETISA-N 0 0 330.743 0.959 10 0 ECAERN NC(=O)[C@H]1COCCN1C(=O)c1ccc(-c2nc(C3CC3)no2)cc1 ZINC000091780318 436460050 /nfs/dbraw/zinc/46/00/50/436460050.db2.gz YWLJIQCSZWKHSC-CYBMUJFWSA-N 0 0 342.355 0.940 10 0 ECAERN NC(=O)[C@H]1COCCN1C(=O)c1cnn(Cc2ccccc2Cl)c1 ZINC000091779232 436460556 /nfs/dbraw/zinc/46/05/56/436460556.db2.gz LPIWZVFUQPDTHL-CQSZACIVSA-N 0 0 348.790 0.911 10 0 ECAERN NC(=O)[C@H]1COCCN1CCC(=O)NCc1ccccc1Cl ZINC000092231104 436468749 /nfs/dbraw/zinc/46/87/49/436468749.db2.gz RQKKCZISVYUMJR-CYBMUJFWSA-N 0 0 325.796 0.532 10 0 ECAERN CN1CCN(C(=O)CN2CCCC[C@H]2c2nnc3n2CCCC3)CC1 ZINC000093169935 436480981 /nfs/dbraw/zinc/48/09/81/436480981.db2.gz BULFWMGIBVWFGQ-HNNXBMFYSA-N 0 0 346.479 0.915 10 0 ECAERN O=C(CCc1cc(F)ccc1F)NC[C@@H](O)CN1CCOCC1 ZINC000097066680 436538271 /nfs/dbraw/zinc/53/82/71/436538271.db2.gz IYLGJAVSKLHZAI-CQSZACIVSA-N 0 0 328.359 0.707 10 0 ECAERN CCC[C@@H](C)NC(=O)[C@H](C)N1CCN(c2ccc3nncn3n2)CC1 ZINC000105817085 436579308 /nfs/dbraw/zinc/57/93/08/436579308.db2.gz OTKIDUSLTMBGGK-KGLIPLIRSA-N 0 0 345.451 0.940 10 0 ECAERN CN(c1cccnn1)C1CCN(C(=O)CN2CCCCC2=O)CC1 ZINC000105816301 436579721 /nfs/dbraw/zinc/57/97/21/436579721.db2.gz MQDSAQWWSTZIFD-UHFFFAOYSA-N 0 0 331.420 0.916 10 0 ECAERN Cc1cc(CN2CCN(C(=O)NC[C@@H]3CN(C)CCO3)CC2)on1 ZINC000104799279 436562286 /nfs/dbraw/zinc/56/22/86/436562286.db2.gz HSYNHUOUBZVHCH-OAHLLOKOSA-N 0 0 337.424 0.141 10 0 ECAERN CCOC(=O)[C@@H](C)N1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000105894432 436584784 /nfs/dbraw/zinc/58/47/84/436584784.db2.gz SROLGIHTGXHUPR-HZPDHXFCSA-N 0 0 336.432 0.996 10 0 ECAERN CCc1nccn1[C@@H]1CCCN(CC(=O)NCC(=O)N2CCCC2)C1 ZINC000105897262 436587049 /nfs/dbraw/zinc/58/70/49/436587049.db2.gz FHVZUFOAYFJPAC-OAHLLOKOSA-N 0 0 347.463 0.821 10 0 ECAERN O=C(CN1CCC[C@@H](n2cncn2)C1)NCCCN1CCCC1=O ZINC000105898484 436587083 /nfs/dbraw/zinc/58/70/83/436587083.db2.gz OJPIGLOQRPYLNA-CQSZACIVSA-N 0 0 334.424 0.044 10 0 ECAERN C[C@H](C(=O)N(C)C)N1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000105921976 436587328 /nfs/dbraw/zinc/58/73/28/436587328.db2.gz PERYKYVAEFXVLQ-HZPDHXFCSA-N 0 0 335.448 0.521 10 0 ECAERN Cc1nnc(CN2CCN(CC(=O)N[C@H]3CCC[C@H](C)C3)CC2)n1C ZINC000105928129 436588490 /nfs/dbraw/zinc/58/84/90/436588490.db2.gz VNKNHKAPFVMOSW-HOCLYGCPSA-N 0 0 348.495 0.936 10 0 ECAERN Cn1cccc1C(=O)CN1CCN(c2ccc3nncn3n2)CC1 ZINC000106092700 436590437 /nfs/dbraw/zinc/59/04/37/436590437.db2.gz YRUKKQOUTQCBAS-UHFFFAOYSA-N 0 0 325.376 0.468 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)CCNC(=O)c2cccs2)CC1 ZINC000106392706 436594045 /nfs/dbraw/zinc/59/40/45/436594045.db2.gz VCPZBLFFIFMLJM-ZDUSSCGKSA-N 0 0 339.461 0.783 10 0 ECAERN C[C@@H](CNC(=O)NCC(=O)N(C)Cc1ccccc1)N1CCOCC1 ZINC000056927397 436599305 /nfs/dbraw/zinc/59/93/05/436599305.db2.gz CVKDEIVQWKHUSF-HNNXBMFYSA-N 0 0 348.447 0.665 10 0 ECAERN CCOc1ccnc(N2CCN(C(=O)Nc3ccn(C)n3)CC2)n1 ZINC000113560048 436638234 /nfs/dbraw/zinc/63/82/34/436638234.db2.gz UVTJCMDJVHHAJY-UHFFFAOYSA-N 0 0 331.380 0.963 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)[C@H](C)NC(=O)c1ccoc1)CC2 ZINC000114867056 436644883 /nfs/dbraw/zinc/64/48/83/436644883.db2.gz PAVBMHQKMMKRHE-CMPLNLGQSA-N 0 0 331.376 0.683 10 0 ECAERN Cc1nc(-c2cnn(C)c2)sc1C(=O)NC[C@@H]1CN(C)CCO1 ZINC000115351325 436646347 /nfs/dbraw/zinc/64/63/47/436646347.db2.gz LOWNAKCDMOSGGP-GFCCVEGCSA-N 0 0 335.433 0.912 10 0 ECAERN CCS(=O)(=O)c1ccccc1C(=O)N1CCO[C@H](CN(C)C)C1 ZINC000116797699 436651740 /nfs/dbraw/zinc/65/17/40/436651740.db2.gz VXMWHOWQZAZKFU-CYBMUJFWSA-N 0 0 340.445 0.883 10 0 ECAERN COCCNC(=O)N1CC[C@@]2(C1)c1cc(OC)ccc1N(C)C2=O ZINC000065249510 436652156 /nfs/dbraw/zinc/65/21/56/436652156.db2.gz MTJZXLDIUWTXHQ-QGZVFWFLSA-N 0 0 333.388 0.971 10 0 ECAERN Cc1noc(CCNC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)n1 ZINC000064315431 436648621 /nfs/dbraw/zinc/64/86/21/436648621.db2.gz MBJLJUUMVAMWGD-VIFPVBQESA-N 0 0 328.328 0.721 10 0 ECAERN COc1c(CN2CCN(c3ccc4nncn4n3)CC2)c(C)nn1C ZINC000120493872 436690133 /nfs/dbraw/zinc/69/01/33/436690133.db2.gz SDZJZXWKKXDKMU-UHFFFAOYSA-N 0 0 342.407 0.497 10 0 ECAERN CCCN(C)S(=O)(=O)N1CCCN(Cc2cnn(CC)c2)CC1 ZINC000120572484 436693057 /nfs/dbraw/zinc/69/30/57/436693057.db2.gz KROGIIGJOGIUOX-UHFFFAOYSA-N 0 0 343.497 0.997 10 0 ECAERN O=C(Nc1cncc(Br)c1)C(=O)N1CCC[C@H]1CO ZINC000121017577 436704070 /nfs/dbraw/zinc/70/40/70/436704070.db2.gz UTKXKAJHIILVCI-JTQLQIEISA-N 0 0 328.166 0.766 10 0 ECAERN COCC(=O)NC1CN(C(=O)NCc2ccc3ncccc3c2)C1 ZINC000194586059 436667326 /nfs/dbraw/zinc/66/73/26/436667326.db2.gz ULLZTSUBLOEJTB-UHFFFAOYSA-N 0 0 328.372 0.891 10 0 ECAERN C[C@H](NC(=O)c1ccc2nncn2c1)c1ccc(S(N)(=O)=O)cc1 ZINC000120286710 436683677 /nfs/dbraw/zinc/68/36/77/436683677.db2.gz PTMMHGZWXZEKMP-JTQLQIEISA-N 0 0 345.384 0.868 10 0 ECAERN CCC[C@@H](C(=O)NC[C@@H](O)CS(=O)(=O)c1cccs1)N(C)C ZINC000120394012 436685979 /nfs/dbraw/zinc/68/59/79/436685979.db2.gz UOWAVZRJWHEYNQ-NEPJUHHUSA-N 0 0 348.490 0.729 10 0 ECAERN CN(C(=O)[C@@H]1CCN(C)C(=O)C1)[C@H]1CCCN(c2cccnn2)C1 ZINC000122144084 436732362 /nfs/dbraw/zinc/73/23/62/436732362.db2.gz WXJIDFYTMRXKJV-KGLIPLIRSA-N 0 0 331.420 0.772 10 0 ECAERN CC(C)(C)S(=O)(=O)CC(=O)N1CCC[C@@H](Cn2cncn2)C1 ZINC000153421085 436757211 /nfs/dbraw/zinc/75/72/11/436757211.db2.gz IJNJLJIAPPQCFD-GFCCVEGCSA-N 0 0 328.438 0.730 10 0 ECAERN CCc1nnc(Cn2nnc3c(cnn3-c3ccccc3)c2=O)n1C ZINC000156289270 436812803 /nfs/dbraw/zinc/81/28/03/436812803.db2.gz VYYKTTYTZQSLLF-UHFFFAOYSA-N 0 0 336.359 0.716 10 0 ECAERN C[C@@H]1CN(C(=O)c2ccncc2Br)C[C@H](C(N)=O)O1 ZINC000128529537 436816967 /nfs/dbraw/zinc/81/69/67/436816967.db2.gz UPIIJKDSLMRFGP-GMSGAONNSA-N 0 0 328.166 0.559 10 0 ECAERN Cc1cc(N2CCN([C@H](C)C(N)=O)CC2)nc(-c2cccnc2)n1 ZINC000128695123 436819974 /nfs/dbraw/zinc/81/99/74/436819974.db2.gz KJSKTHVLYBYIAV-CYBMUJFWSA-N 0 0 326.404 0.843 10 0 ECAERN COC(=O)N[C@@H](C(=O)N[C@H]1CCCN(c2cnn(C)c2)C1)C(C)C ZINC000154186697 436772085 /nfs/dbraw/zinc/77/20/85/436772085.db2.gz OTZGHBDEUCASIB-GXTWGEPZSA-N 0 0 337.424 0.886 10 0 ECAERN CCOCCN1CCN([C@@H]2CCCN(c3cnn(C)c3)C2=O)C[C@H]1C ZINC000246754675 436785908 /nfs/dbraw/zinc/78/59/08/436785908.db2.gz NLZUBXVIPWNBCY-NVXWUHKLSA-N 0 0 349.479 0.958 10 0 ECAERN Cc1ccc(F)c(NC(=O)C(=O)N2CCN(C[C@H](C)O)[C@@H](C)C2)c1 ZINC000247008568 436788739 /nfs/dbraw/zinc/78/87/39/436788739.db2.gz LDAQQMTXPWPNGF-STQMWFEESA-N 0 0 337.395 0.986 10 0 ECAERN CCn1cc(C(=O)C(=O)N[C@H]2CCc3nc(C(C)C)nn3C2)cn1 ZINC000126728889 436792318 /nfs/dbraw/zinc/79/23/18/436792318.db2.gz ZUWRHVZWXGFHAV-LBPRGKRZSA-N 0 0 330.392 0.932 10 0 ECAERN COC[C@@H]1CN(c2ccncn2)C[C@H]1C(=O)NCCCn1cccn1 ZINC000253413743 436843105 /nfs/dbraw/zinc/84/31/05/436843105.db2.gz VORHGABECOPOPF-LSDHHAIUSA-N 0 0 344.419 0.578 10 0 ECAERN O=C1NCCc2ccc(S(=O)(=O)N[C@H](CO)c3ccccc3)cc21 ZINC000158456441 436845482 /nfs/dbraw/zinc/84/54/82/436845482.db2.gz GEOVEFZBQKJFTJ-MRXNPFEDSA-N 0 0 346.408 0.984 10 0 ECAERN O=C(Nc1cc(-n2cnnn2)ccc1F)N[C@H]1CCc2ncnn2C1 ZINC000131822699 436857612 /nfs/dbraw/zinc/85/76/12/436857612.db2.gz UMERVFISQQNHRR-VIFPVBQESA-N 0 0 343.326 0.529 10 0 ECAERN COc1ccc(CCC(=O)NC[C@H](O)CN2CCOCC2)cc1F ZINC000129038508 436823008 /nfs/dbraw/zinc/82/30/08/436823008.db2.gz WBUQGRMWTSXGAY-AWEZNQCLSA-N 0 0 340.395 0.576 10 0 ECAERN CCCNC(=O)CCNC(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000157322965 436826625 /nfs/dbraw/zinc/82/66/25/436826625.db2.gz CBUFRFZSGNRXHZ-GFCCVEGCSA-N 0 0 336.440 0.932 10 0 ECAERN CNC(=O)C(C)(C)CNC(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000129463945 436826827 /nfs/dbraw/zinc/82/68/27/436826827.db2.gz ZVYGHCTZCFIQHC-LLVKDONJSA-N 0 0 336.440 0.788 10 0 ECAERN Cc1cc(C(=O)NC[C@H](C)N2CCOCC2)c2c(=O)[nH]n(C)c2n1 ZINC000129835194 436828880 /nfs/dbraw/zinc/82/88/80/436828880.db2.gz IOLWMUMKHKEWDL-NSHDSACASA-N 0 0 333.392 0.021 10 0 ECAERN CCOCC[N@@H+]1CCN(C(=O)N[C@@H]2CCC(=O)N(C)C2)C[C@H]1CC ZINC000162877836 436914029 /nfs/dbraw/zinc/91/40/29/436914029.db2.gz MUOZDLJRULWLIO-HUUCEWRRSA-N 0 0 340.468 0.750 10 0 ECAERN CC(=O)N(C)CC(=O)N1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000135509788 436918055 /nfs/dbraw/zinc/91/80/55/436918055.db2.gz GCBYAQIOJINOIE-UHFFFAOYSA-N 0 0 335.408 0.460 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)N(C)CCS(=O)(=O)CC)CC2 ZINC000133524279 436881700 /nfs/dbraw/zinc/88/17/00/436881700.db2.gz QAIWJVGXHDHXAU-NSHDSACASA-N 0 0 343.453 0.231 10 0 ECAERN Cc1cnn(Cc2cc(C(=O)N[C@H]3CCc4ncnn4C3)no2)c1 ZINC000133933358 436887746 /nfs/dbraw/zinc/88/77/46/436887746.db2.gz NAPOJDSCHHFDIY-NSHDSACASA-N 0 0 327.348 0.564 10 0 ECAERN Cc1cc(O)cc(=O)n1CC(=O)N1CC[C@H](Oc2cccnc2)C1 ZINC000161521263 436891344 /nfs/dbraw/zinc/89/13/44/436891344.db2.gz GMECXMVOQVILHF-HNNXBMFYSA-N 0 0 329.356 0.937 10 0 ECAERN CCC(=O)N1CC[C@H](NC(=O)N2CCO[C@@H](Cn3cc(C)cn3)C2)C1 ZINC000135158713 436910039 /nfs/dbraw/zinc/91/00/39/436910039.db2.gz VGNIBJXOTUBONZ-LSDHHAIUSA-N 0 0 349.435 0.613 10 0 ECAERN CNc1nc(C)cc(C(=O)NC2CC([N@@H+](CC(=O)[O-])CC3CC3)C2)n1 ZINC000263418405 436964756 /nfs/dbraw/zinc/96/47/56/436964756.db2.gz KNUNJHLQXAKEHW-UHFFFAOYSA-N 0 0 347.419 0.884 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)NC[C@H]2CCCC[C@@H]2O)C1 ZINC000263505636 436970146 /nfs/dbraw/zinc/97/01/46/436970146.db2.gz WZOPQIUYHHHFAD-RYSNWHEDSA-N 0 0 327.425 0.774 10 0 ECAERN C[C@H](CNC(=O)C[C@H](C)NC(=O)C1CCCC1)N1CCOCC1 ZINC000171373929 436977282 /nfs/dbraw/zinc/97/72/82/436977282.db2.gz BZZFPZFNYMUBAD-UONOGXRCSA-N 0 0 325.453 0.908 10 0 ECAERN CN(C(=O)[C@@H]1CCCN(C(N)=O)C1)[C@H]1CCCN(c2cccnn2)C1 ZINC000136371083 436931525 /nfs/dbraw/zinc/93/15/25/436931525.db2.gz PYKRHCITWCIFPI-KGLIPLIRSA-N 0 0 346.435 0.695 10 0 ECAERN O=C(c1ccc2n[nH]nc2c1)N1CCN(c2ccc3nncn3n2)CC1 ZINC000136430655 436933539 /nfs/dbraw/zinc/93/35/39/436933539.db2.gz WZJVYASSNBNWSK-UHFFFAOYSA-N 0 0 349.358 0.358 10 0 ECAERN CCCc1cc(C(=O)N2CCN(c3ccc4nncn4n3)CC2)[nH]n1 ZINC000136430299 436933555 /nfs/dbraw/zinc/93/35/55/436933555.db2.gz PJNMUKKHHWRPKD-UHFFFAOYSA-N 0 0 340.391 0.762 10 0 ECAERN C[N@@H+](CC(=O)[O-])C[C@@H]1CN(C(=O)Cc2ccc(F)cc2F)CCO1 ZINC000262976198 436946723 /nfs/dbraw/zinc/94/67/23/436946723.db2.gz SOYPZBHFHWPXOV-CYBMUJFWSA-N 0 0 342.342 0.751 10 0 ECAERN CCS(=O)(=O)CCn1ccc(NC(=O)[C@H]2CC(F)(F)CN2)n1 ZINC000263263130 436959620 /nfs/dbraw/zinc/95/96/20/436959620.db2.gz RFXPDDGATXKNGC-SECBINFHSA-N 0 0 336.364 0.254 10 0 ECAERN C[C@H](C(=O)NC[C@@H]1CN(C)CCO1)n1nnc(-c2ccccc2)n1 ZINC000172922471 437033279 /nfs/dbraw/zinc/03/32/79/437033279.db2.gz LCXRMKZRYAEDEU-TZMCWYRMSA-N 0 0 330.392 0.348 10 0 ECAERN C[C@@H](COCc1ccccc1)NC(=O)Cn1ccc(=O)n(C)c1=O ZINC000172953108 437033847 /nfs/dbraw/zinc/03/38/47/437033847.db2.gz AYKDCJXNLDGKAJ-ZDUSSCGKSA-N 0 0 331.372 0.269 10 0 ECAERN C[C@H](COCc1ccccc1)NC(=O)CN1CCCS1(=O)=O ZINC000172973683 437034128 /nfs/dbraw/zinc/03/41/28/437034128.db2.gz ITTVTWUZWSWRLO-CYBMUJFWSA-N 0 0 326.418 0.743 10 0 ECAERN CN1CCO[C@H](CNC(=O)NCc2ccccc2N2CCOCC2)C1 ZINC000171667531 436985872 /nfs/dbraw/zinc/98/58/72/436985872.db2.gz XCWKYOBHANHXEB-MRXNPFEDSA-N 0 0 348.447 0.653 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1ccnc(-n3cncn3)c1)CC2 ZINC000172254902 437005018 /nfs/dbraw/zinc/00/50/18/437005018.db2.gz LNKBDFFFKGDZOG-LBPRGKRZSA-N 0 0 338.375 0.561 10 0 ECAERN CCc1nnc([C@H]2CN(C(=O)CCCC(=O)NC(C)C)CCO2)[nH]1 ZINC000173571870 437055933 /nfs/dbraw/zinc/05/59/33/437055933.db2.gz BODHOXGMZIUNBI-GFCCVEGCSA-N 0 0 337.424 0.962 10 0 ECAERN Cc1nnc([C@H]2CN(C(=O)C(=O)NCc3ccc(F)cc3)CCO2)[nH]1 ZINC000173601676 437058035 /nfs/dbraw/zinc/05/80/35/437058035.db2.gz CSXOVHIJOXKCJK-CYBMUJFWSA-N 0 0 347.350 0.469 10 0 ECAERN Cc1nnc([C@H]2CN(CC(=O)NCc3ccccc3F)CCO2)[nH]1 ZINC000173676156 437060591 /nfs/dbraw/zinc/06/05/91/437060591.db2.gz JOFXPEMKCZRMAB-CQSZACIVSA-N 0 0 333.367 0.942 10 0 ECAERN CC(C)(CNC(=O)N1CC[C@@H](N2CCOCC2)C1)N1CCOCC1 ZINC000173765320 437062191 /nfs/dbraw/zinc/06/21/91/437062191.db2.gz DYYNUPCQMPIOSJ-OAHLLOKOSA-N 0 0 340.468 0.213 10 0 ECAERN C[C@@H](NC(=O)CNC1(c2noc(C3CC3)n2)CCCC1)C(=O)N(C)C ZINC000173711150 437062782 /nfs/dbraw/zinc/06/27/82/437062782.db2.gz CNBDPWYCMNYYCN-LLVKDONJSA-N 0 0 349.435 0.899 10 0 ECAERN Cc1nnc([C@H]2CN(C(=O)CNC(=O)c3cccc(F)c3)CCO2)[nH]1 ZINC000173755621 437062807 /nfs/dbraw/zinc/06/28/07/437062807.db2.gz CSGMVGZZBAZMNV-CYBMUJFWSA-N 0 0 347.350 0.582 10 0 ECAERN NC(=O)c1cccc(CNC(=O)N2CC[C@H](N3CCOCC3)C2)c1 ZINC000173773960 437064082 /nfs/dbraw/zinc/06/40/82/437064082.db2.gz CPEIKJOSXYOPAX-HNNXBMFYSA-N 0 0 332.404 0.402 10 0 ECAERN O=C(Nc1ccc(Cl)nc1)C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000174008705 437073416 /nfs/dbraw/zinc/07/34/16/437073416.db2.gz AFXGCOQRDDRHAZ-LBPRGKRZSA-N 0 0 338.795 0.607 10 0 ECAERN COCc1cc(C(=O)N[C@H]2CCCN(c3cc(C)nn3C)C2=O)no1 ZINC000173068518 437037812 /nfs/dbraw/zinc/03/78/12/437037812.db2.gz MCMBQDPBNJJXSC-LBPRGKRZSA-N 0 0 347.375 0.788 10 0 ECAERN CCNC(=O)NC1(C(=O)N2CCN(C[C@@H](C)O)[C@@H](C)C2)CCCC1 ZINC000174316500 437078340 /nfs/dbraw/zinc/07/83/40/437078340.db2.gz IFIGSGBYXWDSRV-UONOGXRCSA-N 0 0 340.468 0.532 10 0 ECAERN CC[C@@H]1CN(C(=O)CCCCN2CCOCC2)CC[N@@H+]1C[C@@H](C)O ZINC000174595073 437083520 /nfs/dbraw/zinc/08/35/20/437083520.db2.gz BVHCVEWEXOPTBT-IAGOWNOFSA-N 0 0 341.496 0.793 10 0 ECAERN CC[C@H]1CN(C(=O)CS(=O)(=O)CC(C)C)CCN1C[C@@H](C)O ZINC000174636483 437086133 /nfs/dbraw/zinc/08/61/33/437086133.db2.gz AKOSNSWHIDGHQL-KGLIPLIRSA-N 0 0 334.482 0.361 10 0 ECAERN NC(=O)[C@H]1COCCN1C(=O)c1ccc(N2CCCCCC2)nc1 ZINC000091810813 303333858 /nfs/dbraw/zinc/33/38/58/303333858.db2.gz JHNVHUQNABRDML-CQSZACIVSA-N 0 0 332.404 0.788 10 0 ECAERN CC(C)Cn1cnc(S(=O)(=O)N2CC[C@@H](N3CCOCC3)C2)c1 ZINC000175030640 437096020 /nfs/dbraw/zinc/09/60/20/437096020.db2.gz OGHHRFFUJLJMMB-CQSZACIVSA-N 0 0 342.465 0.634 10 0 ECAERN COCCN1C(=O)N[C@@H]2CN(c3nnnn3-c3ccccc3)CC[C@@H]21 ZINC000299745415 437109485 /nfs/dbraw/zinc/10/94/85/437109485.db2.gz YWTXRYKDGSPKRD-KGLIPLIRSA-N 0 0 343.391 0.281 10 0 ECAERN Cn1cc(N2CC[C@H](NC3=NS(=O)(=O)c4ccccc43)C2=O)cn1 ZINC000301280257 437118418 /nfs/dbraw/zinc/11/84/18/437118418.db2.gz KDUMAZYHQOYFAS-LBPRGKRZSA-N 0 0 345.384 0.264 10 0 ECAERN O=S1(=O)N=C(NC[C@@H](CO)Cc2ccccn2)c2ccccc21 ZINC000301596901 437124521 /nfs/dbraw/zinc/12/45/21/437124521.db2.gz SOPPIGRWBNEVPZ-LBPRGKRZSA-N 0 0 331.397 0.971 10 0 ECAERN CC(C)n1nccc1NC(=O)C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000176079595 437129968 /nfs/dbraw/zinc/12/99/68/437129968.db2.gz JYXVELQISDAAAR-ZDUSSCGKSA-N 0 0 335.408 0.336 10 0 ECAERN CC(C)c1nnc2n1C[C@@H](NC(=O)c1cc(C(N)=O)cn1C)CC2 ZINC000176157929 437132258 /nfs/dbraw/zinc/13/22/58/437132258.db2.gz WDOQADBUOPHBQW-NSHDSACASA-N 0 0 330.392 0.584 10 0 ECAERN Cc1cc(N2CCC[C@@H](NC(=O)N3CCC(C)(O)CC3)C2=O)n(C)n1 ZINC000177554215 437189897 /nfs/dbraw/zinc/18/98/97/437189897.db2.gz QSBFXTYTJRXFEZ-CYBMUJFWSA-N 0 0 349.435 0.780 10 0 ECAERN O=C(Nc1ccc(F)c(F)c1F)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000177625204 437192515 /nfs/dbraw/zinc/19/25/15/437192515.db2.gz XFOCKCCOOALHPE-ZETCQYMHSA-N 0 0 339.277 0.765 10 0 ECAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000317566622 437194537 /nfs/dbraw/zinc/19/45/37/437194537.db2.gz OACCVEACYFFBPN-IGQOVBAYSA-N 0 0 330.450 0.420 10 0 ECAERN O=C(CNC(=O)c1ccccn1)N1CC[C@H](Oc2cccnc2)C1 ZINC000178089740 437205535 /nfs/dbraw/zinc/20/55/35/437205535.db2.gz YENWNYLVDZINGB-AWEZNQCLSA-N 0 0 326.356 0.886 10 0 ECAERN CNC(=O)[C@H](NC(=O)NCCC(=O)NCc1ccccc1)C(C)C ZINC000178417307 437214113 /nfs/dbraw/zinc/21/41/13/437214113.db2.gz LNLYGLMKPBYXGC-OAHLLOKOSA-N 0 0 334.420 0.763 10 0 ECAERN Cc1noc([C@@]2(O)CCN(S(=O)(=O)Cc3cccc(F)c3)C2)n1 ZINC000328611295 437238940 /nfs/dbraw/zinc/23/89/40/437238940.db2.gz LBVMMUZKZZIESZ-CQSZACIVSA-N 0 0 341.364 0.940 10 0 ECAERN CCc1ncnc(NC[C@@H]2CC(=O)N(C)[C@H]2c2cnn(C)c2)c1F ZINC000328608698 437239079 /nfs/dbraw/zinc/23/90/79/437239079.db2.gz AZCGKSBHCYZLQP-ZUZCIYMTSA-N 0 0 332.383 1.543 10 0 ECAERN CCN1CCN(C(=O)Cn2ccccc2=O)C[C@H]1c1nccn1C ZINC000328615205 437239607 /nfs/dbraw/zinc/23/96/07/437239607.db2.gz ARLILUVZMNGOHM-AWEZNQCLSA-N 0 0 329.404 0.487 10 0 ECAERN Cc1nnc(CN(C)[C@H]2CN(C(=O)[C@H](C)OCC3CC3)C[C@H]2O)o1 ZINC000328629429 437241190 /nfs/dbraw/zinc/24/11/90/437241190.db2.gz IFDLJDJYYDCVBR-LEWSCRJBSA-N 0 0 338.408 0.197 10 0 ECAERN CCn1cnnc1[C@@H]1CN(C(=O)Cn2nnc3ccccc32)CCO1 ZINC000328619953 437241905 /nfs/dbraw/zinc/24/19/05/437241905.db2.gz GNPDEMJOIGEYAM-AWEZNQCLSA-N 0 0 341.375 0.643 10 0 ECAERN CCCc1cc(C(=O)N2CC(N3CCn4c(C)nnc4C3)C2)[nH]n1 ZINC000328626134 437241945 /nfs/dbraw/zinc/24/19/45/437241945.db2.gz DVPKAZHVMFCHLZ-UHFFFAOYSA-N 0 0 329.408 0.602 10 0 ECAERN CN(C[C@@H]1C[C@H](F)CN1Cc1cncnc1)C(=O)Nc1ccn(C)n1 ZINC000328633174 437243128 /nfs/dbraw/zinc/24/31/28/437243128.db2.gz LVIFUNADUFPMKD-KBPBESRZSA-N 0 0 347.398 1.286 10 0 ECAERN O=C1[C@@H](N2CCO[C@@H](Cn3cccn3)C2)CCN1C1CCOCC1 ZINC000328667656 437249159 /nfs/dbraw/zinc/24/91/59/437249159.db2.gz KYVWHZHZLAKTKB-CVEARBPZSA-N 0 0 334.420 0.364 10 0 ECAERN CN(Cc1c(F)cccc1Cl)C(=O)CN1C[C@@H](O)C[C@@H]1CO ZINC000179179261 437255685 /nfs/dbraw/zinc/25/56/85/437255685.db2.gz VVWHOJKZBFLPSM-MNOVXSKESA-N 0 0 330.787 0.865 10 0 ECAERN CCn1cc(C(=O)C(=O)N[C@@H]2CCc3nnc(C(C)C)n3C2)cn1 ZINC000179252240 437257347 /nfs/dbraw/zinc/25/73/47/437257347.db2.gz JCLALDNARFWEPZ-GFCCVEGCSA-N 0 0 330.392 0.932 10 0 ECAERN CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)N2CCC(c3cc[nH]n3)CC2)O1 ZINC000181240356 437314170 /nfs/dbraw/zinc/31/41/70/437314170.db2.gz SFRFJRJRGGCTHA-HIFRSBDPSA-N 0 0 349.435 0.935 10 0 ECAERN COCCOCCNC(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000181488147 437320999 /nfs/dbraw/zinc/32/09/99/437320999.db2.gz RRGGSAUNNBZLLE-GFCCVEGCSA-N 0 0 325.413 0.679 10 0 ECAERN Cc1ccc(NC(=O)C(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)cn1 ZINC000180259401 437285356 /nfs/dbraw/zinc/28/53/56/437285356.db2.gz CCVHGPQSWDXHAL-SWLSCSKDSA-N 0 0 332.404 0.508 10 0 ECAERN CCOc1ccnc(N2CCN(Cc3nc(COC)no3)CC2)n1 ZINC000182237778 437343112 /nfs/dbraw/zinc/34/31/12/437343112.db2.gz BIKMRDWRUDKVQS-UHFFFAOYSA-N 0 0 334.380 0.727 10 0 ECAERN Cc1nnc([C@H]2CN(C(=O)Cc3ccc4c(c3)NC(=O)C4)CCO2)[nH]1 ZINC000182481938 437350637 /nfs/dbraw/zinc/35/06/37/437350637.db2.gz HICCYCQHQLICGC-CQSZACIVSA-N 0 0 341.371 0.750 10 0 ECAERN CNc1cc(N2CCC[C@H]2CNC(=O)N[C@H](C)c2nc[nH]n2)ncn1 ZINC000183130616 437374647 /nfs/dbraw/zinc/37/46/47/437374647.db2.gz ZIPXFOZKIOAGMB-MNOVXSKESA-N 0 0 345.411 0.666 10 0 ECAERN CC(C)c1nnc2n1C[C@@H](NC(=O)N1CCC3(C1)OCCO3)CC2 ZINC000181714557 437327492 /nfs/dbraw/zinc/32/74/92/437327492.db2.gz RVKFFDAMLOGAEU-LBPRGKRZSA-N 0 0 335.408 0.875 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)N[C@H]2CC(=O)N(C(C)(C)C)C2)CC1 ZINC000181926527 437332239 /nfs/dbraw/zinc/33/22/39/437332239.db2.gz RFYKZIZCVBFDLA-UONOGXRCSA-N 0 0 340.468 0.484 10 0 ECAERN Cc1cc(N2CCC[C@@H](NC(=O)NC3(CO)CCC3)C2=O)n(C)n1 ZINC000186343674 437471745 /nfs/dbraw/zinc/47/17/45/437471745.db2.gz IBQIUPMOPQXVGY-GFCCVEGCSA-N 0 0 335.408 0.438 10 0 ECAERN COCC(=O)NC1CN(C(=O)c2cc(-c3ccc(F)cc3)n[nH]2)C1 ZINC000185271417 437432472 /nfs/dbraw/zinc/43/24/72/437432472.db2.gz OJIFAMXCVSWXIF-UHFFFAOYSA-N 0 0 332.335 0.803 10 0 ECAERN COCC(=O)NC1CN(C(=O)c2cnn(Cc3ccccc3)c2)C1 ZINC000185294172 437434493 /nfs/dbraw/zinc/43/44/93/437434493.db2.gz QRBOANDEOKAVDC-UHFFFAOYSA-N 0 0 328.372 0.518 10 0 ECAERN C[C@H]1CN(C(=O)c2ccc3nnn(C)c3c2)C[C@H]1N1CCOCC1 ZINC000185367813 437436962 /nfs/dbraw/zinc/43/69/62/437436962.db2.gz BQIMCANVCDDNMG-BLLLJJGKSA-N 0 0 329.404 0.761 10 0 ECAERN CC(C)CC(=O)N[C@@H](C(=O)NCc1nc(N(C)C)no1)C(C)C ZINC000187406414 437502327 /nfs/dbraw/zinc/50/23/27/437502327.db2.gz BBGTWVXTQBRYPD-CYBMUJFWSA-N 0 0 325.413 0.939 10 0 ECAERN CNS(=O)(=O)CCNC(=O)N1CCC[C@@H](c2nc(C)cs2)C1 ZINC000188174096 437532455 /nfs/dbraw/zinc/53/24/55/437532455.db2.gz LAVIHXNMDVEFSJ-LLVKDONJSA-N 0 0 346.478 0.890 10 0 ECAERN CN(C(=O)C(=O)Nc1cccnc1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000188562536 437557385 /nfs/dbraw/zinc/55/73/85/437557385.db2.gz SBCFBZNIWQFFGB-CQSZACIVSA-N 0 0 340.387 0.938 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)[C@@H](C)NC(=O)CC(C)(C)C)CC1 ZINC000189301958 437589935 /nfs/dbraw/zinc/58/99/35/437589935.db2.gz BAEKDDZTOXMPHJ-KGLIPLIRSA-N 0 0 327.469 0.842 10 0 ECAERN C[C@@H]1OCCC[C@H]1C(=O)N1CCN(c2ncccc2C(N)=O)CC1 ZINC000190716848 437636936 /nfs/dbraw/zinc/63/69/36/437636936.db2.gz OLGVHCRDSFWZNB-QWHCGFSZSA-N 0 0 332.404 0.644 10 0 ECAERN CCn1cc([C@@H]2CN([C@@H](C)C(=O)NC(=O)NC3CC3)CCO2)cn1 ZINC000190800720 437638237 /nfs/dbraw/zinc/63/82/37/437638237.db2.gz CTZJPGKWZVGRLC-FZMZJTMJSA-N 0 0 335.408 0.653 10 0 ECAERN CNc1cc(N2CCC[C@@H]2CNC(=O)NC[C@@H]2CC[C@H](O)C2)ncn1 ZINC000190911509 437641267 /nfs/dbraw/zinc/64/12/67/437641267.db2.gz CQUGAKJJMUJJGY-MCIONIFRSA-N 0 0 348.451 0.947 10 0 ECAERN Cc1c(C(=O)NC[C@@H]2CN(C)CCO2)nnn1Cc1ccc(F)cc1 ZINC000192467604 437677887 /nfs/dbraw/zinc/67/78/87/437677887.db2.gz RFSUQSCVIRQCOM-OAHLLOKOSA-N 0 0 347.394 0.834 10 0 ECAERN CO[C@H]1C[C@H](C(=O)N[C@@H]2C[C@](C)(OC)C2(C)C)N(S(C)(=O)=O)C1 ZINC000366054931 438009515 /nfs/dbraw/zinc/00/95/15/438009515.db2.gz PKKWVEOTCXRTBL-YFCNSXCBSA-N 0 0 348.465 0.355 10 0 ECAERN CCNC(=O)N1CCN(S(=O)(=O)[C@H]2CCC[C@H]2C(=O)OC)CC1 ZINC000391194520 438438410 /nfs/dbraw/zinc/43/84/10/438438410.db2.gz OBGJXNZFCPBWEW-NEPJUHHUSA-N 0 0 347.437 0.005 10 0 ECAERN C[C@H](O)CNS(=O)(=O)C[C@@H]1CCCN(C(=O)c2cccs2)C1 ZINC000521396715 439118174 /nfs/dbraw/zinc/11/81/74/439118174.db2.gz WAYLZOSEELZMNA-NWDGAFQWSA-N 0 0 346.474 0.901 10 0 ECAERN CC(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCO[C@H](c2nncn2C)C1 ZINC000583623950 439488765 /nfs/dbraw/zinc/48/87/65/439488765.db2.gz RQKUHGJFHSTUEO-IHRRRGAJSA-N 0 0 337.424 0.959 10 0 ECAERN Cc1nc2ccnn2c(C)c1C(=O)N[C@@H]1C[C@H](O)[C@H]1n1cccn1 ZINC000616772986 439822011 /nfs/dbraw/zinc/82/20/11/439822011.db2.gz HWIJRWLWWUFCJZ-XUJVJEKNSA-N 0 0 326.360 0.647 10 0 ECAERN CC(C)Oc1ccc(C(=O)N2C[C@@H](O)[C@H](Oc3cnn(C)c3)C2)cn1 ZINC000628258049 440442339 /nfs/dbraw/zinc/44/23/39/440442339.db2.gz MIIOBEKTMHXEDG-HUUCEWRRSA-N 0 0 346.387 0.867 10 0 ECAERN COc1ccc2c(c1)CN(C(=O)CN1CCCC[C@H](O)C1=O)CC2 ZINC000644346025 440539610 /nfs/dbraw/zinc/53/96/10/440539610.db2.gz WPPJFAZXEWXPAY-INIZCTEOSA-N 0 0 332.400 0.953 10 0 ECAERN CCCc1nc(C)c(CNC(=O)[C@@H]2Cn3c(C)nnc3CN2C)o1 ZINC000644472121 440611693 /nfs/dbraw/zinc/61/16/93/440611693.db2.gz KZDQKOFPWDJYAL-LBPRGKRZSA-N 0 0 332.408 0.966 10 0 ECAERN CN(C[C@@H](O)COCc1ccccc1)C(=O)[C@@H]1CCN(C)C(=O)C1 ZINC000176567046 320520187 /nfs/dbraw/zinc/52/01/87/320520187.db2.gz ATGWMNLGCDIILE-HZPDHXFCSA-N 0 0 334.416 0.891 10 0 ECAERN COc1cccc(CC(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)n1 ZINC000328707711 320728808 /nfs/dbraw/zinc/72/88/08/320728808.db2.gz QDMHSFMCGFGDON-CQSZACIVSA-N 0 0 347.415 0.730 10 0 ECAERN CCN(C(=O)C[C@@H](C)N1CCCCC1=O)[C@H]1CCS(=O)(=O)C1 ZINC000328760612 320731255 /nfs/dbraw/zinc/73/12/55/320731255.db2.gz XOSHBKXUPYCWND-OLZOCXBDSA-N 0 0 330.450 0.813 10 0 ECAERN C[C@H]1CN(S(=O)(=O)NCc2ccnc3ccnn32)C[C@H](C)O1 ZINC000329237409 320761755 /nfs/dbraw/zinc/76/17/55/320761755.db2.gz KGNUQTMCFASMBZ-QWRGUYRKSA-N 0 0 325.394 0.173 10 0 ECAERN CC1(CCS(=O)(=O)N2CCC[C@](O)(C(=O)N3CCCC3)C2)CC1 ZINC000329403211 320770266 /nfs/dbraw/zinc/77/02/66/320770266.db2.gz CANWWCYMFRNWTM-MRXNPFEDSA-N 0 0 344.477 0.956 10 0 ECAERN O=C(c1ncccc1OCC(F)F)N1CCN2CCOC[C@H]2C1 ZINC000329659638 320783548 /nfs/dbraw/zinc/78/35/48/320783548.db2.gz HWKVUSYUYFEGSU-LLVKDONJSA-N 0 0 327.331 0.882 10 0 ECAERN O=C(Cn1ncc(=O)c2ccccc21)N1CC[C@@]2(CNC(=O)C2)C1 ZINC000329886496 320793494 /nfs/dbraw/zinc/79/34/94/320793494.db2.gz WEISOUZKIWTLDZ-QGZVFWFLSA-N 0 0 326.356 0.975 10 0 ECAERN CO[C@H]1C[C@H](C(=O)N2CCC[C@@H](Cc3nccn3C)C2)N(C(C)=O)C1 ZINC000329905315 320794725 /nfs/dbraw/zinc/79/47/25/320794725.db2.gz RMRRSYIUUYPKNM-HRCADAONSA-N 0 0 348.447 0.837 10 0 ECAERN Cc1nc(CN2CCN(C(=O)C[C@@H](C)N3CCCCC3=O)CC2)no1 ZINC000329922569 320795887 /nfs/dbraw/zinc/79/58/87/320795887.db2.gz IBLUCPHYKURNAZ-CYBMUJFWSA-N 0 0 349.435 0.813 10 0 ECAERN O=C(C1CCCC1)N1CC(S(=O)(=O)N2CC(O)(C3CC3)C2)C1 ZINC000330072916 320802915 /nfs/dbraw/zinc/80/29/15/320802915.db2.gz KCDGTXDKSNAWTO-UHFFFAOYSA-N 0 0 328.434 0.174 10 0 ECAERN C[C@@H]1CN(C(=O)Cn2ncc(=O)c3ccccc32)C[C@@]2(CCOC2)O1 ZINC000330106448 320805071 /nfs/dbraw/zinc/80/50/71/320805071.db2.gz KXJPWCXVWXCYDK-FZKQIMNGSA-N 0 0 343.383 0.803 10 0 ECAERN O=C(N[C@H]1CCC(=O)N[C@@H]1[C@H]1CCCO1)c1cc(C(F)(F)F)n[nH]1 ZINC000555611313 322185688 /nfs/dbraw/zinc/18/56/88/322185688.db2.gz MGDVIXJNFFPLLD-VMAXQDLPSA-N 0 0 346.309 0.985 10 0 ECAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)C(=O)Nc3ccn(C)n3)CCO2)n1 ZINC000177656392 534113235 /nfs/dbraw/zinc/11/32/35/534113235.db2.gz LEOBLGCDFZIQLN-ZDUSSCGKSA-N 0 0 346.391 0.100 10 0 ECAERN NC(=O)c1cccc(NC(=O)N2CCO[C@H](Cn3cccn3)C2)c1 ZINC000171816918 534497280 /nfs/dbraw/zinc/49/72/80/534497280.db2.gz YYJMJINBOSIMET-AWEZNQCLSA-N 0 0 329.360 0.915 10 0 ECAERN NC(=O)c1cnn2c1nccc2C(=O)N1CCN2CCCC[C@H]2C1 ZINC000155099270 534513276 /nfs/dbraw/zinc/51/32/76/534513276.db2.gz YEAITIMVJTYVND-NSHDSACASA-N 0 0 328.376 0.139 10 0 ECAERN Cc1sc(=O)n(CC(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)c1C ZINC000173819988 534602868 /nfs/dbraw/zinc/60/28/68/534602868.db2.gz AULVAVHSETURHB-FZMZJTMJSA-N 0 0 339.461 0.706 10 0 ECAERN CC(=O)NC1CN(C(=O)[C@H]2CC(=O)N(Cc3ccc(C)cc3)C2)C1 ZINC000190454455 526712651 /nfs/dbraw/zinc/71/26/51/526712651.db2.gz QPZWLCJFRILYMT-HNNXBMFYSA-N 0 0 329.400 0.690 10 0 ECAERN CCO[C@@H]1C[C@H](NC(=O)Cc2nc3ncccn3n2)C12CCOCC2 ZINC000187122799 527913004 /nfs/dbraw/zinc/91/30/04/527913004.db2.gz WWMMLKULPXGULH-QWHCGFSZSA-N 0 0 345.403 0.757 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)C(=O)Nc2ccc(F)cc2F)CC1 ZINC000189475264 529226445 /nfs/dbraw/zinc/22/64/45/529226445.db2.gz UZCMPCKDJDZEKG-GFCCVEGCSA-N 0 0 341.358 0.818 10 0 ECAERN CNC(=O)[C@H](NC(=O)[C@H]1Cc2ccccc2CN1C(C)=O)C(C)C ZINC000178589433 545878397 /nfs/dbraw/zinc/87/83/97/545878397.db2.gz CKHACXMSSIUTQS-HZPDHXFCSA-N 0 0 331.416 0.847 10 0 ECAERN O=C(NC[C@@H](O)CN1CCOCC1)c1c[nH]nc1-c1ccsc1 ZINC000187804243 545902370 /nfs/dbraw/zinc/90/23/70/545902370.db2.gz ILQIITKXYYUSAN-GFCCVEGCSA-N 0 0 336.417 0.561 10 0 ECAERN CN1CCO[C@H](CNC(=O)C(=O)Nc2cc(C(F)(F)F)ccn2)C1 ZINC000193283803 545911470 /nfs/dbraw/zinc/91/14/70/545911470.db2.gz NCMKOKSMRLLGNM-SNVBAGLBSA-N 0 0 346.309 0.486 10 0 ECAERN Cn1nccc1[C@H]1[C@H](NC(=O)N2CC[C@@H](F)C2)CC(=O)N1C1CC1 ZINC000333537873 546061248 /nfs/dbraw/zinc/06/12/48/546061248.db2.gz RJPYRUNOMQHZKL-IXPVHAAZSA-N 0 0 335.383 0.978 10 0 ECAERN O=C(Cc1ccc2c(c1)CCC2)N1CC[C@@](O)(Cn2ccnn2)C1 ZINC000671499776 548162912 /nfs/dbraw/zinc/16/29/12/548162912.db2.gz OOFYPRYIJSCOBL-SFHVURJKSA-N 0 0 326.400 0.973 10 0 ECAERN CCOCc1ccccc1CNC(=O)c1cn([C@@H]2COC[C@H]2O)nn1 ZINC000888093543 586348664 /nfs/dbraw/zinc/34/86/64/586348664.db2.gz DZCNSKCXHSZQHC-HZPDHXFCSA-N 0 0 346.387 0.677 10 0 ECAERN Cn1cnnc1[C@@H]1CN(C(=O)c2ccc3c(n2)CCCN3)CCO1 ZINC000898174997 586405979 /nfs/dbraw/zinc/40/59/79/586405979.db2.gz HHFXAUDYLCUUQF-AWEZNQCLSA-N 0 0 328.376 0.782 10 0 ECAERN C[C@@H](NC(=O)[C@@H]1OCCN(C)C1=O)c1ccc(S(C)(=O)=O)cc1 ZINC000900034005 586519747 /nfs/dbraw/zinc/51/97/47/586519747.db2.gz OURATJKSJUVFQQ-MFKMUULPSA-N 0 0 340.401 0.125 10 0 ECAERN Cc1nnc2n1C[C@@H](C(N)=O)N(C(=O)CCc1cc(F)ccc1F)C2 ZINC000818350116 587424745 /nfs/dbraw/zinc/42/47/45/587424745.db2.gz QRRXPGIXYGHHKJ-ZDUSSCGKSA-N 0 0 349.341 0.694 10 0 ECAERN CCn1cc(O[C@@H]2COC[C@@H]2NC(=O)CCc2cnn(C)c2C)cn1 ZINC000818599591 587440185 /nfs/dbraw/zinc/44/01/85/587440185.db2.gz AEDBUTACMVFEPQ-JKSUJKDBSA-N 0 0 347.419 0.840 10 0 ECAERN CCCS(=O)(=O)CCN1CCN([C@@H](C)c2nc(C)no2)CC1 ZINC000105864781 589143441 /nfs/dbraw/zinc/14/34/41/589143441.db2.gz NBVALSQDJYPPED-LBPRGKRZSA-N 0 0 330.454 0.881 10 0 ECAERN Cn1cc(O[C@@H]2COC[C@@H]2NC(=O)Cc2ccc3c(c2)COC3)cn1 ZINC000862922827 589974318 /nfs/dbraw/zinc/97/43/18/589974318.db2.gz IOMMXEPGYOKUBE-DLBZAZTESA-N 0 0 343.383 0.955 10 0 ECAERN COCc1nn(CN2CCO[C@@H](Cn3nc(C)cc3C)C2)c(=O)o1 ZINC000119737749 590049113 /nfs/dbraw/zinc/04/91/13/590049113.db2.gz JMOACDNGXKUFFN-CYBMUJFWSA-N 0 0 337.380 0.155 10 0 ECAERN COCCS(=O)(=O)N[C@H]1CC[C@@H](C(F)(F)F)N(C(C)=O)C1 ZINC000886039139 590788177 /nfs/dbraw/zinc/78/81/77/590788177.db2.gz KFTUSRQXXYSOBV-UWVGGRQHSA-N 0 0 332.344 0.494 10 0 ECAERN O=C([O-])[C@@]1([NH+]2CCN(Cc3nnc4n3CCCCC4)CC2)CCOC1 ZINC000886072028 590789561 /nfs/dbraw/zinc/78/95/61/590789561.db2.gz ZKLMJTJKQDIIKI-QGZVFWFLSA-N 0 0 349.435 0.366 10 0 ECAERN C[C@H](CNC(=O)C(=O)Nc1cnn(C(C)(C)C)c1)N1CCOCC1 ZINC000134091705 590790575 /nfs/dbraw/zinc/79/05/75/590790575.db2.gz NEUQJSALHVICMK-GFCCVEGCSA-N 0 0 337.424 0.414 10 0 ECAERN NC(=O)[C@@]1(N2CCN(Cc3c(F)cccc3F)CC2)CCOC1 ZINC000886074612 590790938 /nfs/dbraw/zinc/79/09/38/590790938.db2.gz GPGCDFOBOHHYIW-MRXNPFEDSA-N 0 0 325.359 0.727 10 0 ECAERN CO[C@@H]1CCCCN(CC(=O)NCc2nn(C)cc2Cl)C1=O ZINC000886077606 590791019 /nfs/dbraw/zinc/79/10/19/590791019.db2.gz CLRHYZBUKYUOKQ-GFCCVEGCSA-N 0 0 328.800 0.717 10 0 ECAERN COCc1cc(C(=O)NC[C@@H]2OCCN(C)[C@H]2c2ccnn2C)no1 ZINC000886079112 590791543 /nfs/dbraw/zinc/79/15/43/590791543.db2.gz JSBFUZOUFGUIOC-GJZGRUSLSA-N 0 0 349.391 0.356 10 0 ECAERN COCc1ccccc1C(=O)N1CCN([C@@]2(C(N)=O)CCOC2)CC1 ZINC000886094244 590794622 /nfs/dbraw/zinc/79/46/22/590794622.db2.gz XESFDGHMSPVHDQ-SFHVURJKSA-N 0 0 347.415 0.235 10 0 ECAERN COCc1ccccc1C(=O)N1CCN([C@]2(C(N)=O)CCOC2)CC1 ZINC000886094243 590795058 /nfs/dbraw/zinc/79/50/58/590795058.db2.gz XESFDGHMSPVHDQ-GOSISDBHSA-N 0 0 347.415 0.235 10 0 ECAERN Cc1cc(C)n(CC(=O)N2CCC[C@@](O)(Cc3nc(C)no3)C2)n1 ZINC000886096836 590795684 /nfs/dbraw/zinc/79/56/84/590795684.db2.gz LPHFOBPQLVJRCE-MRXNPFEDSA-N 0 0 333.392 0.788 10 0 ECAERN Cc1cc(C)n(CC(=O)N2CCC[C@](O)(Cc3nc(C)no3)C2)n1 ZINC000886096834 590795716 /nfs/dbraw/zinc/79/57/16/590795716.db2.gz LPHFOBPQLVJRCE-INIZCTEOSA-N 0 0 333.392 0.788 10 0 ECAERN O=C([O-])[C@@]1([NH+]2CCN(C(=O)Cc3cccc(F)c3)CC2)CCOC1 ZINC000886096929 590795722 /nfs/dbraw/zinc/79/57/22/590795722.db2.gz OXIGADMGAFFKIY-QGZVFWFLSA-N 0 0 336.363 0.756 10 0 ECAERN CC(C)[C@H](NS(=O)(=O)c1c(Cl)nc2sccn21)C(N)=O ZINC000223940493 590995550 /nfs/dbraw/zinc/99/55/50/590995550.db2.gz XGGATNZYVKACQY-LURJTMIESA-N 0 0 336.826 0.837 10 0 ECAERN O=C(N1CCN(C[C@H](O)c2ccccc2)CC1)[C@@]1(O)CCSC1 ZINC000179751791 608923241 /nfs/dbraw/zinc/92/32/41/608923241.db2.gz HUOJLIVWPYLNOK-DOTOQJQBSA-N 0 0 336.457 0.732 10 0 ECAERN CC[C@@H](C)[C@H]1Nc2ncnc(NCC(=O)N3CCOCC3)c2NC1=O ZINC000224000589 608960255 /nfs/dbraw/zinc/96/02/55/608960255.db2.gz SUOLYFYIUUPIPP-ZYHUDNBSSA-N 0 0 348.407 0.526 10 0 ECAERN CCCN1C(=O)C(=O)N(CN2CCC[C@@H]2Cn2ccnc2C)C1=O ZINC000176082998 609084965 /nfs/dbraw/zinc/08/49/65/609084965.db2.gz COZUWCVIXSHHSZ-CYBMUJFWSA-N 0 0 333.392 0.814 10 0 ECAERN Cc1nonc1CN1CCN(C(=O)[C@@H]2CO[C@H]3C=CC=C[C@@H]3O2)CC1 ZINC000222308981 609699481 /nfs/dbraw/zinc/69/94/81/609699481.db2.gz IMDBJTFVWORJIW-JYJNAYRXSA-N 0 0 346.387 0.301 10 0 ECAERN CON(C)C(=O)CCn1c2ccccc2nc(N2CCOCC2)c1=O ZINC000222920989 609705961 /nfs/dbraw/zinc/70/59/61/609705961.db2.gz IYOBTASAZDUSBE-UHFFFAOYSA-N 0 0 346.387 0.643 10 0 ECAERN Cc1c(C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)nn2c1OCC2 ZINC000223835763 609714795 /nfs/dbraw/zinc/71/47/95/609714795.db2.gz OPWWYKFRNYIIKW-LBPRGKRZSA-N 0 0 334.376 0.047 10 0 ECAERN CC(C)[C@@H]1Nc2ncnc(NCC(=O)N3CCOCC3)c2NC1=O ZINC000223987540 609716600 /nfs/dbraw/zinc/71/66/00/609716600.db2.gz NIRZRKAXEIYZBZ-NSHDSACASA-N 0 0 334.380 0.136 10 0 ECAERN CCCn1cc(NC(=O)C(=O)N2CCC[C@@H](n3cncn3)C2)cn1 ZINC000157957246 609735773 /nfs/dbraw/zinc/73/57/73/609735773.db2.gz AMAIBNCEZQGNOF-CYBMUJFWSA-N 0 0 331.380 0.687 10 0 ECAERN Cc1ncc(CN2CCN(CC(=O)N3CCO[C@H](C)C3)CC2)s1 ZINC000171556535 609761332 /nfs/dbraw/zinc/76/13/32/609761332.db2.gz SPGBWSRLLLPRIX-CYBMUJFWSA-N 0 0 338.477 0.816 10 0 ECAERN COC(=O)c1ncn(CN2CCN(c3nc4ccccc4o3)CC2)n1 ZINC000172497859 609772810 /nfs/dbraw/zinc/77/28/10/609772810.db2.gz PXUVGUSFNOCTIK-UHFFFAOYSA-N 0 0 342.359 0.986 10 0 ECAERN CO[C@@H]1CN(C(=O)/C=C(/C)CN2CCOCC2)C[C@H]1c1cn[nH]n1 ZINC000911354627 609854674 /nfs/dbraw/zinc/85/46/74/609854674.db2.gz NEQKGTWXMWEXCJ-ZNSAQCOGSA-N 0 0 335.408 0.024 10 0 ECAERN COC[C@@]1(C)NC(=O)N(CN2CCc3c(nc(C(C)C)n3C)C2)C1=O ZINC000153014710 609888883 /nfs/dbraw/zinc/88/88/83/609888883.db2.gz JMUWNAXBTKJEJG-QGZVFWFLSA-N 0 0 349.435 0.816 10 0 ECAERN CCc1nnc([C@]23CCC[C@H]2CN(c2cc(=O)n(C)c(=O)n2C)C3)o1 ZINC000912369524 609951859 /nfs/dbraw/zinc/95/18/59/609951859.db2.gz QVNJFZYXXYUWKB-GTNSWQLSSA-N 0 0 345.403 0.588 10 0 ECAERN O=C(c1ccc(CN2C(=O)CCC2=O)cc1)N1CCOC[C@@H]1CO ZINC000912427464 609958316 /nfs/dbraw/zinc/95/83/16/609958316.db2.gz LUQNJEYPEDOGNH-AWEZNQCLSA-N 0 0 332.356 0.169 10 0 ECAERN CCCn1cc(NC(=O)C(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)cn1 ZINC000180249264 610004073 /nfs/dbraw/zinc/00/40/73/610004073.db2.gz PDNBBNQJESMUTO-HIFRSBDPSA-N 0 0 349.435 0.411 10 0 ECAERN C[C@@H](NC(=O)C(=O)Nc1ccc(-n2ccnc2)nc1)[C@@H]1CCCO1 ZINC000071065624 610329146 /nfs/dbraw/zinc/32/91/46/610329146.db2.gz ZXAKDIUDVLBAKT-YPMHNXCESA-N 0 0 329.360 0.890 10 0 ECAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)NCCc1ccnn1C)CC2 ZINC000184737878 610782831 /nfs/dbraw/zinc/78/28/31/610782831.db2.gz MPZUTVYDOJGKBD-GFCCVEGCSA-N 0 0 331.424 0.992 10 0 ECAERN Cc1noc([C@H](C)N2CCN(C(=O)NCCc3ccnn3C)CC2)n1 ZINC000185003071 610966967 /nfs/dbraw/zinc/96/69/67/610966967.db2.gz OIWPQBYXPHRPJI-LBPRGKRZSA-N 0 0 347.423 0.742 10 0 ECAERN CC(C)N1C[C@@H](C)[C@@H](NC(=O)CS[C@H]2CCS(=O)(=O)C2)C1 ZINC000247374927 612910675 /nfs/dbraw/zinc/91/06/75/612910675.db2.gz PJYBBUZWOAUKJC-AGIUHOORSA-N 0 0 334.507 0.752 10 0 ECAERN C[C@H]1COCCN1C(=O)N[C@@H]1CCCN(c2nccn(C)c2=O)C1 ZINC000333268876 755312234 /nfs/dbraw/zinc/31/22/34/755312234.db2.gz GXNMUGIMDRMSCW-QWHCGFSZSA-N 0 0 335.408 0.179 10 0 ECAERN CCN(CCO)S(=O)(=O)c1cc(Br)cnc1NC ZINC000050662158 214065038 /nfs/dbraw/zinc/06/50/38/214065038.db2.gz UMVUTJFFQPNIEZ-UHFFFAOYSA-N 0 0 338.227 0.889 10 0 ECAERN Cc1cnn([C@H]2CCCN(S(=O)(=O)CCS(C)(=O)=O)C2)c1 ZINC000173139548 230882911 /nfs/dbraw/zinc/88/29/11/230882911.db2.gz UYOKRYXUOIDBKN-LBPRGKRZSA-N 0 0 335.451 0.203 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)CNC(=O)c2ccc(F)cc2)CC1 ZINC000171655481 529697808 /nfs/dbraw/zinc/69/78/08/529697808.db2.gz RAQUTUOQOKJXNZ-HNNXBMFYSA-N 0 0 337.395 0.471 10 0 ECAERN Cc1ccc(S(=O)(=O)[C@H](O)COCCOCCOCCO)cc1 ZINC000098090365 219083417 /nfs/dbraw/zinc/08/34/17/219083417.db2.gz LCPYCGXXFACDDQ-HNNXBMFYSA-N 0 0 348.417 0.129 10 0 ECAERN Cc1c(S(=O)(=O)N2CCc3ccccc3C2)c(=O)n(C)c(=O)n1C ZINC000004337762 210174259 /nfs/dbraw/zinc/17/42/59/210174259.db2.gz XVIUWCWHGAVGNA-UHFFFAOYSA-N 0 0 349.412 0.139 10 0 ECAERN CN(C[C@H](c1cccs1)N1CCOCC1)C(=O)Cn1cnnn1 ZINC000177966084 529962262 /nfs/dbraw/zinc/96/22/62/529962262.db2.gz SPLUXXITNWNYLT-GFCCVEGCSA-N 0 0 336.421 0.267 10 0 ECAERN O=C(NCCNC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1)c1ccn[nH]1 ZINC000181704876 234292085 /nfs/dbraw/zinc/29/20/85/234292085.db2.gz DZXHJYOGDPRKJD-MLGOLLRUSA-N 0 0 335.408 0.476 10 0 ECAERN O=C(NC[C@@]1(O)CCc2ccccc21)N[C@H]1CCc2ncnn2C1 ZINC000127685396 222871351 /nfs/dbraw/zinc/87/13/51/222871351.db2.gz WEADQAZYADQTRO-GUYCJALGSA-N 0 0 327.388 0.726 10 0 ECAERN COc1cccc(C(=O)NCC(=O)N[C@H]2CCc3ncnn3C2)c1 ZINC000183572118 235145560 /nfs/dbraw/zinc/14/55/60/235145560.db2.gz TYDGMNOLVJLZCD-LBPRGKRZSA-N 0 0 329.360 0.148 10 0 ECAERN C[C@H]1OCCC[C@H]1C(=O)NCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000187903480 236333805 /nfs/dbraw/zinc/33/38/05/236333805.db2.gz PUPGQICCNNVPIJ-MWLCHTKSSA-N 0 0 332.360 0.726 10 0 ECAERN NC(=O)[C@@H]1COCCN1C(=O)c1ccn(-c2cccc(Cl)c2)n1 ZINC000180272526 283328663 /nfs/dbraw/zinc/32/86/63/283328663.db2.gz LYIGWZJQBVTKIB-ZDUSSCGKSA-N 0 0 334.763 0.852 10 0 ECAERN O=C(NC1CN(C(=O)C(=O)N2CCc3c2cccc3Cl)C1)C1CC1 ZINC000187986233 236371278 /nfs/dbraw/zinc/37/12/78/236371278.db2.gz VONZSKDVEQJKJQ-UHFFFAOYSA-N 0 0 347.802 0.966 10 0 ECAERN Cc1ccc(Cn2nccc2NC(=O)C(=O)N2CCC[C@@H]2CO)o1 ZINC000189931316 237412292 /nfs/dbraw/zinc/41/22/92/237412292.db2.gz JIBPJBGWABLFJO-GFCCVEGCSA-N 0 0 332.360 0.755 10 0 ECAERN CCOC(=O)c1nnc2c(C(=O)OC)c(C)nn2c1/C=C/N(C)C ZINC000072417011 216206189 /nfs/dbraw/zinc/20/61/89/216206189.db2.gz RAFJSFOKEALPRU-BQYQJAHWSA-N 0 0 333.348 0.928 10 0 ECAERN C[C@@H](NC(=O)C(=O)NCC(=O)N(C)C)C12CC3CC(CC(C3)C1)C2 ZINC000124371763 296033923 /nfs/dbraw/zinc/03/39/23/296033923.db2.gz PAGWNSRYVOLXQF-HDPALTEOSA-N 0 0 335.448 0.912 10 0 ECAERN O=C([C@@H]1CC[C@@H](C(F)(F)F)NC1=O)N1CC[C@H](N2CCOCC2)C1 ZINC000172743987 296043999 /nfs/dbraw/zinc/04/39/99/296043999.db2.gz MOZAZNTYXWAIPW-TUAOUCFPSA-N 0 0 349.353 0.377 10 0 ECAERN O=C(c1ccc2c(c1)C(=O)NC2=O)N1CCC[C@H](Cn2cncn2)C1 ZINC000131982848 223289647 /nfs/dbraw/zinc/28/96/47/223289647.db2.gz XCFIGMIKPLVUEA-NSHDSACASA-N 0 0 339.355 0.714 10 0 ECAERN O=C([C@@H]1CC(c2cccnc2)=NO1)N1CCO[C@H](Cn2cccn2)C1 ZINC000191589099 239200833 /nfs/dbraw/zinc/20/08/33/239200833.db2.gz FVAZPDYKNGKMGK-HOCLYGCPSA-N 0 0 341.371 0.699 10 0 ECAERN CCc1onc(C)c1NC(=O)C(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000132171453 223307680 /nfs/dbraw/zinc/30/76/80/223307680.db2.gz AIULFYMJLPJMJC-GFCCVEGCSA-N 0 0 347.375 0.608 10 0 ECAERN CS(=O)(=O)c1csc(C(=O)N[C@H]2CCc3ncnn3C2)c1 ZINC000132217012 223310510 /nfs/dbraw/zinc/31/05/10/223310510.db2.gz UVTAZUMADZMGGP-QMMMGPOBSA-N 0 0 326.403 0.488 10 0 ECAERN C[C@@H]1CCNC(=O)[C@@H]1NC(=O)NCCN1CCc2ccccc2C1=O ZINC000193941614 240370810 /nfs/dbraw/zinc/37/08/10/240370810.db2.gz SEZULWHXAOAJOO-IUODEOHRSA-N 0 0 344.415 0.509 10 0 ECAERN Cc1ccc([C@@H](C)NS(=O)(=O)CCCS(=O)(=O)N(C)C)o1 ZINC000193799133 240313149 /nfs/dbraw/zinc/31/31/49/240313149.db2.gz SWPMWPYUXXDLFK-LLVKDONJSA-N 0 0 338.451 0.850 10 0 ECAERN Cc1ccccc1-n1cc(C(=O)NC[C@@H](O)CN2CCOCC2)cn1 ZINC000132658984 223352147 /nfs/dbraw/zinc/35/21/47/223352147.db2.gz SNBPIKJRGFBHCV-MRXNPFEDSA-N 0 0 344.415 0.604 10 0 ECAERN CCc1nnc(C[S@](=O)CCN2C(=O)c3ccccc3C2=O)n1C ZINC000194219442 240484965 /nfs/dbraw/zinc/48/49/65/240484965.db2.gz RRCAYGXINPGXGY-XMMPIXPASA-N 0 0 346.412 0.922 10 0 ECAERN Cc1ccc(F)c(OCC(=O)NC[C@@H](O)CN2CCOCC2)c1 ZINC000133022265 223382415 /nfs/dbraw/zinc/38/24/15/223382415.db2.gz QTCWHUIBCFKIMI-CYBMUJFWSA-N 0 0 326.368 0.322 10 0 ECAERN CC(C)CO[C@H](C)c1noc(CN(C)C(=O)[C@H]2COCCN2)n1 ZINC000236639570 242304873 /nfs/dbraw/zinc/30/48/73/242304873.db2.gz IXAHBRGZLDIHAU-VXGBXAGGSA-N 0 0 326.397 0.750 10 0 ECAERN C[C@@H](NC(N)=O)C(=O)N1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000097681622 296110537 /nfs/dbraw/zinc/11/05/37/296110537.db2.gz UYJCFMKBSHHSAH-LLVKDONJSA-N 0 0 336.367 0.557 10 0 ECAERN COc1cnc(N2CC(N3CCOCC3)C2)nc1-c1ccnn1C ZINC000020862933 212178999 /nfs/dbraw/zinc/17/89/99/212178999.db2.gz XEMLBWBODHKSFX-UHFFFAOYSA-N 0 0 330.392 0.407 10 0 ECAERN Cn1c(CCN2CCO[C@@H](C[N@H+](C)CC(=O)[O-])C2)nc2ccccc21 ZINC000262854581 245215912 /nfs/dbraw/zinc/21/59/12/245215912.db2.gz KMGLBJVHSLGRCD-AWEZNQCLSA-N 0 0 346.431 0.833 10 0 ECAERN COC(=O)[C@@H](C)NS(=O)(=O)c1ccc(N)cc1Br ZINC000049351850 214002963 /nfs/dbraw/zinc/00/29/63/214002963.db2.gz IZBMCBUAHVJWJZ-ZCFIWIBFSA-N 0 0 337.195 0.871 10 0 ECAERN O=C(Cn1nc2ccccn2c1=O)N1CCO[C@H](c2nccs2)C1 ZINC000110877101 220073951 /nfs/dbraw/zinc/07/39/51/220073951.db2.gz CZHBLUINONGPHA-NSHDSACASA-N 0 0 345.384 0.553 10 0 ECAERN Cc1noc([C@H](C)N2CCN(C(=O)C3=NN(C)C(=O)CC3)CC2)n1 ZINC000110897195 220076421 /nfs/dbraw/zinc/07/64/21/220076421.db2.gz UBPBBLHFIFGXBB-JTQLQIEISA-N 0 0 334.380 0.191 10 0 ECAERN Cc1cc(C)n(C[C@@H]2CN(S(=O)(=O)c3cnn(C)c3)CCO2)n1 ZINC000111345180 220142628 /nfs/dbraw/zinc/14/26/28/220142628.db2.gz GYYFOARAIBMENN-ZDUSSCGKSA-N 0 0 339.421 0.323 10 0 ECAERN O=C(CNC(=O)c1cccs1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111649741 220174570 /nfs/dbraw/zinc/17/45/70/220174570.db2.gz GHIVDYNJHFZTTA-GFCCVEGCSA-N 0 0 334.401 0.602 10 0 ECAERN Cc1cnn(C[C@@H]2CN(C(=O)NCCCn3cccn3)CCO2)c1 ZINC000112107972 220244208 /nfs/dbraw/zinc/24/42/08/220244208.db2.gz YLDAHDDKLMOKIA-HNNXBMFYSA-N 0 0 332.408 0.889 10 0 ECAERN C[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCC[NH2+]1)C(=O)[O-] ZINC000013542010 211574914 /nfs/dbraw/zinc/57/49/14/211574914.db2.gz ZUZINZIJHJFJRN-FPMFFAJLSA-N 0 0 333.388 0.055 10 0 ECAERN COc1cc2c(c3oc(=O)c4c(c13)CCOC4=O)[C@]1(O)C=CO[C@@H]1O2 ZINC000013308679 211543432 /nfs/dbraw/zinc/54/34/32/211543432.db2.gz QSHBSBLCKIPCKO-IAGOWNOFSA-N 0 0 344.275 0.965 10 0 endogenous,in-man ECAERN NC(=O)CN1CCC(C(=O)N[C@H](c2cccnc2)C(F)(F)F)CC1 ZINC000091551113 218021589 /nfs/dbraw/zinc/02/15/89/218021589.db2.gz YGCWKCRCZUEHMY-CYBMUJFWSA-N 0 0 344.337 0.999 10 0 ECAERN Cc1oc(-c2ccsc2)nc1CC(=O)N1CCOC[C@H]1C(N)=O ZINC000091780850 218065206 /nfs/dbraw/zinc/06/52/06/218065206.db2.gz VJOXPXYNKYAKBN-LBPRGKRZSA-N 0 0 335.385 0.967 10 0 ECAERN Cc1cc(Cl)ncc1NC(=O)NC[C@H](O)CN1CCOCC1 ZINC000092930103 218181466 /nfs/dbraw/zinc/18/14/66/218181466.db2.gz UJBFJPZKRIEFRK-NSHDSACASA-N 0 0 328.800 0.858 10 0 ECAERN NC(=O)[C@H]1Cn2ccnc2C2(CCN(C(=O)NC3CCCC3)CC2)O1 ZINC000096263089 218731210 /nfs/dbraw/zinc/73/12/10/218731210.db2.gz VGLBRDAFGBDOJD-CYBMUJFWSA-N 0 0 347.419 0.711 10 0 ECAERN O=c1[nH]c2ccc(S(=O)(=O)N[C@H](CO)c3ccccc3)cc2[nH]1 ZINC000158453424 207628684 /nfs/dbraw/zinc/62/86/84/207628684.db2.gz KWHFKYUNLXNZDH-CQSZACIVSA-N 0 0 333.369 0.868 10 0 ECAERN CO[C@H](C)c1noc(CN2CCN(c3ccc4nncn4n3)CC2)n1 ZINC000175187586 207667336 /nfs/dbraw/zinc/66/73/36/207667336.db2.gz MQHCMBFPRDUFCR-LLVKDONJSA-N 0 0 344.379 0.537 10 0 ECAERN O=c1[nH]c2ccc(S(=O)(=O)N[C@@H]3CCCn4ncnc43)cc2[nH]1 ZINC000097013369 218913696 /nfs/dbraw/zinc/91/36/96/218913696.db2.gz LDDQBWAAIDQCRA-SNVBAGLBSA-N 0 0 334.361 0.261 10 0 ECAERN O=C(N[C@@H]1CCc2ncnn2C1)c1cnc(-c2ncccn2)s1 ZINC000112648555 220362561 /nfs/dbraw/zinc/36/25/61/220362561.db2.gz BFMIPXDHSCOZQV-SECBINFHSA-N 0 0 327.373 0.936 10 0 ECAERN Cc1ccc(-c2nnn(CC(=O)N[C@@H]3CCc4ncnn4C3)n2)cc1 ZINC000112655669 220365505 /nfs/dbraw/zinc/36/55/05/220365505.db2.gz LOVFFPNRUXLNIX-CYBMUJFWSA-N 0 0 338.375 0.371 10 0 ECAERN COCCCOc1ccc(C(=O)N[C@@H]2CCc3ncnn3C2)cn1 ZINC000112662054 220367972 /nfs/dbraw/zinc/36/79/72/220367972.db2.gz OAHDEKZBHXDFBJ-CYBMUJFWSA-N 0 0 331.376 0.833 10 0 ECAERN CC(C)c1nc2c(n1C)CCN(C(=O)[C@@H](C)NS(C)(=O)=O)C2 ZINC000112725597 220388743 /nfs/dbraw/zinc/38/87/43/220388743.db2.gz WEVGBKMHJBCTOP-SNVBAGLBSA-N 0 0 328.438 0.366 10 0 ECAERN COC(=O)[C@@]1(C)CCCN1C(=O)Cc1c(C)nc2cc(=O)[nH]n2c1C ZINC000187624280 533122260 /nfs/dbraw/zinc/12/22/60/533122260.db2.gz WWVUHHYAZRDTRO-QGZVFWFLSA-N 0 0 346.387 0.736 10 0 ECAERN CC(C)(C)n1cc(CN2CCN(C(=O)CN3CCCC3=O)CC2)cn1 ZINC000113858566 220600895 /nfs/dbraw/zinc/60/08/95/220600895.db2.gz OUKQXLQHIOJRRN-UHFFFAOYSA-N 0 0 347.463 0.905 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)c1cccc(OCC(N)=O)c1)CC2 ZINC000114869905 220771020 /nfs/dbraw/zinc/77/10/20/220771020.db2.gz WHIDBWZTQJLTIC-GFCCVEGCSA-N 0 0 343.387 0.449 10 0 ECAERN CCOCCN1CCN(c2ncc(S(N)(=O)=O)s2)C[C@H]1CC ZINC000116871212 221001848 /nfs/dbraw/zinc/00/18/48/221001848.db2.gz JIXOMMWYPVMARK-LLVKDONJSA-N 0 0 348.494 0.728 10 0 ECAERN CCOCCN1CCN(C(=O)CNC(=O)c2ccccc2)C[C@H]1C ZINC000117275504 221041074 /nfs/dbraw/zinc/04/10/74/221041074.db2.gz NFRKKTOAHYKIJO-OAHLLOKOSA-N 0 0 333.432 0.986 10 0 ECAERN COCCN1CCN(C(=O)CNC(=O)NCc2ccco2)C[C@H]1C ZINC000117290800 221045519 /nfs/dbraw/zinc/04/55/19/221045519.db2.gz IFVIDQIMNUZDEL-CYBMUJFWSA-N 0 0 338.408 0.258 10 0 ECAERN CN1CCO[C@@H](CNC(=O)C(=O)Nc2ccc(-n3cccn3)cc2)C1 ZINC000118115679 221121317 /nfs/dbraw/zinc/12/13/17/221121317.db2.gz VFBYBOSMHIVGCS-HNNXBMFYSA-N 0 0 343.387 0.258 10 0 ECAERN C[C@@H](NC(=O)c1ccoc1)C(=O)N[C@@H]1CCCN(c2cccnn2)C1 ZINC000118668600 221166650 /nfs/dbraw/zinc/16/66/50/221166650.db2.gz QAXIBSQAHSRFEK-TZMCWYRMSA-N 0 0 343.387 0.973 10 0 ECAERN Cc1ccc([C@@H](C)NC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)o1 ZINC000119440668 221321277 /nfs/dbraw/zinc/32/12/77/221321277.db2.gz UXOKBJSFYMJPPN-GFCCVEGCSA-N 0 0 347.379 0.190 10 0 ECAERN Cn1cccc1C(=O)NC[C@H]1CCC2(CN(S(C)(=O)=O)C2)OC1 ZINC000248155351 257661861 /nfs/dbraw/zinc/66/18/61/257661861.db2.gz VLMDPOXXKRKVAM-GFCCVEGCSA-N 0 0 341.433 0.196 10 0 ECAERN CN(C)C(=O)CN1CCO[C@@H]2CN(C(=O)Cc3ccc(F)cc3)C[C@@H]21 ZINC000248042151 257667360 /nfs/dbraw/zinc/66/73/60/257667360.db2.gz VUHUIUVQAUDLOA-JKSUJKDBSA-N 0 0 349.406 0.368 10 0 ECAERN Cc1ccc(N2CCO[C@@H]3CN(C(=O)c4cnccn4)C[C@@H]32)nn1 ZINC000247943886 257673183 /nfs/dbraw/zinc/67/31/83/257673183.db2.gz VVHYKIZVQFFKQB-UONOGXRCSA-N 0 0 326.360 0.305 10 0 ECAERN COc1cc(N2C[C@@H]3OCC[C@@H]3[C@H](C(=O)N3CCCC3)C2)ncn1 ZINC000247868397 257676256 /nfs/dbraw/zinc/67/62/56/257676256.db2.gz CCKUZKKUBLTKSQ-MCIONIFRSA-N 0 0 332.404 0.949 10 0 ECAERN COCC(=O)NC[C@@H]1CCC[C@@]2(CCN(c3ncc(F)cn3)C2)O1 ZINC000247831785 257678060 /nfs/dbraw/zinc/67/80/60/257678060.db2.gz LMAGNQQRICPEOT-BBRMVZONSA-N 0 0 338.383 0.896 10 0 ECAERN CS(=O)(=O)NC[C@@]12COC[C@@H]1CN(C(=O)C1CCSCC1)C2 ZINC000247515949 257681507 /nfs/dbraw/zinc/68/15/07/257681507.db2.gz JVJOHFLROXHRIW-GXTWGEPZSA-N 0 0 348.490 0.154 10 0 ECAERN CCN(CC)C(=O)CN1C(=O)N[C@H](Cc2cn(C(C)C)nn2)C1=O ZINC000328612596 258038093 /nfs/dbraw/zinc/03/80/93/258038093.db2.gz PJDHXICYNTYKOC-GFCCVEGCSA-N 0 0 336.396 0.395 10 0 ECAERN CCNC(=O)NC1(C(=O)N2CCN(C[C@H](O)CC)CC2)CCCC1 ZINC000106396138 285559076 /nfs/dbraw/zinc/55/90/76/285559076.db2.gz ZJRRAFRQUUCUJW-CQSZACIVSA-N 0 0 340.468 0.533 10 0 ECAERN CCOCCN1CCN(C(=O)CNC(=O)c2cccnc2)C[C@@H]1C ZINC000152471223 164743622 /nfs/dbraw/zinc/74/36/22/164743622.db2.gz HCZPZPGOEYNLES-AWEZNQCLSA-N 0 0 334.420 0.381 10 0 ECAERN Cn1nnc2cc(C(=O)N3CCN(Cc4ccon4)CC3)ccc21 ZINC000172796397 164849363 /nfs/dbraw/zinc/84/93/63/164849363.db2.gz RXSJVIYOWCHZTN-UHFFFAOYSA-N 0 0 326.360 0.914 10 0 ECAERN CC(C)c1nnnn1CC(=O)N(C)[C@H]1CCCN(c2cccnn2)C1 ZINC000173443545 164856200 /nfs/dbraw/zinc/85/62/00/164856200.db2.gz IBCPYMIRCIXCPE-ZDUSSCGKSA-N 0 0 344.423 0.714 10 0 ECAERN C[C@H](NC(=O)CNC1(c2noc(C3CC3)n2)CCCC1)C(=O)N(C)C ZINC000173711138 164860192 /nfs/dbraw/zinc/86/01/92/164860192.db2.gz CNBDPWYCMNYYCN-NSHDSACASA-N 0 0 349.435 0.899 10 0 ECAERN Cn1nccc1C1CCN(C(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)CC1 ZINC000178261097 164914186 /nfs/dbraw/zinc/91/41/86/164914186.db2.gz FGHAHGPAGIKNKJ-ZDUSSCGKSA-N 0 0 342.403 0.902 10 0 ECAERN O=C(NC[C@@H]1COC2(CCCCC2)O1)N[C@@H]1CCc2ncnn2C1 ZINC000180619642 164937494 /nfs/dbraw/zinc/93/74/94/164937494.db2.gz WGVMLCTWKSKYAG-CHWSQXEVSA-N 0 0 335.408 0.968 10 0 ECAERN NC(=O)[C@@H]1COCCN1S(=O)(=O)Cc1cc(Cl)ccc1F ZINC000183359258 164955300 /nfs/dbraw/zinc/95/53/00/164955300.db2.gz OSDBLLKLYUHSCL-NSHDSACASA-N 0 0 336.772 0.495 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)N1CCC[C@]13CCOC3=O)CC2 ZINC000187115324 164988058 /nfs/dbraw/zinc/98/80/58/164988058.db2.gz VZVSXOASCRDDFV-MEDUHNTESA-N 0 0 333.392 0.646 10 0 ECAERN C[C@@H](NC(=O)N1CC(NC(=O)C2CCC2)C1)c1nnc2n1CCCC2 ZINC000188899230 165003316 /nfs/dbraw/zinc/00/33/16/165003316.db2.gz PZMXWVOOGJTFLI-LLVKDONJSA-N 0 0 346.435 0.986 10 0 ECAERN C[C@@H]1C(=O)NCCCN1C(=O)Cn1cc(Br)ccc1=O ZINC000188938398 165004126 /nfs/dbraw/zinc/00/41/26/165004126.db2.gz JVINVNAVHCUQKB-SECBINFHSA-N 0 0 342.193 0.348 10 0 ECAERN C[C@H](CC(=O)N1CCN(c2cnccn2)CC1)N1CCCCC1=O ZINC000189037971 165005639 /nfs/dbraw/zinc/00/56/39/165005639.db2.gz YXOQNZWGMRGKHQ-CQSZACIVSA-N 0 0 331.420 0.916 10 0 ECAERN CCn1cc([C@H]2CN(CC(=O)NC(=O)NCC(C)C)CCO2)cn1 ZINC000190726471 165023905 /nfs/dbraw/zinc/02/39/05/165023905.db2.gz QOOZRJQJYLZHHJ-CQSZACIVSA-N 0 0 337.424 0.758 10 0 ECAERN COCCN1CCCN(C[C@@H](O)COCc2ccccc2)CC1=O ZINC000190789508 165025396 /nfs/dbraw/zinc/02/53/96/165025396.db2.gz XSEWFKOLGSZKTD-QGZVFWFLSA-N 0 0 336.432 0.745 10 0 ECAERN C[C@@H]1C(=O)NCCCN1S(=O)(=O)c1cnn(-c2ccccc2)c1 ZINC000190991395 165026679 /nfs/dbraw/zinc/02/66/79/165026679.db2.gz KRIMOVVONOUEIP-GFCCVEGCSA-N 0 0 334.401 0.771 10 0 ECAERN C[C@H]1CN(Cc2nnnn2CC(F)(F)F)C[C@@H]1N1CCOCC1 ZINC000190929675 165027453 /nfs/dbraw/zinc/02/74/53/165027453.db2.gz ZMEIKMICNWEKLF-QWRGUYRKSA-N 0 0 334.346 0.388 10 0 ECAERN C[C@H]1C(=O)NCCCN1C(=O)NC1CCN(c2ccccn2)CC1 ZINC000191252510 165030707 /nfs/dbraw/zinc/03/07/07/165030707.db2.gz INYFYDVCZYGEKC-ZDUSSCGKSA-N 0 0 331.420 0.970 10 0 ECAERN CC(=O)NC1CN(C(=O)C(=O)Nc2ccccc2-n2ccc(C)n2)C1 ZINC000191346025 165030917 /nfs/dbraw/zinc/03/09/17/165030917.db2.gz SSCDWUSNTFDFJR-UHFFFAOYSA-N 0 0 341.371 0.466 10 0 ECAERN C[C@H]1C(=O)NCCCN1C(=O)N[C@H]1CCN(c2ncccc2F)C1 ZINC000191465208 165033037 /nfs/dbraw/zinc/03/30/37/165033037.db2.gz LEOKTGAJEOOUPB-RYUDHWBXSA-N 0 0 335.383 0.719 10 0 ECAERN C[C@H]1C(=O)NCCCN1C(=O)NCC[S@](=O)Cc1ccccc1 ZINC000191402625 165033257 /nfs/dbraw/zinc/03/32/57/165033257.db2.gz MFDRIHZHPYHBMH-NPMABZOXSA-N 0 0 337.445 0.855 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)[C@H]1CC(c3cccnc3)=NO1)CC2 ZINC000191834465 165036714 /nfs/dbraw/zinc/03/67/14/165036714.db2.gz AZDZSFQVMUCSCB-TZMCWYRMSA-N 0 0 340.387 0.860 10 0 ECAERN CCc1nc2ccccc2n1CC(=O)NC[C@H](O)CN1CCOCC1 ZINC000192710114 165047296 /nfs/dbraw/zinc/04/72/96/165047296.db2.gz ZQZNXTXBWPBCSE-AWEZNQCLSA-N 0 0 346.431 0.408 10 0 ECAERN O=C(NC1CCN(C(=O)Nc2ccccc2)CC1)[C@@H]1CNC(=O)C1 ZINC000194863011 165072219 /nfs/dbraw/zinc/07/22/19/165072219.db2.gz DHIOEDWFAURYFO-LBPRGKRZSA-N 0 0 330.388 0.935 10 0 ECAERN O=C(CN1CCN(C(=O)N[C@@H]2COc3ccccc32)CC1)NC1CC1 ZINC000195199249 165077321 /nfs/dbraw/zinc/07/73/21/165077321.db2.gz KREONDVSLUXYLH-OAHLLOKOSA-N 0 0 344.415 0.726 10 0 ECAERN CC(C)c1nnc2n1C[C@H](NC(=O)c1ccc(C(N)=O)cn1)CC2 ZINC000195293331 165079804 /nfs/dbraw/zinc/07/98/04/165079804.db2.gz IBKNEBFTJWTSAM-LLVKDONJSA-N 0 0 328.376 0.640 10 0 ECAERN CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(CS(N)(=O)=O)cc2)C1 ZINC000195447473 165082030 /nfs/dbraw/zinc/08/20/30/165082030.db2.gz LABIDPRCQRXTKN-CQSZACIVSA-N 0 0 325.434 0.689 10 0 ECAERN Cn1nccc1C1CCN(CC(=O)NCCCN2CCCC2=O)CC1 ZINC000195502653 165083828 /nfs/dbraw/zinc/08/38/28/165083828.db2.gz RYZRANWPZWPUTF-UHFFFAOYSA-N 0 0 347.463 0.728 10 0 ECAERN C[C@H](O)CN1CCN(C(=O)C2CCN(c3cnccn3)CC2)C[C@@H]1C ZINC000245410128 165105181 /nfs/dbraw/zinc/10/51/81/165105181.db2.gz PNNVZCNRWSPUKF-GJZGRUSLSA-N 0 0 347.463 0.607 10 0 ECAERN CNC(=O)NCC(=O)NC[C@H](c1cccs1)N1CCO[C@H](C)C1 ZINC000245838116 165116840 /nfs/dbraw/zinc/11/68/40/165116840.db2.gz HLIDQBWVNQZPPN-VXGBXAGGSA-N 0 0 340.449 0.555 10 0 ECAERN OC[C@H]1CCCN1c1cc(N2CCC[C@@H](n3cncn3)C2)ncn1 ZINC000246829195 165144710 /nfs/dbraw/zinc/14/47/10/165144710.db2.gz CSBHEKJRNLJNDP-ZIAGYGMSSA-N 0 0 329.408 0.871 10 0 ECAERN CN(CCCNC(=O)CN1CCC[C@H]1c1ccco1)S(C)(=O)=O ZINC000246963032 165147346 /nfs/dbraw/zinc/14/73/46/165147346.db2.gz JXBOXMBPYOXOCR-ZDUSSCGKSA-N 0 0 343.449 0.814 10 0 ECAERN COCCn1cc(NC(=O)N2CCN(C[C@H](C)O)[C@H](C)C2)cn1 ZINC000247214545 165155772 /nfs/dbraw/zinc/15/57/72/165155772.db2.gz CNKRSWBSRAEAER-OLZOCXBDSA-N 0 0 325.413 0.448 10 0 ECAERN O=C(NCc1ccco1)[C@@H]1CCCN1C[C@@H](O)CN1CCCC1=O ZINC000247478101 165163304 /nfs/dbraw/zinc/16/33/04/165163304.db2.gz SJZONDNIKQZHFF-HIFRSBDPSA-N 0 0 335.404 0.344 10 0 ECAERN O=C(c1cc(N2CCNC(=O)C2)ccn1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000248710248 165183335 /nfs/dbraw/zinc/18/33/35/165183335.db2.gz PVAJPKXEEUNPMB-HZPDHXFCSA-N 0 0 344.415 0.801 10 0 ECAERN CNc1cc(N2CCC[C@@H]2CNC(=O)NC[C@H]2CC[C@H](O)C2)ncn1 ZINC000248869469 165188905 /nfs/dbraw/zinc/18/89/05/165188905.db2.gz CQUGAKJJMUJJGY-MJBXVCDLSA-N 0 0 348.451 0.947 10 0 ECAERN NCc1nc(CN2CCN(C(=O)c3ccc(F)c(F)c3)CC2)no1 ZINC000262206704 165308498 /nfs/dbraw/zinc/30/84/98/165308498.db2.gz LCPKVAQLIYBFAG-UHFFFAOYSA-N 0 0 337.330 0.765 10 0 ECAERN COC[C@H]([NH3+])C(=O)NCc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000262223301 165312361 /nfs/dbraw/zinc/31/23/61/165312361.db2.gz FVPUJDJUKJPGLG-ZQIUZPCESA-N 0 0 335.448 0.886 10 0 ECAERN Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)[C@H]3NCCO[C@@H]3C)C2)nc1 ZINC000262351537 165334568 /nfs/dbraw/zinc/33/45/68/165334568.db2.gz UMKFAOQGBRUOOL-YCPHGPKFSA-N 0 0 346.431 0.944 10 0 ECAERN Cc1ccc(N)cc1C(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000262428974 165348348 /nfs/dbraw/zinc/34/83/48/165348348.db2.gz WGEJPRTWMUMPQI-UHFFFAOYSA-N 0 0 340.431 0.919 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)c2ccnc(-n3cncn3)c2)C1 ZINC000262710367 165377079 /nfs/dbraw/zinc/37/70/79/165377079.db2.gz LLZVKZWHLLEQLU-UHFFFAOYSA-N 0 0 344.375 0.330 10 0 ECAERN O=C([C@@H]1CC(F)(F)CN1)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000262727611 165378000 /nfs/dbraw/zinc/37/80/00/165378000.db2.gz BFKYCPSECMQVSH-NEPJUHHUSA-N 0 0 331.363 0.081 10 0 ECAERN C[N@@H+](CC(=O)[O-])C[C@@H]1CN(C(=O)c2n[nH]c3ccccc32)CCO1 ZINC000262899989 165398428 /nfs/dbraw/zinc/39/84/28/165398428.db2.gz IAFLKILHQUGKJI-LLVKDONJSA-N 0 0 332.360 0.420 10 0 ECAERN CNS(=O)(=O)c1ccc(NCCC(=O)NC2CCCC2)nc1 ZINC000301238449 296883998 /nfs/dbraw/zinc/88/39/98/296883998.db2.gz LHKZIGAUOWOICR-UHFFFAOYSA-N 0 0 326.422 0.851 10 0 ECAERN NS(=O)(=O)c1cnc(NC[C@@H](CO)Cc2ccccn2)s1 ZINC000301526971 296888112 /nfs/dbraw/zinc/88/81/12/296888112.db2.gz GJVRIGFTMQXJKP-VIFPVBQESA-N 0 0 328.419 0.449 10 0 ECAERN O=C(NC[C@@H](O)CN1CCOCC1)[C@H](O)c1ccccc1Cl ZINC000158936030 225111859 /nfs/dbraw/zinc/11/18/59/225111859.db2.gz UGEQEAJGMANPMV-BXUZGUMPSA-N 0 0 328.796 0.183 10 0 ECAERN Cn1cc([C@@H]2CCCN2C(=O)CCN2CCCS2(=O)=O)cn1 ZINC000171349306 227032900 /nfs/dbraw/zinc/03/29/00/227032900.db2.gz NSMHGJUVEHYSMF-ZDUSSCGKSA-N 0 0 326.422 0.509 10 0 ECAERN C[C@@H]1CN(S(=O)(=O)N2CCC(c3cc[nH]n3)CC2)C[C@H](C)O1 ZINC000122480528 222096609 /nfs/dbraw/zinc/09/66/09/222096609.db2.gz XPDOEGJWWMPLEF-TXEJJXNPSA-N 0 0 328.438 0.943 10 0 ECAERN CN1C(=O)C[C@@H](C(=O)NCCNC(=O)C2CC2)[C@@H]1c1ccc(F)cc1 ZINC000123485127 222286239 /nfs/dbraw/zinc/28/62/39/222286239.db2.gz QTPKSKXBZHFGGC-ZBFHGGJFSA-N 0 0 347.390 0.988 10 0 ECAERN C[C@@H](CNC(=O)N1CCCN(C(=O)C2CC2)CC1)N1CCOCC1 ZINC000124038039 222367075 /nfs/dbraw/zinc/36/70/75/222367075.db2.gz UVXWAYUYIXSJHL-AWEZNQCLSA-N 0 0 338.452 0.361 10 0 ECAERN O=C(CN1CCC[C@@H](n2cncn2)C1)NC(=O)NCc1ccccc1 ZINC000171705018 227232525 /nfs/dbraw/zinc/23/25/25/227232525.db2.gz PBPNYGSFBVTSGV-OAHLLOKOSA-N 0 0 342.403 0.941 10 0 ECAERN Cc1cnn(C[C@H]2CN(C(=O)NCCCC(=O)NC3CC3)CCO2)c1 ZINC000171840494 227311943 /nfs/dbraw/zinc/31/19/43/227311943.db2.gz OTNXMWLIONNBKG-OAHLLOKOSA-N 0 0 349.435 0.661 10 0 ECAERN CCn1cnnc1[C@H]1CCCN(C(=O)CNC(=O)c2ccccn2)C1 ZINC000172543732 227754162 /nfs/dbraw/zinc/75/41/62/227754162.db2.gz NXWCCZHHSFBSGV-ZDUSSCGKSA-N 0 0 342.403 0.829 10 0 ECAERN CCOCCN1CCN(S(=O)(=O)CC[C@H]2CCCO2)C[C@@H]1C ZINC000245995297 545938043 /nfs/dbraw/zinc/93/80/43/545938043.db2.gz HHNSOPVUODZKMO-LSDHHAIUSA-N 0 0 334.482 0.928 10 0 ECAERN CCc1nnc([C@H]2CN(C(=O)[C@@H](C)NC(=O)c3ccoc3)CCO2)[nH]1 ZINC000173581310 263148596 /nfs/dbraw/zinc/14/85/96/263148596.db2.gz RNCJFDHKVNVPBA-ZYHUDNBSSA-N 0 0 347.375 0.679 10 0 ECAERN CC(C)n1cc([C@@]2(O)CCN(c3nnnn3-c3ccccc3)C2)nn1 ZINC000284515771 264223404 /nfs/dbraw/zinc/22/34/04/264223404.db2.gz LJYFMZLTQIWWFB-MRXNPFEDSA-N 0 0 340.391 0.933 10 0 ECAERN NC(=O)[C@@]1(O)CCCN(C(=O)c2cc(Br)ccc2O)C1 ZINC000285657088 264329966 /nfs/dbraw/zinc/32/99/66/264329966.db2.gz UTVGIILEVUWPKM-CYBMUJFWSA-N 0 0 343.177 0.607 10 0 ECAERN C=CC(=O)NCCNC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 ZINC000179363877 277818704 /nfs/dbraw/zinc/81/87/04/277818704.db2.gz VOEAUAQYESUHML-CZUORRHYSA-N 0 0 333.363 0.764 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)C(=O)Nc2ccc(C)cc2F)CC1 ZINC000189454445 437599656 /nfs/dbraw/zinc/59/96/56/437599656.db2.gz URMDJJBCRZWZJF-ZDUSSCGKSA-N 0 0 337.395 0.988 10 0 ECAERN C[C@@H]1CN(C(=O)c2ccc(Br)cn2)C[C@@H](C(N)=O)O1 ZINC000157434474 288026812 /nfs/dbraw/zinc/02/68/12/288026812.db2.gz WQGQCJXJJRKKPT-XCBNKYQSSA-N 0 0 328.166 0.559 10 0 ECAERN C[C@@H](O)CN1CCN(C(=O)Cn2cnc(-c3ccccc3)n2)C[C@H]1C ZINC000120253983 278397354 /nfs/dbraw/zinc/39/73/54/278397354.db2.gz MLRQNCNUMFYIQQ-HUUCEWRRSA-N 0 0 343.431 0.859 10 0 ECAERN CCC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1)C(=O)[O-] ZINC000262298996 278945352 /nfs/dbraw/zinc/94/53/52/278945352.db2.gz PSAXQLKUDWLNDI-CABZTGNLSA-N 0 0 343.405 0.504 10 0 ECAERN CCN1CCC[C@@H](NS(=O)(=O)c2ccc3c(c2)C(=O)NCC3)C1 ZINC000116330902 279295350 /nfs/dbraw/zinc/29/53/50/279295350.db2.gz VDYHARIFODJCDD-CYBMUJFWSA-N 0 0 337.445 0.735 10 0 ECAERN Cc1c(NC(=O)C(=O)N[C@@H]2CCc3ncnn3C2)cccc1N(C)C ZINC000180682197 280241287 /nfs/dbraw/zinc/24/12/87/280241287.db2.gz IUCLLNVNWRZPPQ-GFCCVEGCSA-N 0 0 342.403 0.722 10 0 ECAERN O=C(NCCNC(=O)N1C[C@@H](c2ccsc2)[C@H](CO)C1)C1CC1 ZINC000189982996 437612890 /nfs/dbraw/zinc/61/28/90/437612890.db2.gz JVFLGNILJWTFRQ-KBPBESRZSA-N 0 0 337.445 0.992 10 0 ECAERN Cc1ccn2c(c1)ncc(C(=O)N1CC[C@H](N3CCOCC3)C1)c2=O ZINC000172763397 292744302 /nfs/dbraw/zinc/74/43/02/292744302.db2.gz NAOXJSJSUPZQNO-AWEZNQCLSA-N 0 0 342.399 0.550 10 0 ECAERN NC(=O)[C@@H]1COCCN1C(=O)c1ccc(Br)cc1O ZINC000091810308 295120420 /nfs/dbraw/zinc/12/04/20/295120420.db2.gz JDHOQDQEHAEWTB-VIFPVBQESA-N 0 0 329.150 0.481 10 0 ECAERN Cc1nc2c(nccc2C(=O)N[C@@H](C(=O)N2CCOCC2)C(C)C)[nH]1 ZINC000333338030 297126323 /nfs/dbraw/zinc/12/63/23/297126323.db2.gz ZOUVGMNLAFDFBG-CYBMUJFWSA-N 0 0 345.403 0.880 10 0 ECAERN Cn1nnc(CN2CCC[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)n1 ZINC000333364404 297128168 /nfs/dbraw/zinc/12/81/68/297128168.db2.gz XXUSHFYCNIKFEJ-HIFRSBDPSA-N 0 0 340.387 0.360 10 0 ECAERN Cc1noc([C@@H]2CC[C@H](CNS(=O)(=O)[C@@H]3CCO[C@@H]3C)O2)n1 ZINC000333564427 297141961 /nfs/dbraw/zinc/14/19/61/297141961.db2.gz SAHOTYZFEIGDJU-KXGXSXBTSA-N 0 0 331.394 0.695 10 0 ECAERN CCCc1nnc([C@H]2CN(C(=O)C3(O)CCSCC3)CCO2)[nH]1 ZINC000362701594 300211221 /nfs/dbraw/zinc/21/12/21/300211221.db2.gz HZPFVCDZVVRVHW-LLVKDONJSA-N 0 0 340.449 0.915 10 0 ECAERN NC(=O)[C@@H]1CC[C@H](CNC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)O1 ZINC000362801653 300222466 /nfs/dbraw/zinc/22/24/66/300222466.db2.gz HCAARZORXAUPNP-RSUWNVLCSA-N 0 0 325.409 0.356 10 0 ECAERN C[C@@H]1OCC[C@@]1(O)CNS(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C ZINC000365582396 300462119 /nfs/dbraw/zinc/46/21/19/300462119.db2.gz KMGIWALZLZIFOY-GVAFMPQTSA-N 0 0 345.461 0.841 10 0 ECAERN CCNc1nc(Oc2ccc(=O)n(C)n2)nc(N2CCOCC2)n1 ZINC000001443799 435958756 /nfs/dbraw/zinc/95/87/56/435958756.db2.gz IQNSWJPNYUHISR-UHFFFAOYSA-N 0 0 333.352 0.026 10 0 ECAERN COC(=O)c1sc(=S)n(-c2ccc(S(N)(=O)=O)cc2)c1N ZINC000005320233 435986543 /nfs/dbraw/zinc/98/65/43/435986543.db2.gz KHVINIOMZYCXLQ-QMMMGPOBSA-N 0 0 345.427 0.691 10 0 ECAERN COC(=O)[C@@H]1Cc2ncn(Cc3ccccc3)c2CN1S(C)(=O)=O ZINC000012530236 436052230 /nfs/dbraw/zinc/05/22/30/436052230.db2.gz XHTLRYJDPQTQRM-AWEZNQCLSA-N 0 0 349.412 0.791 10 0 ECAERN Cc1cc(C)n(Cc2c(C)onc2C(=O)NCCN2CCOCC2)n1 ZINC000015736193 436084447 /nfs/dbraw/zinc/08/44/47/436084447.db2.gz NLOZWZQYUBOSPQ-UHFFFAOYSA-N 0 0 347.419 0.907 10 0 ECAERN CN1CCO[C@@H](CNC(=O)CCN2C(=O)c3ccccc3C2=O)C1 ZINC000074773314 436139866 /nfs/dbraw/zinc/13/98/66/436139866.db2.gz JTJMXBMKJGABEW-LBPRGKRZSA-N 0 0 331.372 0.120 10 0 ECAERN CNC(=O)CNC(=O)[C@@H](NC(=O)c1ccc(Cl)cc1)C(C)C ZINC000025201535 436145404 /nfs/dbraw/zinc/14/54/04/436145404.db2.gz ZAYUVTMDWRUEEQ-ZDUSSCGKSA-N 0 0 325.796 0.957 10 0 ECAERN CCCCC(=O)N1CSC[C@@H]1C(=O)N1CCCNC(=O)[C@H]1C ZINC000373695916 301077022 /nfs/dbraw/zinc/07/70/22/301077022.db2.gz KAOICMKBFUJSDO-VXGBXAGGSA-N 0 0 327.450 0.815 10 0 ECAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N(C)CCCc1nc2ccccc2[nH]1 ZINC000376414094 301260225 /nfs/dbraw/zinc/26/02/25/301260225.db2.gz YAVVBOKTSRRLBI-CZUORRHYSA-N 0 0 344.415 0.936 10 0 ECAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCc1cccc(Cn2cccn2)c1 ZINC000377023186 301313458 /nfs/dbraw/zinc/31/34/58/301313458.db2.gz NHBUXBFLXNNTDZ-IAGOWNOFSA-N 0 0 342.399 0.529 10 0 ECAERN C[C@@H](CNC(=O)Nc1cc(-n2cnnn2)ccc1F)N1CCOCC1 ZINC000076516502 436208900 /nfs/dbraw/zinc/20/89/00/436208900.db2.gz MLAJPCYURMYSEH-NSHDSACASA-N 0 0 349.370 0.644 10 0 ECAERN CNC(=O)c1cccc(CCNC(=O)N2CCC[C@H](NC(C)=O)C2)c1 ZINC000077586019 436243014 /nfs/dbraw/zinc/24/30/14/436243014.db2.gz BJZNXHTWRCKVJL-INIZCTEOSA-N 0 0 346.431 0.899 10 0 ECAERN C[C@H](CNC(=O)CCc1nc(-c2ccccn2)no1)N1CCOCC1 ZINC000030682927 436220023 /nfs/dbraw/zinc/22/00/23/436220023.db2.gz JUQGLBHOEYHLOX-CYBMUJFWSA-N 0 0 345.403 0.901 10 0 ECAERN C[C@H](NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1)[C@@H]1CCCO1 ZINC000035216569 436254687 /nfs/dbraw/zinc/25/46/87/436254687.db2.gz YZBKAIRNYXPIBY-CABZTGNLSA-N 0 0 334.419 0.180 10 0 ECAERN CC(=O)N[C@@H]1CCCN(C(=O)NCC(=O)N(C)Cc2ccccc2)C1 ZINC000079646845 436302641 /nfs/dbraw/zinc/30/26/41/436302641.db2.gz FBFDWQRJUNIUKV-MRXNPFEDSA-N 0 0 346.431 0.955 10 0 ECAERN CCc1ccc([C@@H](C)NC(=O)C(=O)Nc2cnn(CC(N)=O)c2)cc1 ZINC000080142904 436312457 /nfs/dbraw/zinc/31/24/57/436312457.db2.gz QDYFALGTZRDOSV-LLVKDONJSA-N 0 0 343.387 0.747 10 0 ECAERN Cc1nnc(CN2CCN(Cc3ccc(C(N)=O)cc3)CC2)n1C ZINC000052821629 436518094 /nfs/dbraw/zinc/51/80/94/436518094.db2.gz VIKDEMDBKPRJOT-UHFFFAOYSA-N 0 0 328.420 0.540 10 0 ECAERN O[C@H](Cn1cnc2c1ncnc2N1CCCC1)CN1CCOCC1 ZINC000092857409 436477946 /nfs/dbraw/zinc/47/79/46/436477946.db2.gz LJRMAFXABDFZOW-ZDUSSCGKSA-N 0 0 332.408 0.120 10 0 ECAERN Cn1cc([C@H]2CN(S(=O)(=O)CC[C@@H]3CCCO3)CCO2)cn1 ZINC000097015061 436536785 /nfs/dbraw/zinc/53/67/85/436536785.db2.gz QGWOTOVHXIYMSZ-UONOGXRCSA-N 0 0 329.422 0.692 10 0 ECAERN Cc1nccn1-c1ccc(CNC(=O)NC[C@H]2CN(C)CCO2)cn1 ZINC000104788295 436562252 /nfs/dbraw/zinc/56/22/52/436562252.db2.gz GREWFLUDVRGGHD-HNNXBMFYSA-N 0 0 344.419 0.706 10 0 ECAERN COc1ccccc1CNC(=O)CN1CCO[C@H](Cn2cccn2)C1 ZINC000105888627 436584323 /nfs/dbraw/zinc/58/43/23/436584323.db2.gz UVUQPRSZJDVVIW-INIZCTEOSA-N 0 0 344.415 0.909 10 0 ECAERN COc1ccc(CNC(=O)CN2CCO[C@@H](Cn3cccn3)C2)cc1 ZINC000105888985 436585469 /nfs/dbraw/zinc/58/54/69/436585469.db2.gz JFHWHAHUSUGLRV-QGZVFWFLSA-N 0 0 344.415 0.909 10 0 ECAERN COC(=O)NCCC(=O)N1CCN(Cc2cnc(C)s2)CC1 ZINC000110943222 436628941 /nfs/dbraw/zinc/62/89/41/436628941.db2.gz PJUALIFMAPGQBO-UHFFFAOYSA-N 0 0 326.422 0.842 10 0 ECAERN CCN1CCN(CC(=O)N2CCCC[C@@H]2c2cn[nH]c2)C(=O)C1=O ZINC000113885725 436638312 /nfs/dbraw/zinc/63/83/12/436638312.db2.gz DUZJJOBAJQCPOA-CYBMUJFWSA-N 0 0 333.392 0.154 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)c1ccccc1OCC(N)=O)CC2 ZINC000114868768 436644882 /nfs/dbraw/zinc/64/48/82/436644882.db2.gz KIKVYPOICUJRIR-LLVKDONJSA-N 0 0 343.387 0.449 10 0 ECAERN CCOCCN1CCN(C(=O)C[C@@H]2CCS(=O)(=O)C2)C[C@@H]1CC ZINC000116770951 436650898 /nfs/dbraw/zinc/65/08/98/436650898.db2.gz VTOZSRTZZJCVOQ-GJZGRUSLSA-N 0 0 346.493 0.771 10 0 ECAERN CCn1ncc(CN(C)C(=O)C[C@H]2C(=O)NCCN2C(C)C)c1C ZINC000065423268 436659907 /nfs/dbraw/zinc/65/99/07/436659907.db2.gz JKRFDZQCJXEWIF-HNNXBMFYSA-N 0 0 335.452 0.769 10 0 ECAERN COCCN1CCN(C(=O)C2CCN(c3cnccn3)CC2)C[C@@H]1C ZINC000117425187 436657116 /nfs/dbraw/zinc/65/71/16/436657116.db2.gz SWRNJGIGNFBYJQ-HNNXBMFYSA-N 0 0 347.463 0.872 10 0 ECAERN CCC[C@@H](C(=O)NC[C@H](O)CS(=O)(=O)c1cccs1)N(C)C ZINC000120393648 436686464 /nfs/dbraw/zinc/68/64/64/436686464.db2.gz UOWAVZRJWHEYNQ-RYUDHWBXSA-N 0 0 348.490 0.729 10 0 ECAERN COCCN1CCN(C(=O)[C@@H](Cc2ccccc2)N(C)C)CC1=O ZINC000120467822 436687989 /nfs/dbraw/zinc/68/79/89/436687989.db2.gz FVQZZJKBDPLPNL-MRXNPFEDSA-N 0 0 333.432 0.477 10 0 ECAERN CSCCC(=O)N1CCn2nc([C@@H](O)c3nccn3C)cc2C1 ZINC000223024494 436705378 /nfs/dbraw/zinc/70/53/78/436705378.db2.gz VSKKHDURWLZVMT-CQSZACIVSA-N 0 0 335.433 0.794 10 0 ECAERN O=C(NC[C@H](O)CN1CCOCC1)c1ccn(-c2ccccc2F)n1 ZINC000121105371 436707816 /nfs/dbraw/zinc/70/78/16/436707816.db2.gz YDWDJTAKNWVGMC-ZDUSSCGKSA-N 0 0 348.378 0.434 10 0 ECAERN NC(=O)[C@]1(O)CCCN(CC(=O)NCc2ccc(Cl)cc2)C1 ZINC000225482006 436710024 /nfs/dbraw/zinc/71/00/24/436710024.db2.gz VNRRCLAOIRADDZ-HNNXBMFYSA-N 0 0 325.796 0.268 10 0 ECAERN CCc1nnc([C@H]2CN(C(=O)CCCCc3c[nH]nn3)CCO2)[nH]1 ZINC000139417853 436664541 /nfs/dbraw/zinc/66/45/41/436664541.db2.gz KYYNIMZSFGDJJU-GFCCVEGCSA-N 0 0 333.396 0.798 10 0 ECAERN O=C(Cn1cnc(-c2ccccc2)n1)N1CC[C@@H](N2CCOCC2)C1 ZINC000120312162 436685264 /nfs/dbraw/zinc/68/52/64/436685264.db2.gz PBHOGANMWMKVLD-MRXNPFEDSA-N 0 0 341.415 0.878 10 0 ECAERN CN1CCO[C@@H](CNC(=O)C(=O)Nc2cc(F)c(F)c(F)c2)C1 ZINC000121635671 436721488 /nfs/dbraw/zinc/72/14/88/436721488.db2.gz RIONRCYMCXAHSJ-VIFPVBQESA-N 0 0 331.294 0.489 10 0 ECAERN COCCCCCNC(=O)N1CCN(c2ccc3nncn3n2)CC1 ZINC000152599038 436734893 /nfs/dbraw/zinc/73/48/93/436734893.db2.gz JMVULONKZAEGGS-UHFFFAOYSA-N 0 0 347.423 0.773 10 0 ECAERN O=C(Cc1cccc(O)c1)N1CCN(c2ccc3nncn3n2)CC1 ZINC000127834698 436806959 /nfs/dbraw/zinc/80/69/59/436806959.db2.gz VNBMFSQKXURLGW-UHFFFAOYSA-N 0 0 338.371 0.721 10 0 ECAERN CCOC(=O)[C@H]1CCCN1C[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000274288704 436813304 /nfs/dbraw/zinc/81/33/04/436813304.db2.gz GAMZMKARDGZHDZ-SWLSCSKDSA-N 0 0 346.383 0.671 10 0 ECAERN CCOCCN1CCN(S(=O)(=O)[C@@H]2CCO[C@H]2C)C[C@H]1CC ZINC000248951959 436813861 /nfs/dbraw/zinc/81/38/61/436813861.db2.gz PSXJSZOFOGJFJE-RRFJBIMHSA-N 0 0 334.482 0.926 10 0 ECAERN Cc1cnn(CCNC(=O)N2CCN([C@@H](C)C(=O)NC3CC3)CC2)c1 ZINC000126216878 436783566 /nfs/dbraw/zinc/78/35/66/436783566.db2.gz CTFIXSMJWLNXMU-AWEZNQCLSA-N 0 0 348.451 0.186 10 0 ECAERN Cc1ccc(NC(=O)C(=O)N2CCN(C[C@H](C)O)[C@H](C)C2)c(F)c1 ZINC000246964660 436787116 /nfs/dbraw/zinc/78/71/16/436787116.db2.gz IVJSASDSPABCAQ-OLZOCXBDSA-N 0 0 337.395 0.986 10 0 ECAERN NC(=O)[C@@H]1COCCN1S(=O)(=O)c1cccc(Br)c1 ZINC000126603142 436789488 /nfs/dbraw/zinc/78/94/88/436789488.db2.gz QGIHDWIICDBWMY-JTQLQIEISA-N 0 0 349.206 0.324 10 0 ECAERN C[C@H](O)CN1CCN(C(=O)C(=O)Nc2ccc(F)c(F)c2)C[C@H]1C ZINC000247219797 436789796 /nfs/dbraw/zinc/78/97/96/436789796.db2.gz YJASRARFVGNXMA-MNOVXSKESA-N 0 0 341.358 0.817 10 0 ECAERN CC[C@@H]1CN(C(=O)NC[C@@H]2CN(C)CCO2)CCN1CC(F)F ZINC000127472646 436801210 /nfs/dbraw/zinc/80/12/10/436801210.db2.gz WWTMPAZRSGMLJS-CHWSQXEVSA-N 0 0 334.411 0.688 10 0 ECAERN O=C(NCC1CC1)[C@@H]1C[C@@H](O)CN1C1CN(Cc2ccncc2)C1 ZINC000253400130 436842604 /nfs/dbraw/zinc/84/26/04/436842604.db2.gz DQWAKYTUPSJYNX-SJORKVTESA-N 0 0 330.432 0.227 10 0 ECAERN CNc1cc(N2CCC[C@@H]2CNC(=O)c2c[nH]c(=O)cc2C)ncn1 ZINC000132348017 436865659 /nfs/dbraw/zinc/86/56/59/436865659.db2.gz ZDTNNHDDAFKRJV-GFCCVEGCSA-N 0 0 342.403 0.914 10 0 ECAERN C[C@H](NC(=O)NCC(=O)N1CCCCC1)c1nnc2n1CCCC2 ZINC000162862067 436914701 /nfs/dbraw/zinc/91/47/01/436914701.db2.gz DWHUSWZKTVDZMA-LBPRGKRZSA-N 0 0 334.424 0.987 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)c1c(CC)c(CC)n[nH]c1=O)CC2 ZINC000135581815 436919483 /nfs/dbraw/zinc/91/94/83/436919483.db2.gz JLDAJPCMZJTQRD-SNVBAGLBSA-N 0 0 344.419 0.793 10 0 ECAERN CC[C@H]1CN(C(=O)N[C@@H]2CCc3ncnn3C2)CCN1CC(F)F ZINC000133758444 436882688 /nfs/dbraw/zinc/88/26/88/436882688.db2.gz NGHVIRKPZFWSBJ-NEPJUHHUSA-N 0 0 342.394 0.964 10 0 ECAERN COC[C@H](O)CCNC(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000133759021 436883965 /nfs/dbraw/zinc/88/39/65/436883965.db2.gz XKGGSJOLVWADJZ-VXGBXAGGSA-N 0 0 325.413 0.413 10 0 ECAERN C[C@H](NC(=O)C(=O)Nc1ccc(-n2ccnn2)cc1)[C@@H]1CCCO1 ZINC000171227284 436974356 /nfs/dbraw/zinc/97/43/56/436974356.db2.gz WXNNAZJRWQNCIP-FZMZJTMJSA-N 0 0 329.360 0.890 10 0 ECAERN CS(=O)(=O)N(CC(=O)[O-])C[C@@H]1CN(CC2CCCCC2)CCO1 ZINC000262881202 436943953 /nfs/dbraw/zinc/94/39/53/436943953.db2.gz FLCPNIIUWBWFGH-AWEZNQCLSA-N 0 0 348.465 0.614 10 0 ECAERN COc1cnc(NC(=O)NC2CC([N@@H+](CC(=O)[O-])CC3CC3)C2)nc1 ZINC000262986298 436948298 /nfs/dbraw/zinc/94/82/98/436948298.db2.gz CTCPXRGYWBZJLJ-UHFFFAOYSA-N 0 0 349.391 0.934 10 0 ECAERN CC(=O)NCc1ccc(C(=O)N2CC[C@@H](N3CCOCC3)C2)cc1 ZINC000172745042 437027231 /nfs/dbraw/zinc/02/72/31/437027231.db2.gz KJNBNYLHMWWWAY-QGZVFWFLSA-N 0 0 331.416 0.869 10 0 ECAERN O=C(Cn1nnc(-c2ccccc2)n1)N1CC[C@H](N2CCOCC2)C1 ZINC000172747742 437027265 /nfs/dbraw/zinc/02/72/65/437027265.db2.gz SESYOIZENCANAE-HNNXBMFYSA-N 0 0 342.403 0.273 10 0 ECAERN CCOCCN1CCN(C(=O)c2ccc(-n3cnnn3)cc2)C[C@@H]1C ZINC000172222153 437003778 /nfs/dbraw/zinc/00/37/78/437003778.db2.gz ZDTZXVJGUFZVIG-AWEZNQCLSA-N 0 0 344.419 0.845 10 0 ECAERN CN1CCO[C@@H](CNC(=O)C(=O)Nc2ccc3scnc3c2)C1 ZINC000172308582 437009089 /nfs/dbraw/zinc/00/90/89/437009089.db2.gz JHDHOQCEAOXJIM-NSHDSACASA-N 0 0 334.401 0.682 10 0 ECAERN CCn1cc(NC(=O)N2CCN(c3ccc4nncn4n3)CC2)cn1 ZINC000172476412 437015385 /nfs/dbraw/zinc/01/53/85/437015385.db2.gz BWEYJFDTBMXYNJ-UHFFFAOYSA-N 0 0 341.379 0.695 10 0 ECAERN Cc1nnc([C@H]2CN(C(=O)c3cccc(-n4cnnn4)c3)CCO2)[nH]1 ZINC000173547418 437056750 /nfs/dbraw/zinc/05/67/50/437056750.db2.gz CIIHJEUBOOVLMU-CYBMUJFWSA-N 0 0 340.347 0.303 10 0 ECAERN Cc1nnc([C@@H]2CN(CC(=O)NCCOc3ccccc3)CCO2)[nH]1 ZINC000173670786 437060893 /nfs/dbraw/zinc/06/08/93/437060893.db2.gz PSCOUQSEVSCOHG-HNNXBMFYSA-N 0 0 345.403 0.682 10 0 ECAERN O=C(NCCCNc1ccccn1)N1CC[C@@H](N2CCOCC2)C1 ZINC000173840443 437066936 /nfs/dbraw/zinc/06/69/36/437066936.db2.gz OODRFFXSZOMGFC-OAHLLOKOSA-N 0 0 333.436 1.000 10 0 ECAERN CC(=O)Nc1cccc(NC(=O)CN2CC[C@@H](N3CCOCC3)C2)c1 ZINC000173943074 437068255 /nfs/dbraw/zinc/06/82/55/437068255.db2.gz ZVJIVNRDBBIMHI-QGZVFWFLSA-N 0 0 346.431 0.990 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)Nc1ccn(CC[NH+](C)C)n1)CC2 ZINC000173954728 437071476 /nfs/dbraw/zinc/07/14/76/437071476.db2.gz ZLHWKRMKAWXPEB-GFCCVEGCSA-N 0 0 346.439 0.735 10 0 ECAERN Cc1nn(C)c(C)c1S(=O)(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000174000936 437073541 /nfs/dbraw/zinc/07/35/41/437073541.db2.gz OXIXRXLPSXAMHO-CYBMUJFWSA-N 0 0 328.438 0.132 10 0 ECAERN C[C@H](CS(C)(=O)=O)C(=O)N(C)[C@H]1CCCN(c2cccnn2)C1 ZINC000176867235 437159691 /nfs/dbraw/zinc/15/96/91/437159691.db2.gz LJULJCQIRGIJIL-OLZOCXBDSA-N 0 0 340.449 0.585 10 0 ECAERN Cc1nc(C)c(S(=O)(=O)N2CC[C@@H](N3CCOCC3)C2)s1 ZINC000176945456 437162742 /nfs/dbraw/zinc/16/27/42/437162742.db2.gz TWAKVDVAGAWOPH-GFCCVEGCSA-N 0 0 331.463 0.855 10 0 ECAERN C[C@H]1CN(C(=O)NCc2cccc(C(N)=O)c2)C[C@@H]1N1CCOCC1 ZINC000175671465 437113503 /nfs/dbraw/zinc/11/35/03/437113503.db2.gz OSKNZOYYQZBIDZ-BBRMVZONSA-N 0 0 346.431 0.648 10 0 ECAERN C[C@@H]1CN(C(=O)NCCNC(=O)C(C)(C)C)C[C@H]1N1CCOCC1 ZINC000175740061 437115419 /nfs/dbraw/zinc/11/54/19/437115419.db2.gz FODFVGQONHRSFT-ZIAGYGMSSA-N 0 0 340.468 0.511 10 0 ECAERN CNC(=O)c1ccc(N2CCC(N(C)c3cccnn3)CC2)nn1 ZINC000301425642 437123916 /nfs/dbraw/zinc/12/39/16/437123916.db2.gz GYPJAQXIFCZIRH-UHFFFAOYSA-N 0 0 327.392 0.731 10 0 ECAERN COc1nc(NC[C@@H]2CN3CCN2CC3)nc(N2CCCCCC2)n1 ZINC000301761973 437131509 /nfs/dbraw/zinc/13/15/09/437131509.db2.gz GIJZSJLDNRTBFX-CQSZACIVSA-N 0 0 347.467 0.672 10 0 ECAERN O=C(CN1CCN(c2ccccn2)CC1)N[C@@H]1CCCn2ncnc21 ZINC000176134268 437132708 /nfs/dbraw/zinc/13/27/08/437132708.db2.gz FNOXNOCBUMMTPO-CQSZACIVSA-N 0 0 341.419 0.446 10 0 ECAERN CC(C)(C)OC(=O)[C@@H]1CCN(C(=O)N[C@@H]2CCc3ncnn3C2)C1 ZINC000176273471 437140403 /nfs/dbraw/zinc/14/04/03/437140403.db2.gz NKPBNURRAJEKLV-VXGBXAGGSA-N 0 0 335.408 0.966 10 0 ECAERN C[C@@](NC(=O)[C@@H]1CNC(=O)C1)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000177395042 437184381 /nfs/dbraw/zinc/18/43/81/437184381.db2.gz SRGRUEJPSIYTNU-RTHLEPHNSA-N 0 0 343.305 0.658 10 0 ECAERN O=C(CCNC(=O)Cc1ccccc1)N[C@H]1CCCn2ncnc21 ZINC000177552737 437190159 /nfs/dbraw/zinc/19/01/59/437190159.db2.gz OPQMKDFGZICQAE-AWEZNQCLSA-N 0 0 327.388 0.978 10 0 ECAERN Cc1c(F)cccc1NC(=O)C(=O)N1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000177610765 437191895 /nfs/dbraw/zinc/19/18/95/437191895.db2.gz ZOPUZXSWCXKMFE-NWDGAFQWSA-N 0 0 337.395 0.986 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)[C@H]1CC(=O)N(c3cn[nH]c3)C1)CC2 ZINC000178242093 437210223 /nfs/dbraw/zinc/21/02/23/437210223.db2.gz DOBPIPQPTBVUGW-QWRGUYRKSA-N 0 0 343.391 0.048 10 0 ECAERN Cc1nn(C)c(CN2CCC[C@](O)(C(N)=O)C2)c1Br ZINC000311924958 437169974 /nfs/dbraw/zinc/16/99/74/437169974.db2.gz FJWOLCVILINKEP-GFCCVEGCSA-N 0 0 331.214 0.303 10 0 ECAERN CNC(=O)[C@H](NC(=O)c1ccc(=O)n(Cc2ccccc2)n1)C(C)C ZINC000178709760 437224539 /nfs/dbraw/zinc/22/45/39/437224539.db2.gz VGRPWXCZBAYUEN-MRXNPFEDSA-N 0 0 342.399 0.792 10 0 ECAERN CC(=O)N[C@H]1CCCN(C(=O)C[N@@H+]2CCC[C@@H]2Cn2ccnc2C)C1 ZINC000178752385 437228864 /nfs/dbraw/zinc/22/88/64/437228864.db2.gz GKJLCGBITSLICG-DLBZAZTESA-N 0 0 347.463 0.783 10 0 ECAERN CC(C)OCCS(=O)(=O)N1CC[C@@](O)(c2nc(C3CC3)no2)C1 ZINC000328613666 437239358 /nfs/dbraw/zinc/23/93/58/437239358.db2.gz TUCADWLILRAYQN-AWEZNQCLSA-N 0 0 345.421 0.595 10 0 ECAERN CCN1CCN(C(=O)Cn2ccccc2=O)C[C@@H]1c1nccn1C ZINC000328615206 437239489 /nfs/dbraw/zinc/23/94/89/437239489.db2.gz ARLILUVZMNGOHM-CQSZACIVSA-N 0 0 329.404 0.487 10 0 ECAERN CN(C)C(=O)CN1CCC[C@@H](c2n[nH]cc2C(=O)N2CCOCC2)C1 ZINC000328603950 437240095 /nfs/dbraw/zinc/24/00/95/437240095.db2.gz HSWXORDOPKBLKP-CYBMUJFWSA-N 0 0 349.435 0.150 10 0 ECAERN CCn1cnnc1[C@H]1CN(C(=O)[C@H](C)N2CCSCC2)CCO1 ZINC000328615990 437240468 /nfs/dbraw/zinc/24/04/68/437240468.db2.gz BGYZDFFZPXZVPC-QWHCGFSZSA-N 0 0 339.465 0.635 10 0 ECAERN C[C@@H](C1CC1)N(C(=O)CN1CCO[C@H](c2nncn2C)C1)C1CC1 ZINC000328629951 437241262 /nfs/dbraw/zinc/24/12/62/437241262.db2.gz IVMWOOCTHODAOL-WFASDCNBSA-N 0 0 333.436 0.978 10 0 ECAERN Cc1cccc(OC[C@H](O)CN2CCO[C@H](c3nncn3C)C2)c1 ZINC000328639470 437243649 /nfs/dbraw/zinc/24/36/49/437243649.db2.gz PNYMDZBFXNLYIS-ZBFHGGJFSA-N 0 0 332.404 0.937 10 0 ECAERN CN1CCN(S(=O)(=O)CC[C@H]2CCCO2)C[C@H]1c1ncc[nH]1 ZINC000328634565 437243966 /nfs/dbraw/zinc/24/39/66/437243966.db2.gz UEVCDJMASAARSF-OLZOCXBDSA-N 0 0 328.438 0.597 10 0 ECAERN CCn1c2ccc(C(=O)N[C@H]3CCCC[C@@H]3CO)cc2[nH]c(=O)c1=O ZINC000179254176 437257020 /nfs/dbraw/zinc/25/70/20/437257020.db2.gz HWWNWMWPZPQXNR-OLZOCXBDSA-N 0 0 345.399 0.991 10 0 ECAERN Cc1cc(F)ccc1-n1cc(C(=O)N2CCOC[C@@H]2C(N)=O)nn1 ZINC000180194420 437280265 /nfs/dbraw/zinc/28/02/65/437280265.db2.gz XYBBPSUBOGXWJF-CYBMUJFWSA-N 0 0 333.323 0.041 10 0 ECAERN Cc1nnc([C@@H]2CN(C(=O)C(=O)Nc3cccc(F)c3)CCO2)[nH]1 ZINC000180223800 437283658 /nfs/dbraw/zinc/28/36/58/437283658.db2.gz JTFKUFCOFRYJFT-LBPRGKRZSA-N 0 0 333.323 0.791 10 0 ECAERN CCCc1csc(NC(=O)NC[C@@H](O)CN2CCOCC2)n1 ZINC000180642419 437295889 /nfs/dbraw/zinc/29/58/89/437295889.db2.gz DGRGPKJTDIKWMP-GFCCVEGCSA-N 0 0 328.438 0.910 10 0 ECAERN CC(C)(C)n1nccc1NC(=O)C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000180716568 437300459 /nfs/dbraw/zinc/30/04/59/437300459.db2.gz GMLKMPZQRZSZAM-CYBMUJFWSA-N 0 0 349.435 0.510 10 0 ECAERN CC(C)NS(=O)(=O)CCNC(=O)N1CCCC[C@H]1c1cn[nH]c1 ZINC000182521692 437352071 /nfs/dbraw/zinc/35/20/71/437352071.db2.gz FAASKUWJUZITIR-ZDUSSCGKSA-N 0 0 343.453 0.974 10 0 ECAERN Cc1cc(=O)n(C)cc1NC(=O)C(=O)N1CCN2CCCC[C@H]2C1 ZINC000183109942 437374328 /nfs/dbraw/zinc/37/43/28/437374328.db2.gz LBRZXCFZSWGSKV-ZDUSSCGKSA-N 0 0 332.404 0.329 10 0 ECAERN CC(C)Oc1ccc(CCNC(=O)CN2C[C@@H](O)C[C@@H]2CO)cc1 ZINC000185131375 437428170 /nfs/dbraw/zinc/42/81/70/437428170.db2.gz CRRMTGQLGVELIX-CVEARBPZSA-N 0 0 336.432 0.560 10 0 ECAERN CCCCN1CCOC[C@H]1C(=O)NCC1N=NC(=S)N1CC ZINC000184376846 437400640 /nfs/dbraw/zinc/40/06/40/437400640.db2.gz WQCFTPOPNVKHDG-NSHDSACASA-N 0 0 327.454 0.704 10 0 ECAERN COCC(=O)NC1CN(C(=O)c2cnn(-c3ccccc3F)c2C)C1 ZINC000185300345 437434709 /nfs/dbraw/zinc/43/47/09/437434709.db2.gz PEQSNICXGVQXAZ-UHFFFAOYSA-N 0 0 346.362 0.907 10 0 ECAERN Cc1cnn(C[C@@H]2CN(S(=O)(=O)c3ccc(N)cc3)CCO2)c1 ZINC000185986503 437457191 /nfs/dbraw/zinc/45/71/91/437457191.db2.gz ODHVOTSXVBFUPE-CQSZACIVSA-N 0 0 336.417 0.863 10 0 ECAERN Cc1cnn(C[C@H]2CN(S(=O)(=O)c3ccc(N)cc3)CCO2)c1 ZINC000185986520 437457670 /nfs/dbraw/zinc/45/76/70/437457670.db2.gz ODHVOTSXVBFUPE-AWEZNQCLSA-N 0 0 336.417 0.863 10 0 ECAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)N1CCN(C)C(=O)[C@H]1C)CC2 ZINC000187192907 437495632 /nfs/dbraw/zinc/49/56/32/437495632.db2.gz VZAZOCGDZLJEII-VXGBXAGGSA-N 0 0 334.424 0.588 10 0 ECAERN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)N1CC(NC(=O)C2CC2)C1 ZINC000187294207 437498711 /nfs/dbraw/zinc/49/87/11/437498711.db2.gz NWPOWVXAJJMTBN-JTQLQIEISA-N 0 0 333.436 0.888 10 0 ECAERN C[C@H]1C(=O)NCCCN1C(=O)CNC(=O)c1cc(F)cc(F)c1 ZINC000188077613 437524105 /nfs/dbraw/zinc/52/41/05/437524105.db2.gz AXKASKNGWATEKA-VIFPVBQESA-N 0 0 325.315 0.432 10 0 ECAERN CCOc1ccnc(N2CCN(C(=O)Cc3cncn3C)CC2)n1 ZINC000187075627 437491874 /nfs/dbraw/zinc/49/18/74/437491874.db2.gz NGTTVJHACHJEPK-UHFFFAOYSA-N 0 0 330.392 0.500 10 0 ECAERN CCOc1cccc2[nH]cc(CC(=O)N3CCOC[C@H]3C(N)=O)c21 ZINC000188685524 437562655 /nfs/dbraw/zinc/56/26/55/437562655.db2.gz XAHXDCSCAJBDEQ-ZDUSSCGKSA-N 0 0 331.372 0.822 10 0 ECAERN C[C@@H]1C(=O)NCCCN1Cc1nnc2n1c1ccccc1c(=O)n2C ZINC000189300391 437590905 /nfs/dbraw/zinc/59/09/05/437590905.db2.gz LZHBASUCXJFWJY-LLVKDONJSA-N 0 0 340.387 0.292 10 0 ECAERN CCc1cc(NC(=O)C(=O)N2CCC[C@@H]2Cn2ccnc2)n(C)n1 ZINC000190764501 437638495 /nfs/dbraw/zinc/63/84/95/437638495.db2.gz UVQZLNRDHWZAGX-CYBMUJFWSA-N 0 0 330.392 0.809 10 0 ECAERN C[C@@H](O)CN1CCN(CCS(=O)(=O)c2ccc(F)cc2)C[C@@H]1C ZINC000192574971 437682563 /nfs/dbraw/zinc/68/25/63/437682563.db2.gz GXVYJEJWRVNJKM-UONOGXRCSA-N 0 0 344.452 0.986 10 0 ECAERN CCc1nc(NC(=O)C(=O)N[C@@H](C(=O)NC)C(C)C)sc1C ZINC000193201616 437702338 /nfs/dbraw/zinc/70/23/38/437702338.db2.gz UTLDUZAZRPSEHQ-SNVBAGLBSA-N 0 0 326.422 0.839 10 0 ECAERN CO[C@H]1C[C@H](C(=O)N[C@@H]2CCO[C@H](C(C)C)C2)N(S(C)(=O)=O)C1 ZINC000370497347 437795076 /nfs/dbraw/zinc/79/50/76/437795076.db2.gz BAJQKOGNTOFXGH-RQJABVFESA-N 0 0 348.465 0.355 10 0 ECAERN CO[C@H]1C[C@H](C(=O)N[C@H]2C[C@](C)(OC)C2(C)C)N(S(C)(=O)=O)C1 ZINC000366054928 438010665 /nfs/dbraw/zinc/01/06/65/438010665.db2.gz PKKWVEOTCXRTBL-OXIQGZBJSA-N 0 0 348.465 0.355 10 0 ECAERN O=C(CCc1c[nH]cn1)N1CC[C@H](Nc2ccc3nccn3n2)C1 ZINC000373579767 438162452 /nfs/dbraw/zinc/16/24/52/438162452.db2.gz UXDRLIHSTBGACI-ZDUSSCGKSA-N 0 0 325.376 1.098 10 0 ECAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1 ZINC000370275861 438567329 /nfs/dbraw/zinc/56/73/29/438567329.db2.gz RGFURQCBYHUVAT-RYDUCSDGSA-N 0 0 332.408 0.730 10 0 ECAERN NC(=O)c1cccc([C@@H]2CNc3ccccc3N2S(N)(=O)=O)c1 ZINC000616686006 439820905 /nfs/dbraw/zinc/82/09/05/439820905.db2.gz GLVYEOZRFXVPDC-AWEZNQCLSA-N 0 0 332.385 0.962 10 0 ECAERN CC1(C)NC(=O)CC[C@H]1NC(=O)c1cncc(N2CCCC2=O)c1 ZINC000626967859 439972832 /nfs/dbraw/zinc/97/28/32/439972832.db2.gz KTMZYMNQYOVJLQ-CYBMUJFWSA-N 0 0 330.388 0.995 10 0 ECAERN CO[C@@H]1C[C@@H](CO)N(S(=O)(=O)c2c3c(nn2C)CCCC3)C1 ZINC000632320584 440169172 /nfs/dbraw/zinc/16/91/72/440169172.db2.gz NKHYHGKSTNZLKR-WDEREUQCSA-N 0 0 329.422 0.069 10 0 ECAERN Cn1cc(O[C@@H]2CN(C(=O)c3cccc4cn[nH]c43)C[C@H]2O)cn1 ZINC000628257928 440442528 /nfs/dbraw/zinc/44/25/28/440442528.db2.gz HSKIRBWQGJHPOE-ZIAGYGMSSA-N 0 0 327.344 0.561 10 0 ECAERN Cn1nc(CCNC(=O)CN2CCCC[C@H](O)C2=O)c2ccccc21 ZINC000644436514 440591270 /nfs/dbraw/zinc/59/12/70/440591270.db2.gz YFYCCPUQEXEEFW-INIZCTEOSA-N 0 0 344.415 0.605 10 0 ECAERN CCn1ccnc1[C@@H]1OCC[C@H]1CNS(=O)(=O)c1cn(C)cn1 ZINC000657147920 440973691 /nfs/dbraw/zinc/97/36/91/440973691.db2.gz VDBSFPRYRJDWDG-WCQYABFASA-N 0 0 339.421 0.693 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)NCc2ccc(C(N)=O)cc2)CC1 ZINC000184853326 320535240 /nfs/dbraw/zinc/53/52/40/320535240.db2.gz QIBFDSNGZDSGFV-OAHLLOKOSA-N 0 0 334.420 0.384 10 0 ECAERN O=C(CCc1nc(-c2ccncc2)no1)N1CC(NC(=O)C2CC2)C1 ZINC000189376782 320539182 /nfs/dbraw/zinc/53/91/82/320539182.db2.gz GKLJNFUBSSHFDT-UHFFFAOYSA-N 0 0 341.371 0.801 10 0 ECAERN CCS(=O)(=O)N(C)C1CCN([C@@H]2CCN(C3CC3)C2=O)CC1 ZINC000328666669 320725794 /nfs/dbraw/zinc/72/57/94/320725794.db2.gz KMCRDBQDQVACMG-CQSZACIVSA-N 0 0 329.466 0.496 10 0 ECAERN Cc1cc(C)n(Cc2nnc(N3CC[C@H](N4CCOCC4)C3)n2C)n1 ZINC000328693605 320727789 /nfs/dbraw/zinc/72/77/89/320727789.db2.gz FSDKLSIQQRGMCO-HNNXBMFYSA-N 0 0 345.451 0.588 10 0 ECAERN Cc1cc(C)n2nc(CC(=O)N3CCO[C@]4(CCOC4)C3)nc2n1 ZINC000329960383 320797853 /nfs/dbraw/zinc/79/78/53/320797853.db2.gz RBUQOWJFKMHMSK-MRXNPFEDSA-N 0 0 331.376 0.302 10 0 ECAERN C[C@@H]1COCCN1C(=O)[C@@H]1CC[C@@H](C(=O)N2CCOC[C@@H]2C)O1 ZINC000330254955 320812932 /nfs/dbraw/zinc/81/29/32/320812932.db2.gz JSQADTZPOWSIKA-CRWXNKLISA-N 0 0 326.393 0.029 10 0 ECAERN COC[C@@H]1C[C@@H](OC)CN1C(=O)c1cnc2ccc(C)cn2c1=O ZINC000344644734 321158296 /nfs/dbraw/zinc/15/82/96/321158296.db2.gz HKKQYGGOOVAVNS-QWHCGFSZSA-N 0 0 331.372 0.879 10 0 ECAERN COc1cccc([C@H](O)CNC(=O)N[C@H]2CCc3ncnn3C2)c1 ZINC000172603717 533786315 /nfs/dbraw/zinc/78/63/15/533786315.db2.gz VUOBALWDPMYDRM-GXTWGEPZSA-N 0 0 331.376 0.634 10 0 ECAERN OCCOCCN1CCN(Cc2cnn(-c3ccccc3)c2)CC1 ZINC000132964234 534367865 /nfs/dbraw/zinc/36/78/65/534367865.db2.gz DUSXGKQMQQTKOW-UHFFFAOYSA-N 0 0 330.432 0.999 10 0 ECAERN NC(=O)[C@H]1COCCN1C[C@@H](O)COCc1ccccc1Cl ZINC000179726349 534462864 /nfs/dbraw/zinc/46/28/64/534462864.db2.gz HXXNIOLKYHUPOD-TZMCWYRMSA-N 0 0 328.796 0.404 10 0 ECAERN O=C(NC[C@H](O)CN1CCOCC1)[C@@H]1C[C@]12CCc1ccccc12 ZINC000179481120 534624928 /nfs/dbraw/zinc/62/49/28/534624928.db2.gz RTHOVEQYNUGRGS-IEZWGBDMSA-N 0 0 330.428 0.700 10 0 ECAERN Cc1nc2ccc(NC(=O)C(=O)N3CC(NC(=O)C4CC4)C3)cc2o1 ZINC000187985551 534653033 /nfs/dbraw/zinc/65/30/33/534653033.db2.gz CNTGNOJBTQEVNJ-UHFFFAOYSA-N 0 0 342.355 0.812 10 0 ECAERN Cn1c(=O)ccn(CC(=O)N2CCC[C@H]2C[C@H](O)c2ccco2)c1=O ZINC000154507356 534671596 /nfs/dbraw/zinc/67/15/96/534671596.db2.gz KJZJBKZASHJIDK-STQMWFEESA-N 0 0 347.371 0.255 10 0 ECAERN Cc1cnn(CCNC(=O)NCCn2c(=O)[nH]c3ccccc32)c1 ZINC000176508882 534744916 /nfs/dbraw/zinc/74/49/16/534744916.db2.gz SRCSVCJEPGOKHR-UHFFFAOYSA-N 0 0 328.376 0.834 10 0 ECAERN CC(=O)NC1CN(C(=O)C(=O)Nc2ccc(Br)cc2)C1 ZINC000191340939 526704949 /nfs/dbraw/zinc/70/49/49/526704949.db2.gz GPFHCKJLWYWNQZ-UHFFFAOYSA-N 0 0 340.177 0.735 10 0 ECAERN CC(C)(C)n1nccc1NC(=O)C(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188015954 526939978 /nfs/dbraw/zinc/93/99/78/526939978.db2.gz RGOKAIGNZFFBIH-UHFFFAOYSA-N 0 0 347.419 0.704 10 0 ECAERN CCOc1cc(C)nc(N2CCN(c3nccn(C)c3=O)CC2)n1 ZINC000174742099 528256522 /nfs/dbraw/zinc/25/65/22/528256522.db2.gz NLIIFIUXIDLXLJ-UHFFFAOYSA-N 0 0 330.392 0.604 10 0 ECAERN CC(C)[C@@H](O)CC(=O)NCCCN1CCN(c2ncccn2)CC1 ZINC000155238545 528614311 /nfs/dbraw/zinc/61/43/11/528614311.db2.gz ZEOLQXWUJXNJJO-HNNXBMFYSA-N 0 0 335.452 0.512 10 0 ECAERN CC[C@@H]1CN(C(=O)C(=O)Nc2cnn(CC)c2)CCN1C[C@@H](C)O ZINC000130860568 529359710 /nfs/dbraw/zinc/35/97/10/529359710.db2.gz QLIKRXMLBPYNID-TZMCWYRMSA-N 0 0 337.424 0.145 10 0 ECAERN CC(C)c1n[nH]cc1C(=O)N1CCN(c2ccc3nncn3n2)CC1 ZINC000193599492 535325948 /nfs/dbraw/zinc/32/59/48/535325948.db2.gz BVAWYLVMHGISFK-UHFFFAOYSA-N 0 0 340.391 0.933 10 0 ECAERN CC(C)CSC[C@@H]1O[C@H](n2cnc3c2ncnc3N)[C@@H](O)[C@H]1O ZINC000002516140 545654927 /nfs/dbraw/zinc/65/49/27/545654927.db2.gz JDDUQGRUPLKDNT-AEHQLWAISA-N 0 0 339.421 0.417 10 0 ECAERN CN(C[C@@H]1CN(C)CCO1)C(=O)CCN1C(=O)c2ccccc2C1=O ZINC000074774693 545684792 /nfs/dbraw/zinc/68/47/92/545684792.db2.gz TYWCLEIZYSDCNH-ZDUSSCGKSA-N 0 0 345.399 0.462 10 0 ECAERN Cc1ccc(C(=O)NC[C@H]2CCCC[C@H]2O)cc1S(N)(=O)=O ZINC000081443271 545704243 /nfs/dbraw/zinc/70/42/43/545704243.db2.gz BFPXYLIKHHMAOJ-CHWSQXEVSA-N 0 0 326.418 0.923 10 0 ECAERN Cc1ccc([C@H](C)NC(=O)Cn2cc(S(N)(=O)=O)cn2)cc1F ZINC000127806181 545775654 /nfs/dbraw/zinc/77/56/54/545775654.db2.gz DWDSJDUIDPVAEL-JTQLQIEISA-N 0 0 340.380 0.855 10 0 ECAERN CN(Cc1cnn(C)c1)C(=O)CN1CC[C@H](Oc2cccnc2)C1 ZINC000152188041 545815183 /nfs/dbraw/zinc/81/51/83/545815183.db2.gz AXDJWFPWGQFHIH-INIZCTEOSA-N 0 0 329.404 0.927 10 0 ECAERN O=C(Nc1cnn(CC2CC2)c1)C(=O)N1CCC[C@H](n2cncn2)C1 ZINC000177961843 545877429 /nfs/dbraw/zinc/87/74/29/545877429.db2.gz MBSCGJRECGWPLE-AWEZNQCLSA-N 0 0 343.391 0.687 10 0 ECAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1C[C@H](c2ccccc2)OC[C@H]1C ZINC000188876864 545902885 /nfs/dbraw/zinc/90/28/85/545902885.db2.gz OSRJZOBJDOHZED-BASLNEPJSA-N 0 0 332.400 0.957 10 0 ECAERN CCOc1nc(C)ccc1C(=O)N1CC[C@](O)(Cn2ccnn2)C1 ZINC000671606315 548203559 /nfs/dbraw/zinc/20/35/59/548203559.db2.gz ZQUUYQJXEHGORR-MRXNPFEDSA-N 0 0 331.376 0.657 10 0 ECAERN CC(C)(C)OC(=O)N1CCC[C@@]2(CC(=O)O[C@H]2CS(N)(=O)=O)C1 ZINC000757228200 579460200 /nfs/dbraw/zinc/46/02/00/579460200.db2.gz WZWMOGGJLZJRBU-IINYFYTJSA-N 0 0 348.421 0.608 10 0 ECAERN Cc1nn(CC(=O)N2CCC[C@](O)(c3cn[nH]n3)C2)c(C)c1Cl ZINC000794121803 578576145 /nfs/dbraw/zinc/57/61/45/578576145.db2.gz WYUPIBDPNZJZOG-CQSZACIVSA-N 0 0 338.799 0.782 10 0 ECAERN C[C@H]1CN=C(N2CCN(C[C@@H](O)CN3CCCC3=O)CC2)S1 ZINC000127025971 586055241 /nfs/dbraw/zinc/05/52/41/586055241.db2.gz YOLGGRICVMVLHE-QWHCGFSZSA-N 0 0 326.466 0.079 10 0 ECAERN CCn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2cnc3cccnn32)cn1 ZINC000846272617 586314648 /nfs/dbraw/zinc/31/46/48/586314648.db2.gz KIOGHGDNFPJOOO-GXTWGEPZSA-N 0 0 342.359 0.522 10 0 ECAERN Cc1ncc(Cl)c(C(=O)N[C@H]2COC[C@H]2Oc2cnn(C)c2)n1 ZINC000888094474 586348810 /nfs/dbraw/zinc/34/88/10/586348810.db2.gz UEACXAGUPXITOZ-NWDGAFQWSA-N 0 0 337.767 0.748 10 0 ECAERN CNC(=O)[C@H]1CC(=O)N(C2CN(C(=O)COc3cccc(F)c3)C2)C1 ZINC000888098063 586349360 /nfs/dbraw/zinc/34/93/60/586349360.db2.gz CHRRADDLRBFPIE-NSHDSACASA-N 0 0 349.362 0.010 10 0 ECAERN CNC(=O)[C@@H]1CC(=O)N(C2CN(c3cc(C)nc(C4CC4)n3)C2)C1 ZINC000888098724 586349780 /nfs/dbraw/zinc/34/97/80/586349780.db2.gz KTIPUQNBIHOGLH-GFCCVEGCSA-N 0 0 329.404 0.446 10 0 ECAERN CNC(=O)[C@@H]1CC(=O)N(C2CN(c3nc4cc(F)ccc4o3)C2)C1 ZINC000888098273 586349850 /nfs/dbraw/zinc/34/98/50/586349850.db2.gz CTDPLSSZQUSDTJ-SECBINFHSA-N 0 0 332.335 0.750 10 0 ECAERN Cn1nc(C[C@H]2CCCC[C@H]2NS(=O)(=O)C2(C)CC2)n(C)c1=O ZINC000888099069 586350334 /nfs/dbraw/zinc/35/03/34/586350334.db2.gz QMYIOTDIXCBRFE-VXGBXAGGSA-N 0 0 342.465 0.692 10 0 ECAERN Cn1ccnc1[C@H](NC(=O)c1cccn2nnnc12)C1CCOCC1 ZINC000897714182 586364046 /nfs/dbraw/zinc/36/40/46/586364046.db2.gz QOFMVNJCHLIJKS-CYBMUJFWSA-N 0 0 341.375 0.756 10 0 ECAERN O=C(NCCN=S1(=O)CCCC1)c1c[nH]nc1[C@H]1CCOC1 ZINC000898425854 586422747 /nfs/dbraw/zinc/42/27/47/586422747.db2.gz DFMNHSDGMFJILE-NSHDSACASA-N 0 0 326.422 0.905 10 0 ECAERN CC(C)S(=O)(=O)CC(=O)N1CC[C@@H](n2cc(C3CC3)nn2)C1 ZINC000899076643 586469531 /nfs/dbraw/zinc/46/95/31/586469531.db2.gz QZHCAYQIBJBBDD-GFCCVEGCSA-N 0 0 326.422 0.752 10 0 ECAERN CCc1nc[nH]c1C(=O)NC1CCN(c2nccn(C)c2=O)CC1 ZINC000907565681 586736479 /nfs/dbraw/zinc/73/64/79/586736479.db2.gz BYXAWXLPTHDGNX-UHFFFAOYSA-N 0 0 330.392 0.465 10 0 ECAERN C/C(=C\C(=O)N1CCO[C@H](c2noc(C)n2)C1)CN1CCOCC1 ZINC000907258704 587030475 /nfs/dbraw/zinc/03/04/75/587030475.db2.gz UZERKPVGXNTLJR-TZIYXEQSSA-N 0 0 336.392 0.556 10 0 ECAERN Cn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2cc(C3CC3)n(C)n2)cn1 ZINC000862924866 589974457 /nfs/dbraw/zinc/97/44/57/589974457.db2.gz TXLYXOZADUBZSE-DZGCQCFKSA-N 0 0 331.376 0.607 10 0 ECAERN Cn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2cnn3cccnc23)cn1 ZINC000862926165 589975094 /nfs/dbraw/zinc/97/50/94/589975094.db2.gz WWSCKPMYXJOJJI-QWHCGFSZSA-N 0 0 328.332 0.039 10 0 ECAERN C[C@@H]1CN(Cn2nc(-c3ccc(F)cc3)oc2=O)C[C@H](C(N)=O)O1 ZINC000120174376 590093336 /nfs/dbraw/zinc/09/33/36/590093336.db2.gz GEDUHGLIOGEXEF-BXKDBHETSA-N 0 0 336.323 0.175 10 0 ECAERN CC(C)(CNC(=O)C[C@@H]1CS(=O)(=O)CCN1)c1cccs1 ZINC000127681711 590583950 /nfs/dbraw/zinc/58/39/50/590583950.db2.gz UCFZITMMUVBHAU-LLVKDONJSA-N 0 0 330.475 0.919 10 0 ECAERN O=C1[C@@H]2CC=CC[C@H]2C(=O)N1CN1CCN(c2cnccn2)CC1 ZINC000026662941 590603849 /nfs/dbraw/zinc/60/38/49/590603849.db2.gz OWVGVJNXGRSZKM-ZIAGYGMSSA-N 0 0 327.388 0.507 10 0 ECAERN Cc1ccc2oc(N3CCN(Cn4ncn(C)c4=O)CC3)nc2c1 ZINC000132695457 590657607 /nfs/dbraw/zinc/65/76/07/590657607.db2.gz WETNDMMIMXJYMB-UHFFFAOYSA-N 0 0 328.376 0.811 10 0 ECAERN CCN1C(=O)CC[C@H](CNC(=O)c2cn[nH]c2)[C@H]1c1nccn1C ZINC000886027163 590786951 /nfs/dbraw/zinc/78/69/51/590786951.db2.gz LBOOMBFYCXKWLS-RISCZKNCSA-N 0 0 330.392 0.873 10 0 ECAERN CCN1CCO[C@@H](CNC(=O)c2cc[nH]c(=O)c2)[C@@H]1c1ccnn1C ZINC000886054735 590789208 /nfs/dbraw/zinc/78/92/08/590789208.db2.gz YTDRGQAEQVHNMQ-HOCLYGCPSA-N 0 0 345.403 0.713 10 0 ECAERN CO[C@@H]1CCCCN(CC(=O)N2CCN(c3ccccn3)CC2)C1=O ZINC000886077683 590791655 /nfs/dbraw/zinc/79/16/55/590791655.db2.gz BSIQMGAFOGNYDC-OAHLLOKOSA-N 0 0 346.431 0.758 10 0 ECAERN CCc1ccccc1CC(=O)N1CCN([C@]2(C(N)=O)CCOC2)CC1 ZINC000886077629 590791862 /nfs/dbraw/zinc/79/18/62/590791862.db2.gz MOKHNKNJEZUSDZ-LJQANCHMSA-N 0 0 345.443 0.580 10 0 ECAERN CO[C@@H]1CCCCN(CC(=O)N2CCC(Cn3ccnn3)CC2)C1=O ZINC000886088208 590793359 /nfs/dbraw/zinc/79/33/59/590793359.db2.gz NCDGCXOTFBLKDP-OAHLLOKOSA-N 0 0 349.435 0.544 10 0 ECAERN Cn1cnnc1C[C@@]1(O)CCCN(C(=O)c2ccc3[nH]cnc3c2)C1 ZINC000886094973 590794628 /nfs/dbraw/zinc/79/46/28/590794628.db2.gz IZZZFWULPVAJSM-KRWDZBQOSA-N 0 0 340.387 0.901 10 0 ECAERN Cc1ccc(C)c(C(=O)N2CCN([C@]3(C(N)=O)CCOC3)CC2)c1 ZINC000886096689 590795666 /nfs/dbraw/zinc/79/56/66/590795666.db2.gz IUXUIOUVDJHLJG-GOSISDBHSA-N 0 0 331.416 0.706 10 0 ECAERN COCCOc1cc(C(=O)N[C@@H]2C[C@@H](O)C23CCOCC3)ccn1 ZINC000887005370 590918528 /nfs/dbraw/zinc/91/85/28/590918528.db2.gz FFORHSIOGLDCNB-ZIAGYGMSSA-N 0 0 336.388 0.767 10 0 ECAERN Cc1cnn(C[C@H]2CN(C(=O)NCCc3ccnn3C)CCO2)c1 ZINC000186722404 611397583 /nfs/dbraw/zinc/39/75/83/611397583.db2.gz OPRWDLKGTHRRQK-OAHLLOKOSA-N 0 0 332.408 0.578 10 0 ECAERN CCCOC(=O)[C@H](C)N1CCN(c2cc(C)nc3ncnn32)CC1 ZINC000159053454 611452493 /nfs/dbraw/zinc/45/24/93/611452493.db2.gz XEXPCCKUMBOJTH-ZDUSSCGKSA-N 0 0 332.408 0.896 10 0 ECAERN Cc1nnc([C@@H]2CN(C(=O)c3ccn(CC(F)F)n3)CCO2)[nH]1 ZINC000194220303 608607646 /nfs/dbraw/zinc/60/76/46/608607646.db2.gz CFQRMENWKRMGPN-JTQLQIEISA-N 0 0 326.307 0.788 10 0 ECAERN O=C(N[C@@H]1C[C@H](O)[C@@H]1n1cccn1)c1cnc(C(F)(F)F)nc1 ZINC000909182490 609681381 /nfs/dbraw/zinc/68/13/81/609681381.db2.gz YHSUOLQSOVKBSH-KXUCPTDWSA-N 0 0 327.266 0.796 10 0 ECAERN CCn1cc([C@H]2CN(CN3CC(=O)N(C(C)C)C3=O)CCO2)cn1 ZINC000189855448 611706948 /nfs/dbraw/zinc/70/69/48/611706948.db2.gz FCYBQIZXTQHRHN-CQSZACIVSA-N 0 0 335.408 0.906 10 0 ECAERN CNC(=O)CCNC(=O)CCn1c2ccccc2nc(N(C)C)c1=O ZINC000222864786 609705093 /nfs/dbraw/zinc/70/50/93/609705093.db2.gz ODSLYQYOLCJCFA-UHFFFAOYSA-N 0 0 345.403 0.105 10 0 ECAERN CCCS(=O)(=O)N1CCN(C(=O)c2cc3n(n2)CCCO3)CC1 ZINC000223753419 609714334 /nfs/dbraw/zinc/71/43/34/609714334.db2.gz SYYOKJYCVCIKOH-UHFFFAOYSA-N 0 0 342.421 0.163 10 0 ECAERN CCn1nc(C)c2c1cnn2CCC(=O)NCCN1CCOCC1 ZINC000223872238 609715462 /nfs/dbraw/zinc/71/54/62/609715462.db2.gz GVXCVOMAQJODFO-UHFFFAOYSA-N 0 0 334.424 0.400 10 0 ECAERN CC(C)C[C@@H]1Nc2ncnc(NCCN3CCOCC3)c2NC1=O ZINC000224012463 609716329 /nfs/dbraw/zinc/71/63/29/609716329.db2.gz JKJQJVFARIBFKJ-LBPRGKRZSA-N 0 0 334.424 0.999 10 0 ECAERN CC(C)C[C@@H]1Nc2ncnc(N[C@@H]3CCS(=O)(=O)C3)c2NC1=O ZINC000224011725 609716432 /nfs/dbraw/zinc/71/64/32/609716432.db2.gz YCNLNMCTZARTPP-ZJUUUORDSA-N 0 0 339.421 0.854 10 0 ECAERN O=S(=O)(c1c(Cl)nc2sccn21)N1CCOC[C@@H]1CO ZINC000168072603 609735868 /nfs/dbraw/zinc/73/58/68/609735868.db2.gz NPBSBJDBFMFOPL-ZETCQYMHSA-N 0 0 337.810 0.431 10 0 ECAERN O=C1[C@@H]2CC=CC[C@H]2C(=O)N1CN1CCN(c2cccnn2)CC1 ZINC000170638860 609751090 /nfs/dbraw/zinc/75/10/90/609751090.db2.gz XIUXFOYWCDWZTB-ZIAGYGMSSA-N 0 0 327.388 0.507 10 0 ECAERN O=c1oc(-c2cccs2)nn1CN1CC[C@@H](N2CCOCC2)C1 ZINC000172962358 609777348 /nfs/dbraw/zinc/77/73/48/609777348.db2.gz CEWISGOKSUAFCN-GFCCVEGCSA-N 0 0 336.417 0.929 10 0 ECAERN C[C@@H](O)CN1CCN(C(=O)c2cccnc2-n2cccn2)C[C@@H]1C ZINC000174290559 609789792 /nfs/dbraw/zinc/78/97/92/609789792.db2.gz AWVVZJNPBHAYHU-UONOGXRCSA-N 0 0 329.404 0.794 10 0 ECAERN O=C1c2ccccc2C(=O)N1CN1CCO[C@@H](Cn2cccn2)C1 ZINC000152843009 609884536 /nfs/dbraw/zinc/88/45/36/609884536.db2.gz IAZRKLKLRRXYNF-CYBMUJFWSA-N 0 0 326.356 0.838 10 0 ECAERN CC[C@H](O)[C@H]1CCCCN1C(=O)c1cn([C@@H]2COC[C@H]2OC)nn1 ZINC000912119961 609933848 /nfs/dbraw/zinc/93/38/48/609933848.db2.gz NDQCHEOFNPCKRM-APIJFGDWSA-N 0 0 338.408 0.630 10 0 ECAERN O=C(CN1CC[C@H](c2ccccc2)NC1=O)N1CCOC[C@@H]1CO ZINC000912414849 609952739 /nfs/dbraw/zinc/95/27/39/609952739.db2.gz DQTBNWSXJQFCDE-LSDHHAIUSA-N 0 0 333.388 0.363 10 0 ECAERN CN(CC(=O)N1CCN(C(=O)c2c[nH]c(=O)[nH]2)CC1)c1ccccc1 ZINC000069698171 610145013 /nfs/dbraw/zinc/14/50/13/610145013.db2.gz KAJLUXNQLAUKLC-UHFFFAOYSA-N 0 0 343.387 0.124 10 0 ECAERN CC(C)(C)[C@@]1(C)NC(=O)N(CN2CCO[C@H](Cn3cccn3)C2)C1=O ZINC000193313553 612216215 /nfs/dbraw/zinc/21/62/15/612216215.db2.gz VCBOXADYLVWZIC-GUYCJALGSA-N 0 0 349.435 0.898 10 0 ECAERN CC(=O)N1CSC[C@H]1C(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000195286407 612373373 /nfs/dbraw/zinc/37/33/73/612373373.db2.gz UJOJIWZTNQYAHC-NEPJUHHUSA-N 0 0 337.449 0.754 10 0 ECAERN O=S1(=O)CCNC[C@H]1CCNc1ncc(Br)cn1 ZINC000721717627 741562441 /nfs/dbraw/zinc/56/24/41/741562441.db2.gz RTERUUIPTRKTAK-SECBINFHSA-N 0 0 335.227 0.428 10 0 ECAERN Cc1nnc(CN2CCN(CC(=O)Nc3ccccc3)CC2)n1C ZINC000052487178 214129337 /nfs/dbraw/zinc/12/93/37/214129337.db2.gz NIUFPORROLKDGX-UHFFFAOYSA-N 0 0 328.420 0.880 10 0 ECAERN C[C@H]1CN(C(=O)c2ccc(N3CCCC3)nn2)C[C@H]1N1CCOCC1 ZINC000173878571 231059191 /nfs/dbraw/zinc/05/91/91/231059191.db2.gz WEYHHXNSYRBLAW-GOEBONIOSA-N 0 0 345.447 0.870 10 0 ECAERN Cc1cc(N2CCC[C@@H](NC(=O)Cc3cnn(C)c3)C2=O)n(C)n1 ZINC000175017856 231367351 /nfs/dbraw/zinc/36/73/51/231367351.db2.gz MDXNKSYEFVISDU-CYBMUJFWSA-N 0 0 330.392 0.316 10 0 ECAERN CC[C@H](C)NC(=O)CCNC(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000171903194 529704295 /nfs/dbraw/zinc/70/42/95/529704295.db2.gz JSOVFHLVLYVJSM-UONOGXRCSA-N 0 0 337.424 0.598 10 0 ECAERN Cc1ccc(S(=O)(=O)[C@@H](O)COCCOCCOCCO)cc1 ZINC000098090366 219083189 /nfs/dbraw/zinc/08/31/89/219083189.db2.gz LCPYCGXXFACDDQ-OAHLLOKOSA-N 0 0 348.417 0.129 10 0 ECAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)CNC(=O)c1ccccn1 ZINC000176340920 529750313 /nfs/dbraw/zinc/75/03/13/529750313.db2.gz HNVFIYQKFLEAFG-LLVKDONJSA-N 0 0 328.376 0.617 10 0 ECAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)N1CCNC(=O)[C@@H]1C(C)C ZINC000153130898 529750467 /nfs/dbraw/zinc/75/04/67/529750467.db2.gz KOUMCGACSFVHHG-YPMHNXCESA-N 0 0 334.424 0.841 10 0 ECAERN CCc1nccn1[C@H]1CCCN(C(=O)NCCN2C(=O)CCC2=O)C1 ZINC000153159817 529761143 /nfs/dbraw/zinc/76/11/43/529761143.db2.gz KXHQXZAXFBHTNQ-ZDUSSCGKSA-N 0 0 347.419 0.941 10 0 ECAERN CN1CCO[C@H](CNC(=O)C(=O)Nc2ccc(-c3cc[nH]n3)cc2)C1 ZINC000181825101 529788967 /nfs/dbraw/zinc/78/89/67/529788967.db2.gz OJIFSEDXNYMMHI-CQSZACIVSA-N 0 0 343.387 0.462 10 0 ECAERN CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1cccc2ccn(C)c21 ZINC000190567317 529923212 /nfs/dbraw/zinc/92/32/12/529923212.db2.gz HLKFXEVHZFGJRU-CYBMUJFWSA-N 0 0 328.372 0.854 10 0 ECAERN C[C@@H](c1nc(Cc2ccccc2)no1)S(=O)(=O)C[C@@H](O)CO ZINC000177672080 231954231 /nfs/dbraw/zinc/95/42/31/231954231.db2.gz ICHWYQPXADUURZ-JQWIXIFHSA-N 0 0 326.374 0.489 10 0 ECAERN CCCC(=O)N[C@@H]1CCCN([C@@H](C)c2nc(N)nc(N(C)C)n2)C1 ZINC000101564238 219137130 /nfs/dbraw/zinc/13/71/30/219137130.db2.gz YZQYKJIKGKTCHZ-NWDGAFQWSA-N 0 0 335.456 0.962 10 0 ECAERN C[C@@H](NC(=O)c1ccco1)C(=O)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000177846031 232010653 /nfs/dbraw/zinc/01/06/53/232010653.db2.gz APKXMEZWDLLHLM-LLVKDONJSA-N 0 0 345.359 0.007 10 0 ECAERN Cc1ccc([C@H](CNC(=O)Cn2cnnn2)N2CCOCC2)s1 ZINC000177970841 232045627 /nfs/dbraw/zinc/04/56/27/232045627.db2.gz SFRMLPLKKBSLGL-LBPRGKRZSA-N 0 0 336.421 0.233 10 0 ECAERN CS(=O)(=O)N1CCC(C(=O)N2CCO[C@@H]3CCCC[C@@H]32)CC1 ZINC000041117333 213419046 /nfs/dbraw/zinc/41/90/46/213419046.db2.gz XFDUYPLRQMTWRT-UONOGXRCSA-N 0 0 330.450 0.828 10 0 ECAERN O[C@H](CN1CCN(C[C@H](O)COc2ccccc2)CC1)C(F)(F)F ZINC000181692954 234288282 /nfs/dbraw/zinc/28/82/82/234288282.db2.gz HJGPMDDBICRFST-DZGCQCFKSA-N 0 0 348.365 0.967 10 0 ECAERN CN(C(=O)NCC(=O)NCC1CC1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000183797119 235229025 /nfs/dbraw/zinc/22/90/25/235229025.db2.gz CNDKWPXDMQRYME-OAHLLOKOSA-N 0 0 344.415 0.960 10 0 ECAERN CNC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1N ZINC000037270388 213137281 /nfs/dbraw/zinc/13/72/81/213137281.db2.gz ALUSBHDFEVZTTN-UHFFFAOYSA-N 0 0 336.211 0.398 10 0 ECAERN NS(=O)(=O)CCNCc1cc2c(cc1Br)OCO2 ZINC000036744726 213115596 /nfs/dbraw/zinc/11/55/96/213115596.db2.gz GJGUFZCDPDVOJQ-UHFFFAOYSA-N 0 0 337.195 0.556 10 0 ECAERN Cc1n[nH]cc1CNC(=O)[C@@H](C)NC1=NS(=O)(=O)c2ccccc21 ZINC000187606054 236257225 /nfs/dbraw/zinc/25/72/25/236257225.db2.gz APOXLNYBMWWOLR-SNVBAGLBSA-N 0 0 347.400 0.462 10 0 ECAERN NC(=O)[C@H]1COCCN1C(=O)c1cn(-c2cccc(Cl)c2)nn1 ZINC000188987339 283356591 /nfs/dbraw/zinc/35/65/91/283356591.db2.gz VNDORJTXROKRLC-GFCCVEGCSA-N 0 0 335.751 0.247 10 0 ECAERN O=C(NC1CN(C(=O)c2cn(Cc3ccccc3)nn2)C1)C1CC1 ZINC000189477872 236940209 /nfs/dbraw/zinc/94/02/09/236940209.db2.gz HAXZPUFMLHCGGX-UHFFFAOYSA-N 0 0 325.372 0.677 10 0 ECAERN C[C@H](CNC(=O)CCNC(=O)c1ccsc1)N1CCOCC1 ZINC000029959134 212687004 /nfs/dbraw/zinc/68/70/04/212687004.db2.gz UEFXPBBIMGJGQN-GFCCVEGCSA-N 0 0 325.434 0.705 10 0 ECAERN O=C(c1cccnc1)N1CCc2c(=O)[nH]c(N3CCCC3)nc2C1 ZINC000072346931 216161024 /nfs/dbraw/zinc/16/10/24/216161024.db2.gz BIJHIPBOQMBXNJ-UHFFFAOYSA-N 0 0 325.372 0.964 10 0 ECAERN COc1cc(Br)cc(C)c1NC(=O)[C@@H](N)CC(N)=O ZINC000037767025 213165658 /nfs/dbraw/zinc/16/56/58/213165658.db2.gz ITQNWTUPTFYVKW-QMMMGPOBSA-N 0 0 330.182 0.907 10 0 ECAERN CCn1cc(C2CCN(S(=O)(=O)[C@H](C)C(=O)N(C)C)CC2)cn1 ZINC000193937638 240368556 /nfs/dbraw/zinc/36/85/56/240368556.db2.gz FJZYSKLAXQJDLQ-GFCCVEGCSA-N 0 0 342.465 0.889 10 0 ECAERN Cc1nnc(-n2ccc3c(cnc4nc(-c5ccncc5)nn43)c2=O)[nH]1 ZINC000072452326 216239801 /nfs/dbraw/zinc/23/98/01/216239801.db2.gz GXBVIBVELRBAII-UHFFFAOYSA-N 0 0 345.326 0.917 10 0 ECAERN O=C(Nc1ccccc1-n1ccnn1)C(=O)N[C@@H]1CCCC[C@H]1CO ZINC000130586984 223163488 /nfs/dbraw/zinc/16/34/88/223163488.db2.gz CWGFMCBKIVDXAG-QWHCGFSZSA-N 0 0 343.387 0.873 10 0 ECAERN CN(C)C(=O)CCNC(=O)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000190299443 238370750 /nfs/dbraw/zinc/37/07/50/238370750.db2.gz MGYDGQZFRCYGSE-STQMWFEESA-N 0 0 325.434 0.944 10 0 ECAERN COC(=O)[C@@H](Cc1ccc(OC(C)=O)c(OC(C)=O)c1)NC(C)=O ZINC000022062478 212274053 /nfs/dbraw/zinc/27/40/53/212274053.db2.gz NRPLIUVQOYFSSB-CYBMUJFWSA-N 0 0 337.328 0.757 10 0 in-vitro ECAERN CCOCCO[C@@H](C)C(=O)N1CCCN(Cc2noc(C)n2)CC1 ZINC000109923450 220003296 /nfs/dbraw/zinc/00/32/96/220003296.db2.gz VBXWOOWRYZFWGY-ZDUSSCGKSA-N 0 0 340.424 0.854 10 0 ECAERN CN(CC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1)c1ncnc2nc[nH]c21 ZINC000247171577 243387477 /nfs/dbraw/zinc/38/74/77/243387477.db2.gz SQKXFRWGKIEUDA-SJCJKPOMSA-N 0 0 344.419 0.943 10 0 ECAERN CSCCCNC(=O)C[C@@H]1C(=O)NCCN1Cc1ccccn1 ZINC000019884457 212079499 /nfs/dbraw/zinc/07/94/99/212079499.db2.gz VHUOLNKKSZZRBW-CQSZACIVSA-N 0 0 336.461 0.641 10 0 ECAERN Cc1cccc(C)c1NCC(=O)N1CCO[C@@H](C[N@@H+](C)CC(=O)[O-])C1 ZINC000262948417 245265999 /nfs/dbraw/zinc/26/59/99/245265999.db2.gz OKKGPPRNEYIHRP-HNNXBMFYSA-N 0 0 349.431 0.959 10 0 ECAERN C[C@@H](Oc1ccccc1)C(=O)N1CCO[C@@H](C[N@H+](C)CC(=O)[O-])C1 ZINC000263012974 245296621 /nfs/dbraw/zinc/29/66/21/245296621.db2.gz YVDOJPRSEZHAQA-HIFRSBDPSA-N 0 0 336.388 0.698 10 0 ECAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N(C)CCn1cccn1 ZINC000110434379 220036575 /nfs/dbraw/zinc/03/65/75/220036575.db2.gz XSQRWKXTVBXXFU-ZDUSSCGKSA-N 0 0 328.438 0.546 10 0 ECAERN O=C([C@@H]1Cc2ccccc2C(=O)O1)N1CCO[C@H](Cn2cccn2)C1 ZINC000111083854 220097556 /nfs/dbraw/zinc/09/75/56/220097556.db2.gz MXNQPZPANQAQEJ-HOCLYGCPSA-N 0 0 341.367 0.892 10 0 ECAERN O=C(Cc1ccccc1)NCC(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111082101 220097585 /nfs/dbraw/zinc/09/75/85/220097585.db2.gz VWFIGYIJRJUGAP-MRXNPFEDSA-N 0 0 342.399 0.469 10 0 ECAERN Cc1nc(CN2CCC(CNC(=O)[C@H]3CNC(=O)C3)CC2)oc1C ZINC000111154820 220104220 /nfs/dbraw/zinc/10/42/20/220104220.db2.gz FPZDKEJCIKQJLE-CQSZACIVSA-N 0 0 334.420 0.756 10 0 ECAERN COC(=O)CCCc1nc(CN2CCC[C@H](n3cncn3)C2)no1 ZINC000111229516 220117645 /nfs/dbraw/zinc/11/76/45/220117645.db2.gz WDEVIKLRMXRCGW-LBPRGKRZSA-N 0 0 334.380 0.994 10 0 ECAERN Cn1cnc(S(=O)(=O)N2CCO[C@@H](Cn3cccn3)C2)c1Cl ZINC000111360581 220146187 /nfs/dbraw/zinc/14/61/87/220146187.db2.gz YLCQNJMQOUJBKR-JTQLQIEISA-N 0 0 345.812 0.360 10 0 ECAERN COCCOCCNC(=O)N1CCN(Cc2cnc(C)s2)CC1 ZINC000111828857 220199253 /nfs/dbraw/zinc/19/92/53/220199253.db2.gz ZQFXMEXJDRCOKG-UHFFFAOYSA-N 0 0 342.465 0.942 10 0 ECAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)NCC(=O)N1CCCCC1 ZINC000087057374 217709207 /nfs/dbraw/zinc/70/92/07/217709207.db2.gz QDEUJTRVAYNGPA-LBPRGKRZSA-N 0 0 334.424 0.987 10 0 ECAERN NC(=O)[C@H]1COCCN1C(=O)CCC(=O)c1ccc(F)c(F)c1 ZINC000091781368 218064807 /nfs/dbraw/zinc/06/48/07/218064807.db2.gz ZWKIQSSSPYHKRP-GFCCVEGCSA-N 0 0 326.299 0.640 10 0 ECAERN NC(=O)[C@H]1COCCN1C(=O)COc1cccc(C(F)(F)F)c1 ZINC000091781084 218065482 /nfs/dbraw/zinc/06/54/82/218065482.db2.gz LUFCBCVJZXKCMI-LLVKDONJSA-N 0 0 332.278 0.797 10 0 ECAERN CCS(=O)(=O)N1CCC[C@@]2(CCCN2C(=O)c2cn(C)cn2)C1 ZINC000096071279 218569208 /nfs/dbraw/zinc/56/92/08/218569208.db2.gz MSWGBCXRAFAEFN-OAHLLOKOSA-N 0 0 340.449 0.840 10 0 ECAERN CCn1c(C)nnc1CN1CCN(c2ccc3nncn3n2)CC1 ZINC000171558653 207651572 /nfs/dbraw/zinc/65/15/72/207651572.db2.gz LEMVGJLKEFILJC-UHFFFAOYSA-N 0 0 327.396 0.366 10 0 ECAERN C[C@H](Cc1ccc(N(C)C)cc1)NC(=O)C1CCN(CC(N)=O)CC1 ZINC000097594750 219037663 /nfs/dbraw/zinc/03/76/63/219037663.db2.gz AEWADQGWRYVEFL-CQSZACIVSA-N 0 0 346.475 0.997 10 0 ECAERN O=C(CCS(=O)(=O)C1CCCC1)N[C@H]1CCc2ncnn2C1 ZINC000112650919 220363962 /nfs/dbraw/zinc/36/39/62/220363962.db2.gz KZVLSKDVELUAIU-NSHDSACASA-N 0 0 326.422 0.457 10 0 ECAERN O=C(NCc1nncn1-c1ccccc1)N[C@H]1CCc2ncnn2C1 ZINC000112744018 220394152 /nfs/dbraw/zinc/39/41/52/220394152.db2.gz SDSXBLAFWYPHEZ-LBPRGKRZSA-N 0 0 338.375 0.673 10 0 ECAERN Cc1ccc(C(=O)NCCNC(=O)N[C@@H]2CCc3ncnn3C2)cc1 ZINC000112750279 220396586 /nfs/dbraw/zinc/39/65/86/220396586.db2.gz FBONIQGEXGJQAQ-CQSZACIVSA-N 0 0 342.403 0.631 10 0 ECAERN CC(=O)NCCNC(=O)N1CCN(Cc2c(C)nn(C)c2C)CC1 ZINC000115783849 220899037 /nfs/dbraw/zinc/89/90/37/220899037.db2.gz GAMWBVDTBURFDB-UHFFFAOYSA-N 0 0 336.440 0.000 10 0 ECAERN CCOCCN1CCN(C(=O)[C@@H]2CCCN(C(N)=O)C2)C[C@@H]1C ZINC000117276481 221042450 /nfs/dbraw/zinc/04/24/50/221042450.db2.gz POKKDOIQCQPECA-UONOGXRCSA-N 0 0 326.441 0.346 10 0 ECAERN COCCN1CCN(C(=O)CCNC(=O)Cc2ccccc2)C[C@@H]1C ZINC000117284811 221042827 /nfs/dbraw/zinc/04/28/27/221042827.db2.gz GKKKNYUHEVWGOH-INIZCTEOSA-N 0 0 347.459 0.915 10 0 ECAERN CC[C@H]1CN(C(=O)c2cccc(-n3cnnn3)c2)CCN1CCOC ZINC000117305558 221051664 /nfs/dbraw/zinc/05/16/64/221051664.db2.gz OTTPNOWXFATHKD-HNNXBMFYSA-N 0 0 344.419 0.845 10 0 ECAERN Cc1cnn(CCNC(=O)CCc2c(C)nc3nc(N)nn3c2C)c1 ZINC000117809158 221091884 /nfs/dbraw/zinc/09/18/84/221091884.db2.gz QOYXQROJZKFVNU-UHFFFAOYSA-N 0 0 342.407 0.577 10 0 ECAERN CN1CCO[C@H](CNS(=O)(=O)Cc2cccc3cccnc32)C1 ZINC000117914450 221097986 /nfs/dbraw/zinc/09/79/86/221097986.db2.gz POBIMPSCJSMISP-OAHLLOKOSA-N 0 0 335.429 0.985 10 0 ECAERN O=C(N[C@H](Cc1ccccc1)C(=O)NC(CO)CO)c1cccs1 ZINC000119603080 221357868 /nfs/dbraw/zinc/35/78/68/221357868.db2.gz HPACBWUMLWHAHV-CQSZACIVSA-N 0 0 348.424 0.559 10 0 ECAERN CC(=O)NCC(=O)N1CC[C@@H]2[C@H]1CCC(=O)N2Cc1cccc(C)n1 ZINC000253493790 257658815 /nfs/dbraw/zinc/65/88/15/257658815.db2.gz VIZZFZXRZREPGV-HZPDHXFCSA-N 0 0 344.415 0.618 10 0 ECAERN CS(=O)(=O)NC[C@@]12COC[C@@H]1CN(C(=O)Cc1ccccc1)C2 ZINC000247557396 257681005 /nfs/dbraw/zinc/68/10/05/257681005.db2.gz XSPIKQDEZVQXSU-GOEBONIOSA-N 0 0 338.429 0.253 10 0 ECAERN CN(C)c1ncccc1O[C@H]1CCN(C(=O)CCc2nnc[nH]2)C1 ZINC000328630217 258029332 /nfs/dbraw/zinc/02/93/32/258029332.db2.gz PPSBZXGFIMVQJN-LBPRGKRZSA-N 0 0 330.392 0.878 10 0 ECAERN COc1ccc(C(C)(C)C(=O)NC[C@H](O)CN2CCOCC2)cc1 ZINC000133019409 533357683 /nfs/dbraw/zinc/35/76/83/533357683.db2.gz NYSCLRMWCZADGJ-HNNXBMFYSA-N 0 0 336.432 0.782 10 0 ECAERN COCCN1C(=O)N[C@@H]2CN(c3nccn4nc(C)cc34)CC[C@@H]21 ZINC000299743534 132421230 /nfs/dbraw/zinc/42/12/30/132421230.db2.gz OBULHAJYVZXSCK-OLZOCXBDSA-N 0 0 330.392 0.657 10 0 ECAERN CCOCC(=O)N1CC[C@@]2(C1)CCC[C@H](CNS(C)(=O)=O)O2 ZINC000096207823 286023470 /nfs/dbraw/zinc/02/34/70/286023470.db2.gz RQZIXXKCXSSRJN-TZMCWYRMSA-N 0 0 334.438 0.112 10 0 ECAERN CC[C@@H](C)NC(=O)CN1CCN(Cc2c(C)nn(C)c2OC)CC1 ZINC000129113549 296661427 /nfs/dbraw/zinc/66/14/27/296661427.db2.gz MPAVCJMQZXPRGU-CYBMUJFWSA-N 0 0 337.468 0.769 10 0 ECAERN COC(=O)CCN(Cc1cccc(F)c1F)C(=O)[C@H]1CNC(=O)C1 ZINC000175483764 296722215 /nfs/dbraw/zinc/72/22/15/296722215.db2.gz DXBKFIJHVSRZND-LLVKDONJSA-N 0 0 340.326 0.993 10 0 ECAERN CC(=O)N[C@@H]1CCCN(C(=O)NCCNC(=O)c2ccccc2)C1 ZINC000079130285 164616509 /nfs/dbraw/zinc/61/65/09/164616509.db2.gz XHQUSLAEXDNFCP-OAHLLOKOSA-N 0 0 332.404 0.727 10 0 ECAERN CCCN(CCC)C(=O)CS(=O)(=O)Cc1nnc(CC)n1C ZINC000091049553 164641142 /nfs/dbraw/zinc/64/11/42/164641142.db2.gz CLHPIDZFBPWLKD-UHFFFAOYSA-N 0 0 330.454 0.941 10 0 ECAERN CC(C)CS(=O)(=O)CCC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000172753239 164848233 /nfs/dbraw/zinc/84/82/33/164848233.db2.gz JXWYPYUAUAVQHE-AWEZNQCLSA-N 0 0 332.466 0.380 10 0 ECAERN Cc1noc(C)c1S(=O)(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000176996192 164899575 /nfs/dbraw/zinc/89/95/75/164899575.db2.gz RACXGNKUUOJSAH-GXFFZTMASA-N 0 0 329.422 0.633 10 0 ECAERN Cc1noc([C@H]2COCCN2C(=O)C(=O)NCc2ccc(F)cc2)n1 ZINC000183763297 164957441 /nfs/dbraw/zinc/95/74/41/164957441.db2.gz ZFRVQJQEBTZJBM-CYBMUJFWSA-N 0 0 348.334 0.733 10 0 ECAERN COC[C@H](C)n1ccc(NC(=O)C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000188891438 165003081 /nfs/dbraw/zinc/00/30/81/165003081.db2.gz YGGNORMPMIWTSH-QWHCGFSZSA-N 0 0 335.408 0.336 10 0 ECAERN Cc1ccc2c(O)c(C(=O)N3CC(NC(=O)C4CC4)C3)cnc2n1 ZINC000189048592 165005666 /nfs/dbraw/zinc/00/56/66/165005666.db2.gz OWNXSIUCCVJTJL-UHFFFAOYSA-N 0 0 326.356 0.994 10 0 ECAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N[C@H]1CCCN(c2cccc(F)c2)C1 ZINC000189035677 165005755 /nfs/dbraw/zinc/00/57/55/165005755.db2.gz KCDFEXXBSLHNAZ-USXIJHARSA-N 0 0 349.406 0.892 10 0 ECAERN O=C(NC1CN(C(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)C1)C1CC1 ZINC000189375080 165009509 /nfs/dbraw/zinc/00/95/09/165009509.db2.gz NOEJEHYPINBZRC-VIFPVBQESA-N 0 0 333.310 0.134 10 0 ECAERN O=C(NC1CN(C(=O)NC2CCN(c3ccccn3)CC2)C1)C1CC1 ZINC000190268142 165018828 /nfs/dbraw/zinc/01/88/28/165018828.db2.gz YWVFFRHXDFEMLA-UHFFFAOYSA-N 0 0 343.431 0.970 10 0 ECAERN Cc1ccc(CNC(=O)[C@@H]2CNC(=O)C2)c(-n2cc(Cl)cn2)n1 ZINC000190328156 165019109 /nfs/dbraw/zinc/01/91/09/165019109.db2.gz PJXGSTCAAKSPGK-NSHDSACASA-N 0 0 333.779 0.981 10 0 ECAERN C[C@H]1C(=O)NCCCN1C(=O)C(=O)Nc1ccnn1-c1ccccc1 ZINC000190683049 165024172 /nfs/dbraw/zinc/02/41/72/165024172.db2.gz BEZPCESNMGMQER-LBPRGKRZSA-N 0 0 341.371 0.548 10 0 ECAERN C[C@@H]1C(=O)NCCCN1C(=O)C(=O)N1CCc2c1cccc2Cl ZINC000190670013 165024587 /nfs/dbraw/zinc/02/45/87/165024587.db2.gz KKHPIQDEBBPFBQ-SNVBAGLBSA-N 0 0 335.791 0.966 10 0 ECAERN CCn1cc([C@H]2CN(CCCN3C(=O)NC(C)(C)C3=O)CCO2)cn1 ZINC000190747670 165025583 /nfs/dbraw/zinc/02/55/83/165025583.db2.gz FUUMOMBFGWPWBY-CQSZACIVSA-N 0 0 349.435 0.997 10 0 ECAERN C[C@@H]1C(=O)NCCCN1C(=O)NCCN1C(=O)Cc2ccccc21 ZINC000191337975 165031134 /nfs/dbraw/zinc/03/11/34/165031134.db2.gz KOPWAHDVNDWHCB-GFCCVEGCSA-N 0 0 330.388 0.496 10 0 ECAERN CC(C)n1nnnc1CS(=O)(=O)CC(=O)Nc1ccccc1F ZINC000195428461 165081722 /nfs/dbraw/zinc/08/17/22/165081722.db2.gz AZECDVRGKWXUFQ-UHFFFAOYSA-N 0 0 341.368 0.947 10 0 ECAERN C[C@@H]1NC(C(=O)NC[C@H]2CCCC[C@H]2O)=NN(c2ccccc2)C1=O ZINC000246850567 165145742 /nfs/dbraw/zinc/14/57/42/165145742.db2.gz DBGIHSQVYLPLMP-GZBFAFLISA-N 0 0 344.415 0.992 10 0 ECAERN C[C@H]1CN([C@H](CNC(=O)CCNC(N)=O)c2cccs2)CCO1 ZINC000246999021 165150467 /nfs/dbraw/zinc/15/04/67/165150467.db2.gz QZSIIPJYUCWMBG-NWDGAFQWSA-N 0 0 340.449 0.685 10 0 ECAERN CCCC[C@H](NC(N)=O)C(=O)N1CCN(CCOC)[C@@H](CC)C1 ZINC000247055664 165152270 /nfs/dbraw/zinc/15/22/70/165152270.db2.gz JTRIOZZJMDRZGW-KBPBESRZSA-N 0 0 328.457 0.783 10 0 ECAERN CCn1cc(CN2CCCN(C(=O)[C@@H]3C[C@H]3C(=O)OC)CC2)cn1 ZINC000247115954 165153654 /nfs/dbraw/zinc/15/36/54/165153654.db2.gz JEQLANCIJCSUQK-HUUCEWRRSA-N 0 0 334.420 0.746 10 0 ECAERN CCn1cc([C@@H]2CN([C@H](C)C(=O)NC(=O)NC(C)C)CCO2)cn1 ZINC000248814469 165185608 /nfs/dbraw/zinc/18/56/08/165185608.db2.gz UANVVBSWPBGRAR-OCCSQVGLSA-N 0 0 337.424 0.899 10 0 ECAERN CCn1cc([C@@H]2CN([C@H]3CCN(c4cnn(C)c4)C3=O)CCO2)cn1 ZINC000248797450 165187170 /nfs/dbraw/zinc/18/71/70/165187170.db2.gz PGUTWMMQRNQURC-HOTGVXAUSA-N 0 0 344.419 0.815 10 0 ECAERN C[C@H]1OCCN[C@@H]1C(=O)NCc1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000261885292 165257019 /nfs/dbraw/zinc/25/70/19/165257019.db2.gz FTDVQLICFDAECY-KCXAZCMYSA-N 0 0 347.415 0.797 10 0 ECAERN [NH3+]C1(C(=O)N[C@@H]2CCN(C(=O)CCc3ccccc3)C2)CCOCC1 ZINC000261934914 165265641 /nfs/dbraw/zinc/26/56/41/165265641.db2.gz WRPJZWUTUMTQRY-MRXNPFEDSA-N 0 0 345.443 0.844 10 0 ECAERN Cc1cc(C)n(-c2ccc(CNC(=O)[C@H]3NCCO[C@@H]3C)cn2)n1 ZINC000262065570 165284153 /nfs/dbraw/zinc/28/41/53/165284153.db2.gz BFHBHTYXALTKQO-CJNGLKHVSA-N 0 0 329.404 0.877 10 0 ECAERN NCc1nc(CN2CCN(CC(=O)Nc3ccc(F)cc3)CC2)no1 ZINC000262183150 165304638 /nfs/dbraw/zinc/30/46/38/165304638.db2.gz IWEHWTJPMGTZIO-UHFFFAOYSA-N 0 0 348.382 0.424 10 0 ECAERN COC[C@H](N)C(=O)Nc1cnn(-c2ccccc2S(C)(=O)=O)c1 ZINC000262183019 165304711 /nfs/dbraw/zinc/30/47/11/165304711.db2.gz BRTOJAAXSDDXAA-NSHDSACASA-N 0 0 338.389 0.188 10 0 ECAERN COc1ccc(F)cc1CN1CCN(Cc2noc(CN)n2)CC1 ZINC000262236783 165314285 /nfs/dbraw/zinc/31/42/85/165314285.db2.gz ONQAOWSNOOQANU-UHFFFAOYSA-N 0 0 335.383 0.994 10 0 ECAERN CCC[C@H]([NH2+][C@H](C)C(=O)N(CCC)[C@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000262294174 165323773 /nfs/dbraw/zinc/32/37/73/165323773.db2.gz OJEZWNAMHGXZJA-AGIUHOORSA-N 0 0 348.465 0.644 10 0 ECAERN COc1ccc(C(=O)N2CCN(Cc3noc(CN)n3)CC2)cc1 ZINC000262315244 165327634 /nfs/dbraw/zinc/32/76/34/165327634.db2.gz ZOASFOMZNVUSDP-UHFFFAOYSA-N 0 0 331.376 0.495 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NS(=O)(=O)N2CCC[C@H](C)C2)C1 ZINC000262474296 165354098 /nfs/dbraw/zinc/35/40/98/165354098.db2.gz PHIPZXSPXHQICN-HIFPTAJRSA-N 0 0 333.454 0.490 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)Nc2nccc(N(C)C)n2)C1 ZINC000263095600 165415776 /nfs/dbraw/zinc/41/57/76/165415776.db2.gz TVZHUKIZUXSGFM-UHFFFAOYSA-N 0 0 336.396 0.602 10 0 ECAERN O=C(NC[C@H]1CCCC[C@H]1O)C(=O)Nc1ccc(-n2ccnn2)cc1 ZINC000158486795 225026561 /nfs/dbraw/zinc/02/65/61/225026561.db2.gz DZBDFKITBSARFP-IUODEOHRSA-N 0 0 343.387 0.873 10 0 ECAERN C[C@@H](O)CN1CCN(S(=O)(=O)Cc2ccc(Cl)nc2)C[C@@H]1C ZINC000122350372 222067858 /nfs/dbraw/zinc/06/78/58/222067858.db2.gz ZWBCADPAXGJDIL-NWDGAFQWSA-N 0 0 347.868 0.952 10 0 ECAERN Cc1ccc([C@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c2cnn(C)c2)o1 ZINC000087104794 263143713 /nfs/dbraw/zinc/14/37/13/263143713.db2.gz SOCGIEPICPIHBD-WDEREUQCSA-N 0 0 340.405 0.866 10 0 ECAERN CCC(CC)[C@H](CNC(=O)N1CC(NC(C)=O)C1)N1CCOCC1 ZINC000189757558 263163814 /nfs/dbraw/zinc/16/38/14/263163814.db2.gz GFQPTZBGCAHNQY-INIZCTEOSA-N 0 0 340.468 0.653 10 0 ECAERN CCC(CC)N1C[C@H](C(=O)NC[C@H](C)N2CCOCC2)CC1=O ZINC000192491302 263165662 /nfs/dbraw/zinc/16/56/62/263165662.db2.gz ATJRDQSJGIOTFL-UONOGXRCSA-N 0 0 325.453 0.860 10 0 ECAERN C[C@@H]1CN(C(=O)CN2CCC[C@@H]([N@H+](C)CC(=O)[O-])CC2)C[C@@H](C)O1 ZINC000262421395 263177042 /nfs/dbraw/zinc/17/70/42/263177042.db2.gz CROFCUSKMDCMTC-RBSFLKMASA-N 0 0 341.452 0.493 10 0 ECAERN NC(=O)[C@]1(O)CCCN(C(=O)c2cncc(Br)c2)C1 ZINC000285518347 264319932 /nfs/dbraw/zinc/31/99/32/264319932.db2.gz NBTZZRCOGBZQQY-LBPRGKRZSA-N 0 0 328.166 0.297 10 0 ECAERN O=C(Cn1cnc(-c2ccccc2)n1)N1CC(NC(=O)C2CC2)C1 ZINC000189383532 437596570 /nfs/dbraw/zinc/59/65/70/437596570.db2.gz FPUOYSBFKUQFRE-UHFFFAOYSA-N 0 0 325.372 0.682 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)C(=O)N2CCc3cccc(C)c32)CC1 ZINC000189451176 437598061 /nfs/dbraw/zinc/59/80/61/437598061.db2.gz ATTAKFSDQMRZIQ-INIZCTEOSA-N 0 0 345.443 0.799 10 0 ECAERN Cc1ccc(-n2cc(C(=O)N3CC(NC(=O)C4CC4)C3)nn2)cc1 ZINC000189415082 437598371 /nfs/dbraw/zinc/59/83/71/437598371.db2.gz UEIPKWJBYNLARJ-UHFFFAOYSA-N 0 0 325.372 0.926 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)C(=O)Nc2ccc(N(C)C)cc2)CC1 ZINC000189454059 437599498 /nfs/dbraw/zinc/59/94/98/437599498.db2.gz BGKIHBAEIXYTAN-MRXNPFEDSA-N 0 0 348.447 0.606 10 0 ECAERN Cc1cnn(CCNC(=O)[C@@H](C)NS(=O)(=O)c2cccs2)c1 ZINC000117817779 293002127 /nfs/dbraw/zinc/00/21/27/293002127.db2.gz YPCNSHZCLYHJLC-LLVKDONJSA-N 0 0 342.446 0.736 10 0 ECAERN C[C@@H]1CN(S(=O)(=O)N2CCCCCC2)C[C@@H]1N1CCOCC1 ZINC000176997388 297046745 /nfs/dbraw/zinc/04/67/45/297046745.db2.gz XIOYIUTVGWUWQQ-CABCVRRESA-N 0 0 331.482 0.760 10 0 ECAERN Cn1cccc(NC(=O)C(=O)N2CC[C@]3(O)CCCC[C@H]3C2)c1=O ZINC000122925196 294370182 /nfs/dbraw/zinc/37/01/82/294370182.db2.gz FSUFRWBCJSCJON-YVEFUNNKSA-N 0 0 333.388 0.477 10 0 ECAERN NC(=O)[C@H]1COCCN1C(=O)c1cc(F)cc(Br)c1 ZINC000091779084 295158737 /nfs/dbraw/zinc/15/87/37/295158737.db2.gz KUNYYPPKXHAISC-SNVBAGLBSA-N 0 0 331.141 0.915 10 0 ECAERN CC1(C)CN(C(=O)[C@@H]2CCCN2C(N)=O)C[C@@]2(CCCOC2)O1 ZINC000333249763 297121019 /nfs/dbraw/zinc/12/10/19/297121019.db2.gz KAVDDQFDVPUEEL-BLLLJJGKSA-N 0 0 325.409 0.716 10 0 ECAERN Cc1nc2c(cnn2C)c(N2CCC([C@H](O)C(=O)NC3CC3)CC2)n1 ZINC000333536506 297140640 /nfs/dbraw/zinc/14/06/40/297140640.db2.gz YWWHFYDUNXVTNA-AWEZNQCLSA-N 0 0 344.419 0.528 10 0 ECAERN COC(=O)CSc1nnc(N)n1CC(=O)NCc1ccccc1 ZINC000001923451 435960844 /nfs/dbraw/zinc/96/08/44/435960844.db2.gz XHCOXDZYBFCNAZ-UHFFFAOYSA-N 0 0 335.389 0.442 10 0 ECAERN O=C(Cn1cnnn1)N1CCc2c(=O)[nH]c(-c3ccccc3)nc2C1 ZINC000072135145 436033523 /nfs/dbraw/zinc/03/35/23/436033523.db2.gz AWKLXXDWIWFGHO-UHFFFAOYSA-N 0 0 337.343 0.008 10 0 ECAERN C[C@@H](NC(=O)c1ccco1)C(=O)NCCNC(=O)c1cccnc1 ZINC000032365616 436237767 /nfs/dbraw/zinc/23/77/67/436237767.db2.gz VZRSSXVXQQSRDS-LLVKDONJSA-N 0 0 330.344 0.339 10 0 ECAERN O=C(CSCC(=O)N[C@H]1CCSC1=O)N[C@@H]1CCSC1=O ZINC000077292161 436230948 /nfs/dbraw/zinc/23/09/48/436230948.db2.gz ZDLGRWLIZGRLAD-OCAPTIKFSA-N 0 0 348.471 0.016 10 0 in-vitro ECAERN Cn1c(Cl)c(Cl)cc1C(=O)N1CC[C@]2(C1)NC(=O)NC2=O ZINC000084795898 436386661 /nfs/dbraw/zinc/38/66/61/436386661.db2.gz KTRPYQMNEZOFAM-GFCCVEGCSA-N 0 0 331.159 0.756 10 0 ECAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)NCC(=O)NCC(F)(F)F ZINC000087060063 436397317 /nfs/dbraw/zinc/39/73/17/436397317.db2.gz XPBRZUVQPBVLPQ-QMMMGPOBSA-N 0 0 348.329 0.653 10 0 ECAERN Cc1ccccc1[C@H](C)NC(=O)CNS(=O)(=O)c1cn(C)cn1 ZINC000088565913 436403334 /nfs/dbraw/zinc/40/33/34/436403334.db2.gz NUGOCLWMEZGVAC-LBPRGKRZSA-N 0 0 336.417 0.884 10 0 ECAERN CCCCCNC(=O)[C@H](C)S(=O)(=O)Cc1nnc(CC)n1C ZINC000091049696 436438961 /nfs/dbraw/zinc/43/89/61/436438961.db2.gz FDEFARUEKGKKPR-NSHDSACASA-N 0 0 330.454 0.987 10 0 ECAERN NC(=O)[C@H]1COCCN1C(=O)Cc1cccc(OCC(F)(F)F)c1 ZINC000091781472 436460206 /nfs/dbraw/zinc/46/02/06/436460206.db2.gz JKFOTMWXLNVQSL-GFCCVEGCSA-N 0 0 346.305 0.883 10 0 ECAERN Cc1cc(C)n(-c2ccc(C(=O)N3CCOC[C@H]3C(N)=O)cc2F)n1 ZINC000091779729 436460783 /nfs/dbraw/zinc/46/07/83/436460783.db2.gz OXCMRCVTCQHDKV-HNNXBMFYSA-N 0 0 346.362 0.955 10 0 ECAERN CCCc1cc(NC(=O)C(=O)NC[C@@H](C)N2CCOCC2)n(C)n1 ZINC000093192739 436484399 /nfs/dbraw/zinc/48/43/99/436484399.db2.gz BVROWBGWTPYUBA-GFCCVEGCSA-N 0 0 337.424 0.148 10 0 ECAERN O=C(CN1CCC(Nc2cccnn2)CC1)NCC(=O)N1CCCC1 ZINC000105805309 436577375 /nfs/dbraw/zinc/57/73/75/436577375.db2.gz AMQQRNFALUXGIX-UHFFFAOYSA-N 0 0 346.435 0.092 10 0 ECAERN Cc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000097013038 436535963 /nfs/dbraw/zinc/53/59/63/436535963.db2.gz ZHXJFUMXQFVVBS-LLVKDONJSA-N 0 0 348.388 0.570 10 0 ECAERN CN1CCO[C@@H](CNC(=O)N2CCN(C(=O)c3ccco3)CC2)C1 ZINC000104797554 436563307 /nfs/dbraw/zinc/56/33/07/436563307.db2.gz YYSMOTASDYMVIB-ZDUSSCGKSA-N 0 0 336.392 0.078 10 0 ECAERN CN1CCO[C@@H](CNC(=O)NCCCNC(=O)c2cccs2)C1 ZINC000104798000 436563670 /nfs/dbraw/zinc/56/36/70/436563670.db2.gz XSCOPGXYECXJQQ-LBPRGKRZSA-N 0 0 340.449 0.498 10 0 ECAERN CCCS(=O)(=O)CC(=O)N1CCCN(c2cccnn2)CC1 ZINC000105811379 436579839 /nfs/dbraw/zinc/57/98/39/436579839.db2.gz WCEBCAVEGGGKLR-UHFFFAOYSA-N 0 0 326.422 0.340 10 0 ECAERN C[C@H](CNC(=O)N[C@@H](C)[C@@H](C)N1CCOCC1)N1CCOCC1 ZINC000105124178 436569461 /nfs/dbraw/zinc/56/94/61/436569461.db2.gz FKDXEYCOIBJCLV-QLFBSQMISA-N 0 0 328.457 0.116 10 0 ECAERN CCS(=O)(=O)NCCN1CCC(N(C)c2cccnn2)CC1 ZINC000109328724 436624949 /nfs/dbraw/zinc/62/49/49/436624949.db2.gz QTBYICSPIUNCTM-UHFFFAOYSA-N 0 0 327.454 0.317 10 0 ECAERN CCc1nccn1[C@H]1CCCN(C(=O)CN2C(=O)CN(C)C2=O)C1 ZINC000105851777 436581931 /nfs/dbraw/zinc/58/19/31/436581931.db2.gz WACIXKWRVWLJNQ-LBPRGKRZSA-N 0 0 333.392 0.503 10 0 ECAERN C[C@@H](C(=O)NC(=O)NC1CC1)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000105869561 436582754 /nfs/dbraw/zinc/58/27/54/436582754.db2.gz VOJOPUWVVGYUJG-ZDUSSCGKSA-N 0 0 348.451 0.305 10 0 ECAERN Cn1cc(CN2CCCN(CC(=O)Nc3nncs3)CC2)cn1 ZINC000105869835 436583742 /nfs/dbraw/zinc/58/37/42/436583742.db2.gz IJDCRTPUVATDTA-UHFFFAOYSA-N 0 0 335.437 0.418 10 0 ECAERN COc1cccc(CNC(=O)CN2CCO[C@H](Cn3cccn3)C2)c1 ZINC000105889408 436584914 /nfs/dbraw/zinc/58/49/14/436584914.db2.gz VUXUZCMILDSUNX-KRWDZBQOSA-N 0 0 344.415 0.909 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)Cc2cc3ccccc3[nH]c2=O)CC1 ZINC000106395313 436593726 /nfs/dbraw/zinc/59/37/26/436593726.db2.gz LEOYQXWDVWVBHI-MRXNPFEDSA-N 0 0 343.427 0.986 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)c2cn(Cc3ccccc3)nn2)CC1 ZINC000106395918 436594057 /nfs/dbraw/zinc/59/40/57/436594057.db2.gz LRYRDEWVXCTYNU-MRXNPFEDSA-N 0 0 343.431 0.855 10 0 ECAERN COCCCN(Cc1ccncc1)C(=O)NC[C@H]1CN(C)CCO1 ZINC000106561333 436598881 /nfs/dbraw/zinc/59/88/81/436598881.db2.gz RCYMPQZHGHYHGA-INIZCTEOSA-N 0 0 336.436 0.960 10 0 ECAERN O=C(c1cccc(-n2cnnn2)c1)N1CCO[C@H](Cn2cccn2)C1 ZINC000111086155 436628964 /nfs/dbraw/zinc/62/89/64/436628964.db2.gz DBJWQLKTIAPUTN-HNNXBMFYSA-N 0 0 339.359 0.400 10 0 ECAERN COC(=O)[C@@H](CC(C)C)NC(=O)CN1CC[C@H](c2cnn(C)c2)C1 ZINC000116320083 436649608 /nfs/dbraw/zinc/64/96/08/436649608.db2.gz GBNHIQVRXRYCCP-DZGCQCFKSA-N 0 0 336.436 0.913 10 0 ECAERN CCn1c(N)c(C(=O)CN2CCC[C@H]2c2ccco2)c(=O)[nH]c1=O ZINC000116291468 436649672 /nfs/dbraw/zinc/64/96/72/436649672.db2.gz PONIQHRJJXRAML-JTQLQIEISA-N 0 0 332.360 0.752 10 0 ECAERN C[C@@H](NC(=O)c1ccc2c(c1)C(=O)NC2=O)c1nnc2n1CCCC2 ZINC000150970928 436693327 /nfs/dbraw/zinc/69/33/27/436693327.db2.gz KOLDTOYOFPJBIR-SECBINFHSA-N 0 0 339.355 0.989 10 0 ECAERN O=C(Nc1ccn(Cc2ccccc2)n1)C(=O)N1CCC[C@@H]1CO ZINC000121123171 436707914 /nfs/dbraw/zinc/70/79/14/436707914.db2.gz IIXVBPCHFNNWIR-CQSZACIVSA-N 0 0 328.372 0.853 10 0 ECAERN Cn1nccc1[C@@H]1OCC[C@H]1CNS(=O)(=O)c1ccnn1C ZINC000225548077 436711989 /nfs/dbraw/zinc/71/19/89/436711989.db2.gz QSOHXBLNRDJKCK-GXFFZTMASA-N 0 0 325.394 0.210 10 0 ECAERN Cc1ccc(N2CCCN(C[C@@H](C)CS(C)(=O)=O)CC2)nn1 ZINC000118968798 436663892 /nfs/dbraw/zinc/66/38/92/436663892.db2.gz LDYNGOPGDAJTDR-CYBMUJFWSA-N 0 0 326.466 0.978 10 0 ECAERN CC(=O)NC1CN(C(=O)C(=O)Nc2cnn(C3CCCC3)c2C)C1 ZINC000194378933 436664626 /nfs/dbraw/zinc/66/46/26/436664626.db2.gz JWSHSYUIYIXZJC-UHFFFAOYSA-N 0 0 333.392 0.592 10 0 ECAERN CC(=O)NC1CN(C(=O)C(=O)Nc2ccc(C(F)(F)F)cn2)C1 ZINC000194378949 436664771 /nfs/dbraw/zinc/66/47/71/436664771.db2.gz BUGCRLMEYCYRJL-UHFFFAOYSA-N 0 0 330.266 0.386 10 0 ECAERN O=C(NC[C@@H](O)CN1CCOCC1)Nc1ccccc1-n1cccn1 ZINC000119999077 436676818 /nfs/dbraw/zinc/67/68/18/436676818.db2.gz OMMSAICRNPVMIR-CQSZACIVSA-N 0 0 345.403 0.687 10 0 ECAERN CC(C)C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1cccc(C(N)=O)c1 ZINC000121841582 436726746 /nfs/dbraw/zinc/72/67/46/436726746.db2.gz NLCUMTDGQHDLHX-AWEZNQCLSA-N 0 0 334.420 0.817 10 0 ECAERN O=C(CCOc1cccc(Cl)c1)NC[C@H](O)CN1CCOCC1 ZINC000123560860 436741040 /nfs/dbraw/zinc/74/10/40/436741040.db2.gz QAXCZNOMZUAPBH-AWEZNQCLSA-N 0 0 342.823 0.918 10 0 ECAERN Cn1nccc1C1CCN(C(=O)Cn2nc3ccccn3c2=O)CC1 ZINC000124334667 436747610 /nfs/dbraw/zinc/74/76/10/436747610.db2.gz FNGDJXRANWHFCB-UHFFFAOYSA-N 0 0 340.387 0.636 10 0 ECAERN CN(CC(C)(C)O)C(=O)[C@@H]1CCC[C@@H]1C(=O)N(C)CC(C)(C)O ZINC000127905176 436808176 /nfs/dbraw/zinc/80/81/76/436808176.db2.gz OWBVEDFJVSQGPW-BETUJISGSA-N 0 0 328.453 0.861 10 0 ECAERN CNc1cc(N2CCC[C@H]2CNC(=O)NCc2ncn(C)n2)ncn1 ZINC000128002811 436809448 /nfs/dbraw/zinc/80/94/48/436809448.db2.gz XQLVMSNHINUTOY-NSHDSACASA-N 0 0 345.411 0.115 10 0 ECAERN C[C@@H](CCOc1ccccc1)C(=O)NC[C@@H](O)CN1CCOCC1 ZINC000128121517 436812049 /nfs/dbraw/zinc/81/20/49/436812049.db2.gz GTTQIRLSYSASEO-JKSUJKDBSA-N 0 0 336.432 0.901 10 0 ECAERN CCN(CC)S(=O)(=O)N(C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000128400158 436814969 /nfs/dbraw/zinc/81/49/69/436814969.db2.gz OLDJNVIYOHPCJY-CYBMUJFWSA-N 0 0 327.454 0.964 10 0 ECAERN O=C(CN1C(=O)NC2(CCCC2)C1=O)N1CCC(c2cc[nH]n2)CC1 ZINC000125838661 436779219 /nfs/dbraw/zinc/77/92/19/436779219.db2.gz VZWXNVUPEMZVPP-UHFFFAOYSA-N 0 0 345.403 0.980 10 0 ECAERN COCCN1CCN(C(=O)C(=O)Nc2ccc(Cl)nc2)C[C@@H]1C ZINC000126225109 436783396 /nfs/dbraw/zinc/78/33/96/436783396.db2.gz BXLUCTMCUAXAIQ-NSHDSACASA-N 0 0 340.811 0.853 10 0 ECAERN CC[C@H]1CN(C(=O)C(=O)Nc2cc(C)nn2C)CCN1CCOC ZINC000126250344 436785477 /nfs/dbraw/zinc/78/54/77/436785477.db2.gz RGPNZABAKZTTFW-ZDUSSCGKSA-N 0 0 337.424 0.236 10 0 ECAERN NC(=O)[C@H]1COCCN1S(=O)(=O)c1ccccc1Br ZINC000126604394 436788995 /nfs/dbraw/zinc/78/89/95/436788995.db2.gz OSRXYNXLZBPDSI-SECBINFHSA-N 0 0 349.206 0.324 10 0 ECAERN COCc1nc2n(n1)CCC[C@@H]2n1c(=O)[nH]c2ccccc2c1=O ZINC000155494958 436796813 /nfs/dbraw/zinc/79/68/13/436796813.db2.gz XUXAOPFFYCEDKD-LBPRGKRZSA-N 0 0 327.344 0.811 10 0 ECAERN CC(C)CS(=O)(=O)CCC(=O)N1CCC[C@@H](Cn2cncn2)C1 ZINC000127115078 436796917 /nfs/dbraw/zinc/79/69/17/436796917.db2.gz XZQYEIZPNJFLDB-CQSZACIVSA-N 0 0 342.465 0.978 10 0 ECAERN C[C@@H](NC(=O)CN(C)[C@H](C)c1cnn(C)c1)C(=O)N1CCCCC1 ZINC000252830524 436839395 /nfs/dbraw/zinc/83/93/95/436839395.db2.gz AFHSWEIZSSVBQA-ZIAGYGMSSA-N 0 0 335.452 0.930 10 0 ECAERN C[C@H](NC(=O)NC[C@@H]1CN(C)CCO1)c1cn(-c2ccccc2)nn1 ZINC000158964645 436851882 /nfs/dbraw/zinc/85/18/82/436851882.db2.gz HHACWAOUEHQYAG-DZGCQCFKSA-N 0 0 344.419 0.958 10 0 ECAERN C[C@@H](NC(=O)NC[C@H]1CN(C)CCO1)c1cn(-c2ccccc2)nn1 ZINC000158965054 436852432 /nfs/dbraw/zinc/85/24/32/436852432.db2.gz HHACWAOUEHQYAG-HIFRSBDPSA-N 0 0 344.419 0.958 10 0 ECAERN COC(=O)Cc1cccc(C(=O)N2CCN(C[C@H](C)O)[C@@H](C)C2)c1 ZINC000249599083 436824870 /nfs/dbraw/zinc/82/48/70/436824870.db2.gz XRCQPTZTAWKYKF-KBPBESRZSA-N 0 0 334.416 0.929 10 0 ECAERN COC(=O)Cn1cc(CC[N@@H+]2CC[C@@H](Oc3cccnc3)C2)nn1 ZINC000157271887 436826306 /nfs/dbraw/zinc/82/63/06/436826306.db2.gz XGWFSVUDUMFXEX-OAHLLOKOSA-N 0 0 331.376 0.542 10 0 ECAERN Cc1nnc([C@@H]2CN(C(=O)c3ncn(-c4ccccc4)n3)CCO2)[nH]1 ZINC000157970753 436836018 /nfs/dbraw/zinc/83/60/18/436836018.db2.gz STYFGMZNMJFRDK-ZDUSSCGKSA-N 0 0 339.359 0.908 10 0 ECAERN O=C(Nc1ccc(F)nc1)C(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000163483374 436924239 /nfs/dbraw/zinc/92/42/39/436924239.db2.gz KDLDFZPBUKUMTB-LBPRGKRZSA-N 0 0 333.323 0.283 10 0 ECAERN CCC(=O)N1CC[C@@H](NC(=O)N2CCN(Cc3ccon3)CC2)C1 ZINC000135111485 436910439 /nfs/dbraw/zinc/91/04/39/436910439.db2.gz WQYKNUXZWOIUBE-CYBMUJFWSA-N 0 0 335.408 0.513 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)N2CCC[C@H]2CC(=O)OC)C1 ZINC000263491484 436968250 /nfs/dbraw/zinc/96/82/50/436968250.db2.gz RHUFOXMHGNWORZ-CPCZMJQVSA-N 0 0 341.408 0.661 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)N2CCOC[C@H]2C2CC2)C1 ZINC000263504172 436969015 /nfs/dbraw/zinc/96/90/15/436969015.db2.gz WMPQEBHOBYLZGC-RUXDESIVSA-N 0 0 325.409 0.744 10 0 ECAERN COc1ccc(-n2nnc(C(=O)NC[C@H]3CN(C)CCO3)c2C)cc1 ZINC000171288368 436976021 /nfs/dbraw/zinc/97/60/21/436976021.db2.gz FAJDQGZUSDDGEZ-HNNXBMFYSA-N 0 0 345.403 0.645 10 0 ECAERN O=C(CN1CCO[C@@H]2CCCC[C@@H]21)N1CCN(c2cnccn2)CC1 ZINC000166164579 436937958 /nfs/dbraw/zinc/93/79/58/436937958.db2.gz KCMMXLUUACOSMU-JKSUJKDBSA-N 0 0 345.447 0.769 10 0 ECAERN O=C(Cc1ccccc1)NCC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000172748719 437027671 /nfs/dbraw/zinc/02/76/71/437027671.db2.gz WNAYWRBDEHEKME-INIZCTEOSA-N 0 0 331.416 0.278 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1ccc(-n3cnnn3)cc1)CC2 ZINC000172257597 437004573 /nfs/dbraw/zinc/00/45/73/437004573.db2.gz JZRYVIXXGHVCNC-LBPRGKRZSA-N 0 0 338.375 0.561 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)Nc2cnn(CCOC)c2)CC1 ZINC000172318809 437009182 /nfs/dbraw/zinc/00/91/82/437009182.db2.gz CNSDCYSSEMXHIA-AWEZNQCLSA-N 0 0 325.413 0.450 10 0 ECAERN CN(C)c1ncccc1O[C@@H]1CCN(C(=O)c2nccnc2N)C1 ZINC000275764684 437011075 /nfs/dbraw/zinc/01/10/75/437011075.db2.gz XFESKKSDQXFVPK-LLVKDONJSA-N 0 0 328.376 0.813 10 0 ECAERN CC(C)C(=O)NCCNC(=O)N(C)[C@H]1CCCN(c2cccnn2)C1 ZINC000172436627 437014517 /nfs/dbraw/zinc/01/45/17/437014517.db2.gz ZEAHAWIOFOZIEI-AWEZNQCLSA-N 0 0 348.451 0.859 10 0 ECAERN CC(C)(C)C(=O)Cn1cc(C(=O)N2CC[C@H](N3CCOCC3)C2)nn1 ZINC000173329993 437044704 /nfs/dbraw/zinc/04/47/04/437044704.db2.gz JXRZOVXUFSHXEN-ZDUSSCGKSA-N 0 0 349.435 0.440 10 0 ECAERN CC[C@@H](C(=O)N1CCCN(Cc2noc(C)n2)CC1)N1CCCC1=O ZINC000173287881 437045233 /nfs/dbraw/zinc/04/52/33/437045233.db2.gz VYZGJYLASQTNMN-AWEZNQCLSA-N 0 0 349.435 0.813 10 0 ECAERN CCC(CC)[C@@H](C(=O)NC[C@@H]1CN(C)CCO1)N1CCOCC1 ZINC000173337762 437046743 /nfs/dbraw/zinc/04/67/43/437046743.db2.gz MYNSXNTVKUKFDG-CVEARBPZSA-N 0 0 327.469 0.570 10 0 ECAERN CN1CCO[C@H](CNC(=O)C2CCN(C(=O)c3ccccc3)CC2)C1 ZINC000173337976 437046763 /nfs/dbraw/zinc/04/67/63/437046763.db2.gz BDVYTFJMRXMORG-QGZVFWFLSA-N 0 0 345.443 0.986 10 0 ECAERN Cn1cc(S(=O)(=O)NCCN2CCCC[C@H]2c2cn[nH]c2)cn1 ZINC000173401188 437047911 /nfs/dbraw/zinc/04/79/11/437047911.db2.gz YPIPZWDPHXFIKX-AWEZNQCLSA-N 0 0 338.437 0.649 10 0 ECAERN Cc1nc(SCC(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)n[nH]1 ZINC000173417543 437049046 /nfs/dbraw/zinc/04/90/46/437049046.db2.gz DWMCBBUNOBUJGD-JQWIXIFHSA-N 0 0 325.438 0.384 10 0 ECAERN O=C(CCNC(=O)N1CC[C@H](N2CCOCC2)C1)N1CCCCC1 ZINC000173779451 437063672 /nfs/dbraw/zinc/06/36/72/437063672.db2.gz AWMSAMAFAKGECS-HNNXBMFYSA-N 0 0 338.452 0.505 10 0 ECAERN O=C(CN1CC[C@H](N2CCOCC2)C1)NC(=O)NCc1ccco1 ZINC000173934019 437069220 /nfs/dbraw/zinc/06/92/20/437069220.db2.gz YRLQYLQNCJLZHN-ZDUSSCGKSA-N 0 0 336.392 0.012 10 0 ECAERN CO[C@H]1C[C@@H](C(N)=O)N(C(=O)c2ccn(-c3ccc(F)cc3)n2)C1 ZINC000284759069 437069662 /nfs/dbraw/zinc/06/96/62/437069662.db2.gz GBCZQOBYISUDSO-JSGCOSHPSA-N 0 0 332.335 0.726 10 0 ECAERN Cc1nn(C)c(C)c1S(=O)(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000174000921 437072627 /nfs/dbraw/zinc/07/26/27/437072627.db2.gz OXIXRXLPSXAMHO-ZDUSSCGKSA-N 0 0 328.438 0.132 10 0 ECAERN O=C(Nc1cc(F)ccc1F)C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000174010201 437072771 /nfs/dbraw/zinc/07/27/71/437072771.db2.gz ZRCQWYNPRFYSBI-GFCCVEGCSA-N 0 0 339.342 0.836 10 0 ECAERN O=C(Nc1c(F)cccc1F)C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000174008576 437073023 /nfs/dbraw/zinc/07/30/23/437073023.db2.gz BPNJMHODUWFYSQ-NSHDSACASA-N 0 0 339.342 0.836 10 0 ECAERN CCCCCS(=O)(=O)CC(=O)N1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000174287600 437077521 /nfs/dbraw/zinc/07/75/21/437077521.db2.gz JAICANGUWVRXNM-ZIAGYGMSSA-N 0 0 334.482 0.505 10 0 ECAERN CC1(C)CN(CCNC(=O)N2CCC[C@@H](n3cncn3)C2)CCO1 ZINC000174549530 437083067 /nfs/dbraw/zinc/08/30/67/437083067.db2.gz LTOZMICJSRLAEG-CQSZACIVSA-N 0 0 336.440 0.735 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)NC[C@@](C)(O)c1ccco1)CC2 ZINC000174965537 437092806 /nfs/dbraw/zinc/09/28/06/437092806.db2.gz CFSCOMRFGFKEEE-BDJLRTHQSA-N 0 0 333.392 0.955 10 0 ECAERN CC(C)NC(=O)CCNC(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000175653792 437112699 /nfs/dbraw/zinc/11/26/99/437112699.db2.gz LVVOTYYQVBOXTH-KBPBESRZSA-N 0 0 326.441 0.263 10 0 ECAERN C[C@H](NC(=O)CNS(=O)(=O)c1cn(C)cn1)c1cccs1 ZINC000176438384 437143963 /nfs/dbraw/zinc/14/39/63/437143963.db2.gz KHSRWKQPSHOHHH-VIFPVBQESA-N 0 0 328.419 0.637 10 0 ECAERN CC[C@H](NC(=O)N(C)C[C@H]1CCC[N@@H+]1CC)C(=O)N1CCOCC1 ZINC000176623525 437150565 /nfs/dbraw/zinc/15/05/65/437150565.db2.gz OFVQWEZWLYGUBX-CABCVRRESA-N 0 0 340.468 0.750 10 0 ECAERN Cc1cc(C)n(C[C@H]2CN(C(=O)[C@@H](C)CS(C)(=O)=O)CCO2)n1 ZINC000176806122 437156961 /nfs/dbraw/zinc/15/69/61/437156961.db2.gz ADSBHURKSBLDCY-SMDDNHRTSA-N 0 0 343.449 0.408 10 0 ECAERN Cc1cc(C)n(C[C@H]2CN(C(=O)[C@H](C)CS(C)(=O)=O)CCO2)n1 ZINC000176806147 437157867 /nfs/dbraw/zinc/15/78/67/437157867.db2.gz ADSBHURKSBLDCY-BXUZGUMPSA-N 0 0 343.449 0.408 10 0 ECAERN CC(C)n1nnnc1CN1CCCc2ccc(S(N)(=O)=O)cc21 ZINC000176993940 437163867 /nfs/dbraw/zinc/16/38/67/437163867.db2.gz MDPUTZQKYMDVAK-UHFFFAOYSA-N 0 0 336.421 0.854 10 0 ECAERN COC[C@@H](C)N1CCN(c2cnn(C)c(=O)c2Br)CC1 ZINC000301220032 437114638 /nfs/dbraw/zinc/11/46/38/437114638.db2.gz AETUZJHAHCTKJK-SNVBAGLBSA-N 0 0 345.241 0.700 10 0 ECAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)NCCN1CCOC(C)(C)C1 ZINC000175741558 437116420 /nfs/dbraw/zinc/11/64/20/437116420.db2.gz BTCRKUAIPPCJCR-CYBMUJFWSA-N 0 0 336.440 0.831 10 0 ECAERN Cc1nn(C)c(C)c1CNC(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000175828505 437121330 /nfs/dbraw/zinc/12/13/30/437121330.db2.gz GGLKMVRFLAOZJV-WBMJQRKESA-N 0 0 335.452 0.899 10 0 ECAERN COc1cc2nc(NC[C@@H]3CN4CCN3CC4)nc(N)c2cc1OC ZINC000301803431 437129809 /nfs/dbraw/zinc/12/98/09/437129809.db2.gz XITGBMXUOLUMDA-LLVKDONJSA-N 0 0 344.419 0.641 10 0 ECAERN C[C@@H]1CN(C(=O)NCCCN2CCCC2=O)C[C@@H]1N1CCOCC1 ZINC000177297349 437177930 /nfs/dbraw/zinc/17/79/30/437177930.db2.gz MGMKHFGHZSFUQH-CABCVRRESA-N 0 0 338.452 0.361 10 0 ECAERN Cc1cc(CN2CCN(C(=O)N[C@@H]3CCCn4ncnc43)CC2)no1 ZINC000177315881 437179247 /nfs/dbraw/zinc/17/92/47/437179247.db2.gz TXGTWEJUFXGHNO-CQSZACIVSA-N 0 0 345.407 0.937 10 0 ECAERN Cn1cc([C@@H]2CCCN2C(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)cn1 ZINC000178203293 437207708 /nfs/dbraw/zinc/20/77/08/437207708.db2.gz ZCOJDTRIODEOJN-RISCZKNCSA-N 0 0 328.376 0.860 10 0 ECAERN CNC(=O)[C@H](NC(=O)N1CCC(N2CCCCC2=O)CC1)C(C)C ZINC000178413646 437214213 /nfs/dbraw/zinc/21/42/13/437214213.db2.gz QHFNYTKAXASCHA-OAHLLOKOSA-N 0 0 338.452 0.944 10 0 ECAERN CNC(=O)[C@H](NC(=O)N[C@H]1CCCN(c2cnn(C)c2)C1)C(C)C ZINC000178411768 437214452 /nfs/dbraw/zinc/21/44/52/437214452.db2.gz BVMFORLIMOOFDA-GXTWGEPZSA-N 0 0 336.440 0.459 10 0 ECAERN CNC(=O)[C@H](NC(=O)c1c[nH]c(=O)c(Br)c1)C(C)C ZINC000178674279 437223444 /nfs/dbraw/zinc/22/34/44/437223444.db2.gz WEGIHTCMYSHIOW-SECBINFHSA-N 0 0 330.182 0.638 10 0 ECAERN CNC(=O)[C@H](NC(=O)c1ccc(C)c(S(C)(=O)=O)c1)C(C)C ZINC000178699347 437224369 /nfs/dbraw/zinc/22/43/69/437224369.db2.gz NORIARDILGQCEE-CYBMUJFWSA-N 0 0 326.418 0.899 10 0 ECAERN COCCn1cc(C[C@@H]2NC(=O)N(CCc3ccccc3)C2=O)nn1 ZINC000328613278 437238766 /nfs/dbraw/zinc/23/87/66/437238766.db2.gz RKQGMMUWJBFSNK-HNNXBMFYSA-N 0 0 343.387 0.835 10 0 ECAERN CCN1CCN(S(=O)(=O)CC[C@@H]2CCCO2)C[C@@H]1c1ncc[nH]1 ZINC000328630454 437241956 /nfs/dbraw/zinc/24/19/56/437241956.db2.gz PWDIIBDJNGUVNZ-UONOGXRCSA-N 0 0 342.465 0.987 10 0 ECAERN CCN1C[C@@H](C(=O)N2CCN(CC)[C@@H](c3nccn3C)C2)CC1=O ZINC000328634594 437244408 /nfs/dbraw/zinc/24/44/08/437244408.db2.gz UFVSOZVJZVXQIS-UONOGXRCSA-N 0 0 333.436 0.494 10 0 ECAERN Cc1cc(N2CCO[C@@H](CN(C)c3nccn(C)c3=O)C2)nnc1C ZINC000328644054 437247253 /nfs/dbraw/zinc/24/72/53/437247253.db2.gz RPCAJMOBDQYPDS-AWEZNQCLSA-N 0 0 344.419 0.529 10 0 ECAERN CNC(=O)c1ccc(N2CCN(C[C@@H](O)c3ccccc3)CC2)nn1 ZINC000266857831 437256594 /nfs/dbraw/zinc/25/65/94/437256594.db2.gz VHYHPSNRTLMFEA-MRXNPFEDSA-N 0 0 341.415 0.692 10 0 ECAERN COCCCOCC(=O)N1CCO[C@H](Cn2nc(C)cc2C)C1 ZINC000180626888 437296033 /nfs/dbraw/zinc/29/60/33/437296033.db2.gz CHDNIENULSTOAR-HNNXBMFYSA-N 0 0 325.409 0.780 10 0 ECAERN CC1(Cn2cc(C(=O)N3CCO[C@H](Cn4cccn4)C3)nn2)COC1 ZINC000184816177 437414128 /nfs/dbraw/zinc/41/41/28/437414128.db2.gz GYHQVRLEUOZRDC-ZDUSSCGKSA-N 0 0 346.391 0.052 10 0 ECAERN O=C(Nc1ccccc1)c1nnc(CN2C[C@@H](O)C[C@@H]2CO)s1 ZINC000185140813 437426514 /nfs/dbraw/zinc/42/65/14/437426514.db2.gz JUKGAHNTGMZMEW-NEPJUHHUSA-N 0 0 334.401 0.718 10 0 ECAERN CC(C)c1ccc(OCCNC(=O)CN2C[C@H](O)C[C@@H]2CO)cc1 ZINC000185143079 437428202 /nfs/dbraw/zinc/42/82/02/437428202.db2.gz HPRYMRHOKSLWRU-HZPDHXFCSA-N 0 0 336.432 0.733 10 0 ECAERN CCCC(=O)NC[C@H]1CCCN(C(=O)NCC(=O)NCC2CC2)C1 ZINC000183799774 437390609 /nfs/dbraw/zinc/39/06/09/437390609.db2.gz KPAQBNUDCJOCBQ-CQSZACIVSA-N 0 0 338.452 0.851 10 0 ECAERN CC[C@@H]1CN(C(=O)Cc2nnc(NC)s2)CC[N@@H+]1C[C@@H](C)O ZINC000183804018 437391643 /nfs/dbraw/zinc/39/16/43/437391643.db2.gz KTBQSGLSZWUNJP-GHMZBOCLSA-N 0 0 327.454 0.426 10 0 ECAERN Cc1cc(N2CCC[C@H](NC(=O)NC3(CO)CCC3)C2=O)n(C)n1 ZINC000186343655 437470978 /nfs/dbraw/zinc/47/09/78/437470978.db2.gz IBQIUPMOPQXVGY-LBPRGKRZSA-N 0 0 335.408 0.438 10 0 ECAERN COCC(=O)NC1CN(C(=O)COc2ccc3c(c2)CCCC3)C1 ZINC000185221802 437432982 /nfs/dbraw/zinc/43/29/82/437432982.db2.gz ISRCEHUYXDNFRL-UHFFFAOYSA-N 0 0 332.400 0.918 10 0 ECAERN COCC(=O)NC1CN(C(=O)Cc2c(C)nn(CC(C)C)c2C)C1 ZINC000185217352 437433031 /nfs/dbraw/zinc/43/30/31/437433031.db2.gz GDYDQRIHNUHMJT-UHFFFAOYSA-N 0 0 336.436 0.672 10 0 ECAERN COCC(=O)NC1CN(C(=O)NCCCCc2nc(C)cs2)C1 ZINC000185347318 437436458 /nfs/dbraw/zinc/43/64/58/437436458.db2.gz MCSFELHCXXPVJN-UHFFFAOYSA-N 0 0 340.449 0.931 10 0 ECAERN CCc1nc(CCNC(=O)N2CC(NC(=O)COC)C2)cs1 ZINC000185336199 437436463 /nfs/dbraw/zinc/43/64/63/437436463.db2.gz CLYRTBDVGZKSIY-UHFFFAOYSA-N 0 0 326.422 0.404 10 0 ECAERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(C(F)(F)F)nc1 ZINC000187312036 437497098 /nfs/dbraw/zinc/49/70/98/437497098.db2.gz BURYEVPGMDYASA-VIFPVBQESA-N 0 0 344.293 0.776 10 0 ECAERN C[C@H](NC(=O)N1CC(NC(=O)C2CC2)C1)c1nnc2n1CCCC2 ZINC000187605455 437510006 /nfs/dbraw/zinc/51/00/06/437510006.db2.gz INMPPDYAMIKBKW-JTQLQIEISA-N 0 0 332.408 0.595 10 0 ECAERN C[C@H](C1CC1)n1cc(NC(=O)C(=O)N2CC(NC(=O)C3CC3)C2)cn1 ZINC000187990129 437520751 /nfs/dbraw/zinc/52/07/51/437520751.db2.gz RVQKUTQHUJJUFZ-SNVBAGLBSA-N 0 0 345.403 0.530 10 0 ECAERN COCC(=O)NC1CN(C(=O)NCCCn2cnc3ccccc32)C1 ZINC000188229904 437538370 /nfs/dbraw/zinc/53/83/70/437538370.db2.gz VJBJEJLVSXHRSU-UHFFFAOYSA-N 0 0 345.403 0.583 10 0 ECAERN CCc1ccc([C@H](CNC(=O)[C@H]2C[C@@H](O)CN2C(C)=O)[NH+](C)C)cc1 ZINC000188468878 437552448 /nfs/dbraw/zinc/55/24/48/437552448.db2.gz PYGGHOMOPFVHQF-KURKYZTESA-N 0 0 347.459 0.950 10 0 ECAERN Cc1nn(C)c(-n2cccn2)c1C(=O)N1CCC[C@H](n2cncn2)C1 ZINC000189156549 437584826 /nfs/dbraw/zinc/58/48/26/437584826.db2.gz CASSFRDHCGQWAW-ZDUSSCGKSA-N 0 0 340.391 0.983 10 0 ECAERN CN(Cc1ccccc1F)C(=O)CN1CC[C@]2(C1)NC(=O)NC2=O ZINC000361946703 437705829 /nfs/dbraw/zinc/70/58/29/437705829.db2.gz VOBVRCJVGCLVIJ-MRXNPFEDSA-N 0 0 334.351 0.068 10 0 ECAERN NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H]1CCc2n[nH]nc2C1 ZINC000370535991 437799733 /nfs/dbraw/zinc/79/97/33/437799733.db2.gz OFBJMJDUQJNKOH-ABAIWWIYSA-N 0 0 325.372 0.348 10 0 ECAERN COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)NC1CCN(C(C)=O)CC1 ZINC000389422137 438427567 /nfs/dbraw/zinc/42/75/67/438427567.db2.gz PVNXTEGGAJOKSW-CHWSQXEVSA-N 0 0 332.422 0.258 10 0 ECAERN CCO[C@@]1(C(=O)NCc2nn(C)cc2Br)CCOC1 ZINC000401983615 438461380 /nfs/dbraw/zinc/46/13/80/438461380.db2.gz ZHONKJXOHVXJMW-LBPRGKRZSA-N 0 0 332.198 0.994 10 0 ECAERN O=C(COc1cccnc1)N1CC[C@H](Nc2ccc3nccn3n2)C1 ZINC000580260146 439076236 /nfs/dbraw/zinc/07/62/36/439076236.db2.gz HFAOIZGWIKJDHA-ZDUSSCGKSA-N 0 0 338.371 1.216 10 0 ECAERN CC(C)n1cc([C@@]2(O)CCN(S(=O)(=O)CCC3CC3)C2)nn1 ZINC000583616316 439486180 /nfs/dbraw/zinc/48/61/80/439486180.db2.gz GBXQZYSORNVMDM-CQSZACIVSA-N 0 0 328.438 0.882 10 0 ECAERN Cc1nc(S(=O)(=O)N2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)cn1C ZINC000583616351 439486715 /nfs/dbraw/zinc/48/67/15/439486715.db2.gz HUZQCCQGKGUMJJ-XQQFMLRXSA-N 0 0 329.422 0.279 10 0 ECAERN CCOC(=O)c1cccc([C@@H]2CCOCCN2S(N)(=O)=O)c1 ZINC000616661143 439820633 /nfs/dbraw/zinc/82/06/33/439820633.db2.gz ZMMZXYUSORMEDG-ZDUSSCGKSA-N 0 0 328.390 0.830 10 0 ECAERN O=C(CN1C(=O)COc2ccccc21)N[C@H]1C[C@@H](O)[C@@H]1n1cccn1 ZINC000616767653 439821792 /nfs/dbraw/zinc/82/17/92/439821792.db2.gz JNUKLCQPWBCWRP-XTQGRXLLSA-N 0 0 342.355 0.099 10 0 ECAERN NC(=O)c1cn([C@@H]2CCN(c3ncccc3Br)C2)nn1 ZINC000643759379 440296737 /nfs/dbraw/zinc/29/67/37/440296737.db2.gz YHHIZWHRTRZEPL-MRVPVSSYSA-N 0 0 337.181 0.986 10 0 ECAERN Cn1cc(O[C@@H]2CN(C(=O)c3cnc4[nH]ccc4c3)C[C@H]2O)cn1 ZINC000628262972 440447821 /nfs/dbraw/zinc/44/78/21/440447821.db2.gz GUEGDSMUEJQYHG-ZIAGYGMSSA-N 0 0 327.344 0.512 10 0 ECAERN CO[C@@H]1C[C@@H](CO)N(C(=O)N[C@@H]2Cc3ccccc3N(C)C2=O)C1 ZINC000665624812 440506964 /nfs/dbraw/zinc/50/69/64/440506964.db2.gz ROOWRYQFVMENAT-BFHYXJOUSA-N 0 0 333.388 0.365 10 0 ECAERN CCO[C@]1(C(=O)NCc2c(Br)cnn2C)CCOC1 ZINC000633979973 440591623 /nfs/dbraw/zinc/59/16/23/440591623.db2.gz JGWNMTAFJRRURX-GFCCVEGCSA-N 0 0 332.198 0.994 10 0 ECAERN CC[C@@]1(O)CCC[N@H+](C[C@H](O)CN2C(=O)c3ccccc3C2=O)C1 ZINC000640031203 440860066 /nfs/dbraw/zinc/86/00/66/440860066.db2.gz PQCYMLPMFRGOIY-SCLBCKFNSA-N 0 0 332.400 0.880 10 0 ECAERN Cc1cc(C)n(C[C@H]2CN(C(=O)NCCC(=O)N(C)C)CCO2)n1 ZINC000171902059 320515361 /nfs/dbraw/zinc/51/53/61/320515361.db2.gz PTEPWWHUBNZGDQ-CQSZACIVSA-N 0 0 337.424 0.389 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)NCCCNC(=O)C(C)C)CC1 ZINC000182051655 320529080 /nfs/dbraw/zinc/52/90/80/320529080.db2.gz MGPFLLSNQNWPIA-AWEZNQCLSA-N 0 0 328.457 0.247 10 0 ECAERN Cc1noc(CN2CCN([C@@H]3CCN(C4CCOCC4)C3=O)CC2)n1 ZINC000328653076 320725112 /nfs/dbraw/zinc/72/51/12/320725112.db2.gz KIROXGOTQDBDHD-OAHLLOKOSA-N 0 0 349.435 0.276 10 0 ECAERN C[C@@H](O)CN1CCN(C(=O)[C@@H]2CCCO[C@H]2c2ccnn2C)CC1 ZINC000329072901 320751454 /nfs/dbraw/zinc/75/14/54/320751454.db2.gz ZSQWVTYFUKPTMV-IIAWOOMASA-N 0 0 336.436 0.413 10 0 ECAERN CO[C@@H]1C[C@H](CO)N(C(=O)Cn2cc(Br)ccc2=O)C1 ZINC000345517112 321190586 /nfs/dbraw/zinc/19/05/86/321190586.db2.gz XRXUCPJXSMLTHJ-GHMZBOCLSA-N 0 0 345.193 0.219 10 0 ECAERN Cc1c(C(=O)N2CCOC[C@H]2C(N)=O)nnn1Cc1ccc(F)cc1 ZINC000192651003 533758603 /nfs/dbraw/zinc/75/86/03/533758603.db2.gz NAEWSGJRMJXABK-ZDUSSCGKSA-N 0 0 347.350 0.100 10 0 ECAERN Cc1cc(Cl)ccc1OCC(=O)NC[C@H](O)CN1CCOCC1 ZINC000154114870 533790726 /nfs/dbraw/zinc/79/07/26/533790726.db2.gz LJQADXAZSQKWSY-AWEZNQCLSA-N 0 0 342.823 0.837 10 0 ECAERN COc1ccc(Cl)cc1C(=O)NC[C@@H](O)CN1CCOCC1 ZINC000154137319 533837003 /nfs/dbraw/zinc/83/70/03/533837003.db2.gz WJHSSUYDGNXDNT-GFCCVEGCSA-N 0 0 328.796 0.772 10 0 ECAERN Cc1cc(C)c(C)c(S(=O)(=O)N2CCOC[C@@H]2C(N)=O)c1C ZINC000179687868 534065183 /nfs/dbraw/zinc/06/51/83/534065183.db2.gz AYAFRTMFMYNSEC-CYBMUJFWSA-N 0 0 326.418 0.795 10 0 ECAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)N[C@H](C)C(=O)N(C)C)CCO2)n1 ZINC000171901615 534113412 /nfs/dbraw/zinc/11/34/12/534113412.db2.gz DNZUVQXPDRNTRG-KGLIPLIRSA-N 0 0 337.424 0.387 10 0 ECAERN Cc1ccc(S(N)(=O)=O)c(C(=O)N2CCN3CCCC[C@H]3C2)c1 ZINC000155099753 534214100 /nfs/dbraw/zinc/21/41/00/534214100.db2.gz GSGDJSWGYFDPJC-ZDUSSCGKSA-N 0 0 337.445 0.953 10 0 ECAERN O=C(NCCN1CCOCC1)N1CCC(Nc2cccnn2)CC1 ZINC000152725161 534338072 /nfs/dbraw/zinc/33/80/72/534338072.db2.gz JMYOYVMXRBXOED-UHFFFAOYSA-N 0 0 334.424 0.395 10 0 ECAERN NC(=O)[C@H]1COCCN1C(=O)[C@H](O)Cc1cccc(C(F)(F)F)c1 ZINC000187490440 534461266 /nfs/dbraw/zinc/46/12/66/534461266.db2.gz OXNMSYXAILDXFO-VXGBXAGGSA-N 0 0 346.305 0.322 10 0 ECAERN O=C(CCc1ccccn1)N1CCN(c2ccc3nncn3n2)CC1 ZINC000136403400 534473027 /nfs/dbraw/zinc/47/30/27/534473027.db2.gz SCOIISFAVXEACE-UHFFFAOYSA-N 0 0 337.387 0.801 10 0 ECAERN Cc1ccc2ncc(C(=O)N3CC(NC(=O)C4CC4)C3)c(=O)n2c1 ZINC000189416016 534510801 /nfs/dbraw/zinc/51/08/01/534510801.db2.gz IHLDHPSTZIKTPJ-UHFFFAOYSA-N 0 0 326.356 0.354 10 0 ECAERN Cc1onc(-c2ccccn2)c1C(=O)NC[C@@H](O)CN1CCOCC1 ZINC000132791508 534598158 /nfs/dbraw/zinc/59/81/58/534598158.db2.gz LRWXALZIFGYBRL-CYBMUJFWSA-N 0 0 346.387 0.468 10 0 ECAERN O=C(NC[C@H](O)CN1CCOCC1)c1cnc(-c2ccncc2)s1 ZINC000179475841 534625390 /nfs/dbraw/zinc/62/53/90/534625390.db2.gz NVJURJIEZBCVAN-ZDUSSCGKSA-N 0 0 348.428 0.628 10 0 ECAERN O=C1N[C@H](c2cn(-c3ccc(F)c(Cl)c3)nn2)N2CCOC[C@H]12 ZINC000180936330 534799255 /nfs/dbraw/zinc/79/92/55/534799255.db2.gz WSRLSUYHIQTCCR-OLZOCXBDSA-N 0 0 337.742 0.889 10 0 ECAERN CC(=O)N(CCc1ccccc1)CC(=O)NC[C@H]1CN(C)CCO1 ZINC000129418367 526490378 /nfs/dbraw/zinc/49/03/78/526490378.db2.gz BOANSJGMRPZGBA-KRWDZBQOSA-N 0 0 333.432 0.524 10 0 ECAERN CC(=O)NC1CN(C(=O)C(=O)Nc2c(F)cc(Cl)cc2F)C1 ZINC000191339267 526704836 /nfs/dbraw/zinc/70/48/36/526704836.db2.gz KNQFZQXXAZOLLC-UHFFFAOYSA-N 0 0 331.706 0.904 10 0 ECAERN CC(=O)NC1CN(C(=O)N[C@@H]2CCN(c3ccc(C)cc3)C2=O)C1 ZINC000190209956 526711528 /nfs/dbraw/zinc/71/15/28/526711528.db2.gz FTHSVYCRWGMNRF-OAHLLOKOSA-N 0 0 330.388 0.630 10 0 ECAERN CC(=O)O[C@@]1(C)C[C@H]([C@@H](O)CC2CC(=O)NC(=O)C2)C(=O)[C@@H](C)C1 ZINC000169305313 527118317 /nfs/dbraw/zinc/11/83/17/527118317.db2.gz UFDHNJJHPSGMFX-BEEHHAIOSA-N 0 0 339.388 0.727 10 0 ECAERN CC(C)[C@H](O)CC(=O)NCC(=O)N1CCN(Cc2ccccc2)CC1 ZINC000158469618 527718840 /nfs/dbraw/zinc/71/88/40/527718840.db2.gz ANDPZGNWDNPWLU-QGZVFWFLSA-N 0 0 347.459 0.854 10 0 ECAERN CCNC(=O)c1cccc(CNC(=O)N2CC(NC(=O)C3CC3)C2)c1 ZINC000190317081 528264249 /nfs/dbraw/zinc/26/42/49/528264249.db2.gz NUQRAUJULRMKNK-UHFFFAOYSA-N 0 0 344.415 0.856 10 0 ECAERN CC(C)[C@@H](C)NC(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000174743946 528415267 /nfs/dbraw/zinc/41/52/67/528415267.db2.gz SUOOKOLJIBMKRJ-GFCCVEGCSA-N 0 0 344.437 0.876 10 0 ECAERN CC(C)n1nccc1NC(=O)C(=O)N1CCC[C@H](n2cncn2)C1 ZINC000176088550 528679423 /nfs/dbraw/zinc/67/94/23/528679423.db2.gz XSYGKQZUMXHZNU-LBPRGKRZSA-N 0 0 331.380 0.858 10 0 ECAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NC[C@@H](C)Cn1ccnc1 ZINC000153786756 528809130 /nfs/dbraw/zinc/80/91/30/528809130.db2.gz CYTVTIDNNIDLNQ-KGLIPLIRSA-N 0 0 342.465 0.840 10 0 ECAERN COCCN1CCN([C@@H](C)C(=O)NC(=O)NCC(C)C)C[C@@H]1C ZINC000105833276 545738645 /nfs/dbraw/zinc/73/86/45/545738645.db2.gz KZNIHQPAHPWKAG-KBPBESRZSA-N 0 0 328.457 0.509 10 0 ECAERN COc1ccc(C[C@@H](C)C(=O)NC[C@@H](O)CN2CCOCC2)cc1 ZINC000133100703 545794216 /nfs/dbraw/zinc/79/42/16/545794216.db2.gz HRYCRUOBJDLOSG-GDBMZVCRSA-N 0 0 336.432 0.683 10 0 ECAERN O=C(NC[C@H](O)CN1CCOCC1)c1cc(-c2ccc(F)cc2)on1 ZINC000132975589 545795573 /nfs/dbraw/zinc/79/55/73/545795573.db2.gz NVGUKCJYCQQBDI-AWEZNQCLSA-N 0 0 349.362 0.904 10 0 ECAERN CCn1cc(O[C@@H]2CN(c3ccc4nnc(C)n4n3)C[C@H]2O)cn1 ZINC000624420200 546922723 /nfs/dbraw/zinc/92/27/23/546922723.db2.gz JEZCJDQBXIEFMM-CHWSQXEVSA-N 0 0 329.364 0.278 10 0 ECAERN CCn1cc(O[C@@H]2CN(c3ccc4nc(C)nn4n3)C[C@H]2O)cn1 ZINC000624421004 546923235 /nfs/dbraw/zinc/92/32/35/546923235.db2.gz LXIDZMDFUODFQB-CHWSQXEVSA-N 0 0 329.364 0.278 10 0 ECAERN O=C1CC[C@H](Nc2nccc(N3CCOCC3)n2)[C@@H]([C@H]2CCCO2)N1 ZINC000685921367 549726306 /nfs/dbraw/zinc/72/63/06/549726306.db2.gz HHJHNQPVTPCQJU-ZENOOKHLSA-N 0 0 347.419 0.551 10 0 ECAERN CC(=O)N[C@@H]1CCCN(C(=O)CC[C@H]2CC[C@H](C3OCCO3)O2)C1 ZINC000895765643 586203533 /nfs/dbraw/zinc/20/35/33/586203533.db2.gz NPUPVBMDHNTYHK-RBSFLKMASA-N 0 0 340.420 0.814 10 0 ECAERN Cn1ccnc1[C@@H]1NC(=O)CC[C@H]1NC(=O)c1cnn2ccccc12 ZINC000888076912 586245721 /nfs/dbraw/zinc/24/57/21/586245721.db2.gz YDEHTIXSBNWNRD-IUODEOHRSA-N 0 0 338.371 0.818 10 0 ECAERN CO[C@@H]1CCCCN(CC(=O)NCc2nnc(C3CC3)n2C)C1=O ZINC000888076581 586246136 /nfs/dbraw/zinc/24/61/36/586246136.db2.gz VNHMTAOHMZNDQX-GFCCVEGCSA-N 0 0 335.408 0.336 10 0 ECAERN Cc1noc([C@@H]2COCCN2C2CN(C(=O)c3ccn(C)c3)C2)n1 ZINC000888094763 586348758 /nfs/dbraw/zinc/34/87/58/586348758.db2.gz CIGRTCIXDBXZKE-AWEZNQCLSA-N 0 0 331.376 0.614 10 0 ECAERN CN1CCN(C(=O)c2cn([C@@H]3COC[C@H]3O)nn2)c2ccccc21 ZINC000888093653 586349067 /nfs/dbraw/zinc/34/90/67/586349067.db2.gz MXUNMKVMRQYZMX-HUUCEWRRSA-N 0 0 329.360 0.307 10 0 ECAERN CNC(=O)c1cccc(C(=O)N[C@H]2COC[C@H]2Oc2cnn(C)c2)c1 ZINC000888094276 586349079 /nfs/dbraw/zinc/34/90/79/586349079.db2.gz HGKZVAZWZGGKFI-LSDHHAIUSA-N 0 0 344.371 0.356 10 0 ECAERN COc1cc(CC(=O)N[C@H]2COC[C@H]2Oc2cnn(C)c2)ccn1 ZINC000888100770 586350218 /nfs/dbraw/zinc/35/02/18/586350218.db2.gz QMLMKVBZBZMJPL-UONOGXRCSA-N 0 0 332.360 0.329 10 0 ECAERN CC(C)n1cnc(S(=O)(=O)N[C@@H]2C[C@@H](O)C23CCOCC3)c1 ZINC000888099176 586350287 /nfs/dbraw/zinc/35/02/87/586350287.db2.gz UGBGYNZIVYBXMY-VXGBXAGGSA-N 0 0 329.422 0.672 10 0 ECAERN CC(C)(C)c1cn2c(n1)CC[C@H](NC(=O)CN1CCNC(=O)C1)C2 ZINC000900479257 586634742 /nfs/dbraw/zinc/63/47/42/586634742.db2.gz STFHBFBQHNSXNA-LBPRGKRZSA-N 0 0 333.436 0.043 10 0 ECAERN CN1C(=O)N[C@@]2(CCN(C(=O)[C@@]3(c4ccccc4)C[C@@H](O)C3)C2)C1=O ZINC000900477050 586637036 /nfs/dbraw/zinc/63/70/36/586637036.db2.gz AIDWLYBYETVRCJ-JEBQAFNWSA-N 0 0 343.383 0.232 10 0 ECAERN C/C(=C\C(=O)N1CCO[C@@H](c2noc(C)n2)C1)CN1CCOCC1 ZINC000907258700 587030453 /nfs/dbraw/zinc/03/04/53/587030453.db2.gz UZERKPVGXNTLJR-BRADTZPFSA-N 0 0 336.392 0.556 10 0 ECAERN CCNC(=O)NC(=O)[C@H](C)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000105820376 589139845 /nfs/dbraw/zinc/13/98/45/589139845.db2.gz PEMULFQTQWGKFR-GOEBONIOSA-N 0 0 348.447 0.572 10 0 ECAERN C[C@H](NC(=O)CCc1nc(=O)c2c3c(sc2[nH]1)CCCC3)C(N)=O ZINC000011720680 589697441 /nfs/dbraw/zinc/69/74/41/589697441.db2.gz UFQWSMOIOHVOMW-QMMMGPOBSA-N 0 0 348.428 0.786 10 0 ECAERN Cn1cnc(S(=O)(=O)NC[C@@H]2CCCO[C@H]2c2nccn2C)c1 ZINC000858008461 589722409 /nfs/dbraw/zinc/72/24/09/589722409.db2.gz SIZYOBJGJPXHHT-WCQYABFASA-N 0 0 339.421 0.600 10 0 ECAERN CCn1nc(C)c(CN2CC(N3C[C@H](c4nc(C)no4)CC3=O)C2)n1 ZINC000864311317 590068354 /nfs/dbraw/zinc/06/83/54/590068354.db2.gz YNBWXYYHCZFPEL-GFCCVEGCSA-N 0 0 345.407 0.498 10 0 ECAERN COc1nccc(CN2CC(N3C[C@@H](c4nc(C)no4)CC3=O)C2)n1 ZINC000864310840 590068526 /nfs/dbraw/zinc/06/85/26/590068526.db2.gz UUJBLLWTTKOKJF-NSHDSACASA-N 0 0 344.375 0.377 10 0 ECAERN CCn1c(C2CC2)nn(CN2C[C@@H](C)O[C@@H](C(N)=O)C2)c1=S ZINC000120184386 590094351 /nfs/dbraw/zinc/09/43/51/590094351.db2.gz HNFXWPCSFYILIK-MWLCHTKSSA-N 0 0 325.438 0.843 10 0 ECAERN CN(C)c1nc([C@H]2CCN(C(=O)c3ccn(C)c(=O)c3)C2)cc(=O)[nH]1 ZINC000864842236 590110916 /nfs/dbraw/zinc/11/09/16/590110916.db2.gz USEQEIFQWFPWTL-LBPRGKRZSA-N 0 0 343.387 0.577 10 0 ECAERN C[C@@H]1CN(Cn2nc(-c3ccco3)n(C)c2=S)C[C@H](C(N)=O)O1 ZINC000120298682 590117323 /nfs/dbraw/zinc/11/73/23/590117323.db2.gz OAKHEAXLBXWEAE-MWLCHTKSSA-N 0 0 337.405 0.743 10 0 ECAERN C[C@@H]1CN(Cn2nc(-c3cccnc3)n(C)c2=S)C[C@H](C(N)=O)O1 ZINC000120314627 590117415 /nfs/dbraw/zinc/11/74/15/590117415.db2.gz VPJMTXWZUPROAO-ZYHUDNBSSA-N 0 0 348.432 0.545 10 0 ECAERN CN1C(=O)C[C@@H](CNS(=O)(=O)c2cccnc2)[C@@H]1c1ccncc1 ZINC000886038059 590788062 /nfs/dbraw/zinc/78/80/62/590788062.db2.gz DSIGDOZQIJXBJC-BBRMVZONSA-N 0 0 346.412 0.975 10 0 ECAERN NC(=O)[C@@]1(N2CCN(C(=O)c3ccoc3Cl)CC2)CCOC1 ZINC000886077546 590790693 /nfs/dbraw/zinc/79/06/93/590790693.db2.gz HRJDZERXLONIKB-CQSZACIVSA-N 0 0 327.768 0.335 10 0 ECAERN CO[C@@H]1CCCCN(CC(=O)N2CCN(c3nccn3C)CC2)C1=O ZINC000886074731 590790858 /nfs/dbraw/zinc/79/08/58/590790858.db2.gz RSXGNIXGJLSLDA-CQSZACIVSA-N 0 0 349.435 0.096 10 0 ECAERN CO[C@@H]1CN(C(=O)CCn2cc(Cl)cn2)C[C@H]1c1cn(C)nn1 ZINC000886075359 590790994 /nfs/dbraw/zinc/79/09/94/590790994.db2.gz KIUNZDSHOIZGBA-WCQYABFASA-N 0 0 338.799 0.696 10 0 ECAERN CO[C@H]1CCCCN(CC(=O)NCc2ncccc2N(C)C)C1=O ZINC000886077655 590791588 /nfs/dbraw/zinc/79/15/88/590791588.db2.gz FHLMREVGHXZMRX-HNNXBMFYSA-N 0 0 334.420 0.791 10 0 ECAERN Cn1nccc1[C@H]1[C@H](CNC(=O)c2n[nH]c3c2CCC3)OCCN1C ZINC000886079642 590791796 /nfs/dbraw/zinc/79/17/96/590791796.db2.gz ODLCUAWGIMJTRZ-HOCLYGCPSA-N 0 0 344.419 0.434 10 0 ECAERN CCOC1CN(C(=O)[C@H]2CCC(=O)N(CC)[C@@H]2c2ccnn2C)C1 ZINC000886078428 590791846 /nfs/dbraw/zinc/79/18/46/590791846.db2.gz YWDZYXNTTVSPML-BBRMVZONSA-N 0 0 334.420 0.967 10 0 ECAERN COc1ccc(F)cc1CN1CCN([C@@]2(C(N)=O)CCOC2)CC1 ZINC000886080494 590792412 /nfs/dbraw/zinc/79/24/12/590792412.db2.gz ZUSQOBCWJPDTHK-KRWDZBQOSA-N 0 0 337.395 0.596 10 0 ECAERN Cn1cnnc1C[C@@]1(O)CCCN(Cc2cn(C(C)(C)C)nn2)C1 ZINC000886088747 590793300 /nfs/dbraw/zinc/79/33/00/590793300.db2.gz MKAYEJQEXMMNLU-INIZCTEOSA-N 0 0 333.440 0.731 10 0 ECAERN O=C([C@H]1Cc2ccccc2C(=O)O1)N1CC(c2cc(CO)on2)C1 ZINC000886085657 590794097 /nfs/dbraw/zinc/79/40/97/590794097.db2.gz JVIWZBGMAXZKNW-OAHLLOKOSA-N 0 0 328.324 0.874 10 0 ECAERN COC(=O)c1cc(NC(=O)N2CCN(C[C@@H](C)O)[C@H](C)C2)nn1C ZINC000889069131 591039078 /nfs/dbraw/zinc/03/90/78/591039078.db2.gz UZXCUOCMRNEQEA-GHMZBOCLSA-N 0 0 339.396 0.126 10 0 ECAERN C[C@H](NC(=O)N1CCO[C@@H](Cn2cccn2)C1)c1nnnn1C1CC1 ZINC000188763308 611378618 /nfs/dbraw/zinc/37/86/18/611378618.db2.gz BJHIIFVVIFGWJY-WCQYABFASA-N 0 0 346.395 0.376 10 0 ECAERN COC(=O)[C@@H](Cn1cc(I)cn1)NC1CC1 ZINC000070678479 608644876 /nfs/dbraw/zinc/64/48/76/608644876.db2.gz PAASMHZBKIIFGO-SECBINFHSA-N 0 0 335.145 0.781 10 0 ECAERN Nc1n[nH]c(CCC(=O)N2CC[C@H](Cc3cccc(CO)c3)C2)n1 ZINC000091548645 608718520 /nfs/dbraw/zinc/71/85/20/608718520.db2.gz JFJVQWZTGYJTTB-CYBMUJFWSA-N 0 0 329.404 0.903 10 0 ECAERN Cc1csc([C@@H](OC(=O)c2cn(CC(N)=O)nn2)C(F)(F)F)n1 ZINC000176011267 608743661 /nfs/dbraw/zinc/74/36/61/608743661.db2.gz UCZXFYHYGWCGJE-MRVPVSSYSA-N 0 0 349.294 0.989 10 0 ECAERN CN1CCN(C(=O)CN2CCN(C[C@H](O)c3ccccc3)CC2)CC1 ZINC000178991325 608844671 /nfs/dbraw/zinc/84/46/71/608844671.db2.gz CQHXMQMTQOORHU-SFHVURJKSA-N 0 0 346.475 0.112 10 0 ECAERN CNC(=O)CCNC(=O)[C@@H]1CCC(=O)N1Cc1ccc2c(c1)OCO2 ZINC000223349290 608904363 /nfs/dbraw/zinc/90/43/63/608904363.db2.gz FQZPOBADJHVPNI-LBPRGKRZSA-N 0 0 347.371 0.159 10 0 ECAERN Cn1c2[nH]c(CNC(=O)CCc3cccs3)nc2c(=O)n(C)c1=O ZINC000222460843 609077417 /nfs/dbraw/zinc/07/74/17/609077417.db2.gz QUHSDARFFRYUFT-UHFFFAOYSA-N 0 0 347.400 0.271 10 0 ECAERN CCc1c[nH]nc1[C@@H]1CCCN(C(=O)Cc2c[nH]c(=O)n(C)c2=O)C1 ZINC000067648842 609098109 /nfs/dbraw/zinc/09/81/09/609098109.db2.gz KODFJXBNEMQMJI-GFCCVEGCSA-N 0 0 345.403 0.308 10 0 ECAERN COCCn1cnc2oc(C)c(C(=O)Nc3ccn(C)n3)c2c1=O ZINC000222745733 609112095 /nfs/dbraw/zinc/11/20/95/609112095.db2.gz AOWHFGLDIFTQFP-UHFFFAOYSA-N 0 0 331.332 0.930 10 0 ECAERN CN(C)c1cccnc1C(=O)N[C@@H]1CC(=O)N(C)[C@H]1c1ccnn1C ZINC000908108266 609644608 /nfs/dbraw/zinc/64/46/08/609644608.db2.gz NRVTZPWZFAMOQM-BDJLRTHQSA-N 0 0 342.403 0.583 10 0 ECAERN Cc1nnc2n1C[C@@H](C(=O)NCc1c3nc[nH]c3ccc1F)N(C)C2 ZINC000913416474 609670882 /nfs/dbraw/zinc/67/08/82/609670882.db2.gz JRJLDLITEUAXDY-ZDUSSCGKSA-N 0 0 343.366 0.732 10 0 ECAERN Cc1ccc([C@H]2[C@H](C(=O)NCCC(=O)N(C)C)OCC(=O)N2C)cc1 ZINC000223293966 609709263 /nfs/dbraw/zinc/70/92/63/609709263.db2.gz SHHPZYOUEDAVDH-DLBZAZTESA-N 0 0 347.415 0.488 10 0 ECAERN CCS(=O)(=O)N1CCN(C(=O)c2nn3c(c2C)OCCC3)CC1 ZINC000223763854 609714338 /nfs/dbraw/zinc/71/43/38/609714338.db2.gz YRYAQFPYPZRBPB-UHFFFAOYSA-N 0 0 342.421 0.082 10 0 ECAERN CCn1nc(C)c2c1cnn2CCC(=O)NCCCN1CCOCC1 ZINC000223874594 609715421 /nfs/dbraw/zinc/71/54/21/609715421.db2.gz VAQLRJDKKQSRTK-UHFFFAOYSA-N 0 0 348.451 0.790 10 0 ECAERN CSCCCNC(=O)C[C@H]1C(=O)NCCN1Cc1ccoc1 ZINC000059423384 609738003 /nfs/dbraw/zinc/73/80/03/609738003.db2.gz VVNPEYDVEYYGQH-ZDUSSCGKSA-N 0 0 325.434 0.839 10 0 ECAERN C[C@@](O)(CN1CCN(C(=O)C(=O)NC2CC2)CC1)c1ccccc1 ZINC000170777035 609752354 /nfs/dbraw/zinc/75/23/54/609752354.db2.gz UJIIHTIXXQYNJG-GOSISDBHSA-N 0 0 331.416 0.317 10 0 ECAERN CNC(=O)NCCNC(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1ccccc1 ZINC000910899987 609777498 /nfs/dbraw/zinc/77/74/98/609777498.db2.gz ZQATZPNPCKDZMJ-HIFRSBDPSA-N 0 0 332.404 0.641 10 0 ECAERN COC(=O)c1cn(CN2CCN([C@H](C)c3nc(C)no3)CC2)nn1 ZINC000152638469 609869972 /nfs/dbraw/zinc/86/99/72/609869972.db2.gz UQMNEWXPTKRXOO-SNVBAGLBSA-N 0 0 335.368 0.092 10 0 ECAERN CCCC[C@@H]1NC(=O)N(CN2CCO[C@H](Cn3cccn3)C2)C1=O ZINC000152797529 609880556 /nfs/dbraw/zinc/88/05/56/609880556.db2.gz CGRFHARLHJTDIZ-KBPBESRZSA-N 0 0 335.408 0.652 10 0 ECAERN O=c1c2ccccc2nnn1CN1CCO[C@H](Cn2cccn2)C1 ZINC000152837109 609882998 /nfs/dbraw/zinc/88/29/98/609882998.db2.gz KGAJZDDLQGXJPJ-ZDUSSCGKSA-N 0 0 326.360 0.347 10 0 ECAERN CCO[C@]1(C(=O)N[C@@H]2C[C@H](N3CCOCC3)C2(C)C)CCOC1 ZINC000911843766 609915398 /nfs/dbraw/zinc/91/53/98/609915398.db2.gz NJZHRKCHTNSGGW-JKIFEVAISA-N 0 0 326.437 0.798 10 0 ECAERN CC(C)S(=O)(=O)c1ccc(C(=O)N2CCOC[C@H]2CO)cc1 ZINC000912423960 609958068 /nfs/dbraw/zinc/95/80/68/609958068.db2.gz ZLUDPHQRPQUZGS-CYBMUJFWSA-N 0 0 327.402 0.702 10 0 ECAERN CCOc1ccccc1N1C[C@@H](C(=O)N2CCOC[C@H]2CO)CC1=O ZINC000912427426 609958333 /nfs/dbraw/zinc/95/83/33/609958333.db2.gz KQOYLZQSQIRBFE-UONOGXRCSA-N 0 0 348.399 0.658 10 0 ECAERN CCCCN1C(=O)c2ccc(C(=O)N3CCOC[C@@H]3CO)cc2C1=O ZINC000912428087 609958814 /nfs/dbraw/zinc/95/88/14/609958814.db2.gz SMDITCPONFZGHS-ZDUSSCGKSA-N 0 0 346.383 0.916 10 0 ECAERN CC(=O)N[C@H]1CCCN(C(=O)c2cc(Br)nn2C)C1 ZINC000192080499 611899748 /nfs/dbraw/zinc/89/97/48/611899748.db2.gz MVRACRJKVFLBCJ-VIFPVBQESA-N 0 0 329.198 0.923 10 0 ECAERN Cn1cc(N2CCN(CN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)CC2)cn1 ZINC000080583418 612470003 /nfs/dbraw/zinc/47/00/03/612470003.db2.gz AQKJWIBSEXRDOR-HUUCEWRRSA-N 0 0 329.404 0.451 10 0 ECAERN C[C@H](NC(=O)CN(C)S(C)(=O)=O)c1cccc(-n2ccnc2)c1 ZINC000173945215 231075502 /nfs/dbraw/zinc/07/55/02/231075502.db2.gz MPGRBTVIQYPRLM-LBPRGKRZSA-N 0 0 336.417 0.941 10 0 ECAERN CCOC(=O)[C@@]12C(=O)C(=O)N[C@]1(c1ccccc1)[C@H]1OCCC[C@H]12 ZINC000004665034 210241678 /nfs/dbraw/zinc/24/16/78/210241678.db2.gz FWGNZLPMMZQUBX-KBEZCGTCSA-N 0 0 329.352 0.939 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)Nc2cc(C(N)=O)ccc2F)CC1 ZINC000181175079 529698880 /nfs/dbraw/zinc/69/88/80/529698880.db2.gz FBVTXJJHAQAFSU-LBPRGKRZSA-N 0 0 338.383 0.845 10 0 ECAERN CCc1nnc(CN2CCN(c3nc(C)nc4c3cnn4C)CC2)[nH]1 ZINC000158408521 529737020 /nfs/dbraw/zinc/73/70/20/529737020.db2.gz QFLYKGLAJDIZEE-UHFFFAOYSA-N 0 0 341.423 0.674 10 0 ECAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)Nc1ccc(C(N)=O)nc1 ZINC000163881977 529750534 /nfs/dbraw/zinc/75/05/34/529750534.db2.gz HUPJUGWYIQBEPX-LLVKDONJSA-N 0 0 329.364 0.991 10 0 ECAERN CCc1nccn1[C@H]1CCCN(C(=O)CNS(=O)(=O)CC)C1 ZINC000130766707 529760882 /nfs/dbraw/zinc/76/08/82/529760882.db2.gz FPAQPJPBZDJVRZ-LBPRGKRZSA-N 0 0 328.438 0.548 10 0 ECAERN CN(CC(=O)N[C@@H]1CCCn2ncnc21)S(=O)(=O)c1ccccc1 ZINC000177553712 529836360 /nfs/dbraw/zinc/83/63/60/529836360.db2.gz ZWOPVTCLAPIEKJ-CYBMUJFWSA-N 0 0 349.416 0.550 10 0 ECAERN Cc1ccc([C@H](CNC(=O)NCCC(N)=O)N2CCOCC2)s1 ZINC000178512394 232215944 /nfs/dbraw/zinc/21/59/44/232215944.db2.gz SLUXETWRVFHAGP-LBPRGKRZSA-N 0 0 340.449 0.604 10 0 ECAERN CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@H](CO)O[C@@H]1Oc1ccc2ccccc2c1 ZINC000004103788 210120794 /nfs/dbraw/zinc/12/07/94/210120794.db2.gz QKMSGRRTZKSWCS-TZNCUMHOSA-N 0 0 347.367 0.162 10 0 ECAERN COC[C@H](C)S(=O)(=O)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000178696801 232385750 /nfs/dbraw/zinc/38/57/50/232385750.db2.gz GZRNBLVCOHPVAB-GOEBONIOSA-N 0 0 342.461 0.702 10 0 ECAERN COCCNC(=O)CN1C(=O)N[C@@](C)(c2ccccc2Cl)C1=O ZINC000003593547 210060902 /nfs/dbraw/zinc/06/09/02/210060902.db2.gz RRNKKRAXTZKPRU-HNNXBMFYSA-N 0 0 339.779 0.870 10 0 ECAERN O=C1CN(C[C@@]2(O)CCCN(CCc3ccccc3)C2=O)CCN1 ZINC000067743281 215200238 /nfs/dbraw/zinc/20/02/38/215200238.db2.gz JKXRCYDYOSTORD-SFHVURJKSA-N 0 0 331.416 0.014 10 0 ECAERN CCCCn1c(N)c(N(CC)C(=O)[C@H](C)COC)c(=O)[nH]c1=O ZINC000103359028 219293784 /nfs/dbraw/zinc/29/37/84/219293784.db2.gz GAOPAAZOWPWPTN-SNVBAGLBSA-N 0 0 326.397 0.554 10 0 ECAERN Cn1cc([C@@H]2CCCN2C(=O)NCCNC(=O)c2ccn[nH]2)cn1 ZINC000181687644 234286153 /nfs/dbraw/zinc/28/61/53/234286153.db2.gz WEBPTPYRRRJEPN-ZDUSSCGKSA-N 0 0 331.380 0.420 10 0 ECAERN CCn1cc(C2CCN(C(=O)NCC(=O)N3CCOCC3)CC2)cn1 ZINC000181853872 234352290 /nfs/dbraw/zinc/35/22/90/234352290.db2.gz MWLKNAGFAUQAEP-UHFFFAOYSA-N 0 0 349.435 0.651 10 0 ECAERN CCCn1c(N)c(NC(=O)c2cnccn2)c(=O)n(CCC)c1=O ZINC000039125295 213231860 /nfs/dbraw/zinc/23/18/60/213231860.db2.gz KVGDJTKTYBENSL-UHFFFAOYSA-N 0 0 332.364 0.455 10 0 ECAERN CC(C)c1nc(CN2CCN(c3ccc4nncn4n3)CC2)no1 ZINC000105817373 219540531 /nfs/dbraw/zinc/54/05/31/219540531.db2.gz VTXVCCLUPMZWPY-UHFFFAOYSA-N 0 0 328.380 0.953 10 0 ECAERN NC(=S)c1cccc(CS(=O)(=O)NCC(=O)NC2CC2)c1 ZINC000038005331 213188221 /nfs/dbraw/zinc/18/82/21/213188221.db2.gz BDLHHOOVJRDDAY-UHFFFAOYSA-N 0 0 327.431 0.019 10 0 ECAERN CCNC(=O)CNS(=O)(=O)c1c(N)cc(Cl)cc1Cl ZINC000036780187 213118777 /nfs/dbraw/zinc/11/87/77/213118777.db2.gz UYJQQVRSEQJAPA-UHFFFAOYSA-N 0 0 326.205 0.990 10 0 ECAERN Nc1cc(Cl)c(S(=O)(=O)NCCS(N)(=O)=O)c(Cl)c1 ZINC000036744565 213115720 /nfs/dbraw/zinc/11/57/20/213115720.db2.gz YHQOULCWINPNES-UHFFFAOYSA-N 0 0 348.233 0.142 10 0 ECAERN O=C(NC1CN(C(=O)NCC[S@@](=O)Cc2ccccc2)C1)C1CC1 ZINC000187150547 236131146 /nfs/dbraw/zinc/13/11/46/236131146.db2.gz UVWNWUMEUQGSIB-XMMPIXPASA-N 0 0 349.456 0.855 10 0 ECAERN COc1ccc(CN2C[C@H](C(=O)NCCC3OCCO3)CC2=O)cc1 ZINC000034916636 212998313 /nfs/dbraw/zinc/99/83/13/212998313.db2.gz OWTKNKHQURSJJY-CQSZACIVSA-N 0 0 348.399 0.923 10 0 ECAERN COC(=O)c1c(C)nc(C)c2c1ccn(-c1nc(CO)n[nH]1)c2=O ZINC000072452165 216239965 /nfs/dbraw/zinc/23/99/65/216239965.db2.gz UGMAKOMWKOKTNB-UHFFFAOYSA-N 0 0 329.316 0.400 10 0 ECAERN Cc1nn(C)c(C)c1OCC(=O)N1CCCN(c2cccnn2)CC1 ZINC000131237173 223216160 /nfs/dbraw/zinc/21/61/60/223216160.db2.gz UQLSYPTUONDTKO-UHFFFAOYSA-N 0 0 344.419 0.945 10 0 ECAERN CCn1cc([C@@H]2CN(C(=O)C(=O)Nc3ccc(F)nc3)CCO2)cn1 ZINC000190551700 238583303 /nfs/dbraw/zinc/58/33/03/238583303.db2.gz MVUSIUQUMVUHJW-ZDUSSCGKSA-N 0 0 347.350 0.976 10 0 ECAERN Cc1cc(N2CCC[C@@H](NC(=O)c3snnc3C)C2=O)n(C)n1 ZINC000191437517 239110311 /nfs/dbraw/zinc/11/03/11/239110311.db2.gz YAKYULFNKKECSC-SNVBAGLBSA-N 0 0 334.405 0.814 10 0 ECAERN Cc1cc(=O)[nH]c([C@@H](C)N2CCN(c3ccc4nncn4n3)CC2)n1 ZINC000192574682 239786504 /nfs/dbraw/zinc/78/65/04/239786504.db2.gz QLHFLAPWBOVRGB-GFCCVEGCSA-N 0 0 340.391 0.812 10 0 ECAERN Cc1cccc(NC(=O)C(=O)N2CCO[C@@H](Cn3cccn3)C2)n1 ZINC000193474887 240180204 /nfs/dbraw/zinc/18/02/04/240180204.db2.gz MJTOXYLIFCFAGR-CYBMUJFWSA-N 0 0 329.360 0.453 10 0 ECAERN CCn1cc([C@@H]2CN(C(=O)C(=O)Nc3ccc(F)cn3)CCO2)cn1 ZINC000194421270 240574578 /nfs/dbraw/zinc/57/45/78/240574578.db2.gz OMUZMIHMSRWTSG-ZDUSSCGKSA-N 0 0 347.350 0.976 10 0 ECAERN Cc1cc(O)cc(=O)n1CC(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000132864003 223369029 /nfs/dbraw/zinc/36/90/29/223369029.db2.gz QXLZWNCWXGBTPT-WFASDCNBSA-N 0 0 335.404 0.041 10 0 ECAERN CCCC(=O)NCC(=O)Nc1c(C)nc(N2CCOCC2)nc1C ZINC000224306715 241750096 /nfs/dbraw/zinc/75/00/96/241750096.db2.gz MWKTWPLDOHVODA-UHFFFAOYSA-N 0 0 335.408 0.785 10 0 ECAERN CC(C)CO[C@@H](C)c1noc(CN(C)C(=O)[C@H]2COCCN2)n1 ZINC000236635251 242302255 /nfs/dbraw/zinc/30/22/55/242302255.db2.gz IXAHBRGZLDIHAU-NWDGAFQWSA-N 0 0 326.397 0.750 10 0 ECAERN C[C@H](O)CN1CCN(C(=O)Cn2cnc(-c3ccccc3)n2)C[C@H]1C ZINC000245586172 243133945 /nfs/dbraw/zinc/13/39/45/243133945.db2.gz MLRQNCNUMFYIQQ-CABCVRRESA-N 0 0 343.431 0.859 10 0 ECAERN Cn1c(=O)oc2cc(NC(=O)C(=O)NC[C@H]3CCCC[C@@H]3O)ccc21 ZINC000077938854 217003535 /nfs/dbraw/zinc/00/35/35/217003535.db2.gz LNAOTAUANOTNAV-MFKMUULPSA-N 0 0 347.371 0.737 10 0 ECAERN Cn1c(=O)oc2cc(NC(=O)C(=O)N[C@@H]3CCCC[C@@H]3CO)ccc21 ZINC000078993045 217168881 /nfs/dbraw/zinc/16/88/81/217168881.db2.gz DDFPPQUDKDARJN-ZYHUDNBSSA-N 0 0 347.371 0.737 10 0 ECAERN CN(CC(=O)N1CCO[C@H](Cn2cccn2)C1)C(=O)c1cccs1 ZINC000111081501 220097924 /nfs/dbraw/zinc/09/79/24/220097924.db2.gz AHNHGRWVSBHFLY-ZDUSSCGKSA-N 0 0 348.428 0.944 10 0 ECAERN C[C@H](NC(=O)c1ccco1)C(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111078680 220096969 /nfs/dbraw/zinc/09/69/69/220096969.db2.gz MTSCQRGHPCFLRP-QWHCGFSZSA-N 0 0 332.360 0.522 10 0 ECAERN O=C(N[C@H](Cc1ccccc1)CN1CCOCC1)[C@H]1CNC(=O)C1 ZINC000111124109 220102623 /nfs/dbraw/zinc/10/26/23/220102623.db2.gz HEZMXAOOGCNMOX-HZPDHXFCSA-N 0 0 331.416 0.182 10 0 ECAERN O=C(CN1CCS(=O)CC1)Nc1nc(CN2CCCC2)cs1 ZINC000111223462 220113686 /nfs/dbraw/zinc/11/36/86/220113686.db2.gz XFFHUPBXAOVWSZ-UHFFFAOYSA-N 0 0 342.490 0.742 10 0 ECAERN COCCN(C)S(=O)(=O)N1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000111341091 220142685 /nfs/dbraw/zinc/14/26/85/220142685.db2.gz DLCZMSWQKDAWKC-CYBMUJFWSA-N 0 0 330.454 0.997 10 0 ECAERN O=C(CNC(=O)c1ccccc1)N1CCO[C@H](Cn2cccn2)C1 ZINC000111649732 220174375 /nfs/dbraw/zinc/17/43/75/220174375.db2.gz XLNYXUFHRAQHRF-HNNXBMFYSA-N 0 0 328.372 0.541 10 0 ECAERN Cc1cnn(C[C@H]2CN(C(=O)CNC(=O)CCC(C)C)CCO2)c1 ZINC000112063277 220236352 /nfs/dbraw/zinc/23/63/52/220236352.db2.gz WAPNMRBAZZKPAS-OAHLLOKOSA-N 0 0 336.436 0.971 10 0 ECAERN CCc1noc([C@H](C)N2CCN(C(=O)CN3CCCC3=O)CC2)n1 ZINC000112034771 220232098 /nfs/dbraw/zinc/23/20/98/220232098.db2.gz MOECRTPMEAGPLH-LBPRGKRZSA-N 0 0 335.408 0.460 10 0 ECAERN COCCNC(=O)c1cccc(N2C(=O)C(C)(C)CS2(=O)=O)c1 ZINC000012026267 211280775 /nfs/dbraw/zinc/28/07/75/211280775.db2.gz KLRMBRUGDWMYJE-UHFFFAOYSA-N 0 0 340.401 0.765 10 0 ECAERN NC(=O)[C@H]1COCCN1CC(=O)N(Cc1ccco1)c1ccccc1 ZINC000092231310 218127899 /nfs/dbraw/zinc/12/78/99/218127899.db2.gz SFNHJRSCZNJRKY-MRXNPFEDSA-N 0 0 343.383 0.999 10 0 ECAERN NC(=O)[C@@H]1COCCN1CC(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000092229679 218127974 /nfs/dbraw/zinc/12/79/74/218127974.db2.gz FVDQZNSLWKBTME-INIZCTEOSA-N 0 0 346.431 0.802 10 0 ECAERN O=C(NC[C@@H](O)CN1CCOCC1)Nc1ccc(-c2cc[nH]n2)cc1 ZINC000092761383 218165161 /nfs/dbraw/zinc/16/51/61/218165161.db2.gz OFKNBHMNGAUJEY-OAHLLOKOSA-N 0 0 345.403 0.891 10 0 ECAERN CN1CCCc2cc(NC(=O)NC[C@H](O)CN3CCOCC3)ccc21 ZINC000092599490 218153300 /nfs/dbraw/zinc/15/33/00/218153300.db2.gz WFUABIOXPAIEIS-INIZCTEOSA-N 0 0 348.447 0.884 10 0 ECAERN O=C([O-])c1cc(F)cc(S(=O)(=O)N2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000248882470 304225264 /nfs/dbraw/zinc/22/52/64/304225264.db2.gz PFFGPUBZXHYPSL-LBPRGKRZSA-N 0 0 328.365 0.993 10 0 ECAERN CS(=O)(=O)NC[C@@H]1CCC[C@]2(CCN(c3ncccn3)C2)O1 ZINC000096209275 218685988 /nfs/dbraw/zinc/68/59/88/218685988.db2.gz QXGSXTVRVQHVOG-GXTWGEPZSA-N 0 0 326.422 0.544 10 0 ECAERN CN(C)C[C@H]1CN(C(=O)c2cc(S(C)(=O)=O)cs2)CCO1 ZINC000152980135 224040392 /nfs/dbraw/zinc/04/03/92/224040392.db2.gz RMNAVPPJKOKTEO-JTQLQIEISA-N 0 0 332.447 0.554 10 0 ECAERN O=C1C[C@H](N2CC[C@H](N3CCOCC3)C2)C(=O)N1c1ccccc1F ZINC000174006062 296347489 /nfs/dbraw/zinc/34/74/89/296347489.db2.gz QADDVBKXPDKLGR-BBRMVZONSA-N 0 0 347.390 0.864 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)C(=O)Nc1cc(C)cc(C)n1)CC2 ZINC000193473001 207771966 /nfs/dbraw/zinc/77/19/66/207771966.db2.gz VOUAQPGXWGUCMS-LBPRGKRZSA-N 0 0 342.403 0.922 10 0 ECAERN Nc1ncc(Cl)cc1S(=O)(=O)N[C@@H]1CCc2ncnn2C1 ZINC000153815587 224162418 /nfs/dbraw/zinc/16/24/18/224162418.db2.gz YDLMSIFYLKDJLM-MRVPVSSYSA-N 0 0 328.785 0.202 10 0 ECAERN COCCN1CCN(C(=O)CNC(=O)c2cccc(F)c2)C[C@@H]1C ZINC000117425304 221060896 /nfs/dbraw/zinc/06/08/96/221060896.db2.gz OGZHLUOICPPGBJ-ZDUSSCGKSA-N 0 0 337.395 0.735 10 0 ECAERN COCCN1CCN(C(=O)NCC(C)(C)N2CCOCC2)C[C@@H]1C ZINC000117469965 221066555 /nfs/dbraw/zinc/06/65/55/221066555.db2.gz VVJWZZQTOMPLFS-HNNXBMFYSA-N 0 0 342.484 0.459 10 0 ECAERN COC[C@@H](C)S(=O)(=O)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000117924333 221100354 /nfs/dbraw/zinc/10/03/54/221100354.db2.gz IGUQRBZPIQLJHW-CYBMUJFWSA-N 0 0 330.454 0.293 10 0 ECAERN Cc1cnn(C[C@@H]2CN(C(=O)C(=O)Nc3ccc(C)nc3)CCO2)c1 ZINC000119186813 221261756 /nfs/dbraw/zinc/26/17/56/221261756.db2.gz IUZUFRNIPYUSKM-HNNXBMFYSA-N 0 0 343.387 0.761 10 0 ECAERN CCCn1nccc1NC(=O)C(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000154555214 296697516 /nfs/dbraw/zinc/69/75/16/296697516.db2.gz RZLWZPLKPMZDEH-ZDUSSCGKSA-N 0 0 346.391 0.356 10 0 ECAERN CCc1nnc(CN2CCN(c3ncccc3C(N)=O)CC2)n1C ZINC000171035591 296720364 /nfs/dbraw/zinc/72/03/64/296720364.db2.gz GVFVAMDFZWKMHT-UHFFFAOYSA-N 0 0 329.408 0.194 10 0 ECAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)CNC(=O)Cc1ccccc1 ZINC000081814377 164626674 /nfs/dbraw/zinc/62/66/74/164626674.db2.gz BKGAZMTWVISNLG-CQSZACIVSA-N 0 0 327.388 0.897 10 0 ECAERN NC(=O)[C@H]1COCCN1CC(=O)NCCc1ccc(Cl)cc1 ZINC000092229187 164645069 /nfs/dbraw/zinc/64/50/69/164645069.db2.gz UJYCYQDTYLPWJD-CYBMUJFWSA-N 0 0 325.796 0.185 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)Nc1cc(CCOC)nn1C)CC2 ZINC000127500218 164676861 /nfs/dbraw/zinc/67/68/61/164676861.db2.gz NZNCCAFHSAMBKN-GFCCVEGCSA-N 0 0 347.423 0.899 10 0 ECAERN Cc1cc(O)cc(=O)n1CC(=O)N1CCC(Nc2cccnn2)CC1 ZINC000128685139 164682770 /nfs/dbraw/zinc/68/27/70/164682770.db2.gz CZZRJZYUQPMWKI-UHFFFAOYSA-N 0 0 343.387 0.755 10 0 ECAERN CCCC(=O)N[C@H]1CCCN(C(=O)N[C@H]2CCc3nc(C)nn3C2)C1 ZINC000171083490 164827965 /nfs/dbraw/zinc/82/79/65/164827965.db2.gz ZVRDZDOLJQOYGS-KBPBESRZSA-N 0 0 348.451 0.992 10 0 ECAERN Cc1cc(=O)n(C)cc1NC(=O)C(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000183073984 164952265 /nfs/dbraw/zinc/95/22/65/164952265.db2.gz YGKOJSDGBAJGMC-UHFFFAOYSA-N 0 0 343.387 0.762 10 0 ECAERN CCN(CC)C(=O)CCCNC(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188804375 165002344 /nfs/dbraw/zinc/00/23/44/165002344.db2.gz MFPHEJNQDDGXFN-UHFFFAOYSA-N 0 0 338.452 0.945 10 0 ECAERN C[C@H]1C(=O)NCCCN1C(=O)C1CCN(C(=O)N2CCCC2)CC1 ZINC000188875711 165003203 /nfs/dbraw/zinc/00/32/03/165003203.db2.gz PPOBMXZGZILYGM-ZDUSSCGKSA-N 0 0 336.436 0.651 10 0 ECAERN COC[C@@H](C)n1ccc(NC(=O)C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000188891459 165003323 /nfs/dbraw/zinc/00/33/23/165003323.db2.gz YGGNORMPMIWTSH-CHWSQXEVSA-N 0 0 335.408 0.336 10 0 ECAERN Cc1cccc2c1ncn(CCC(=O)N1CCCNC(=O)[C@H]1C)c2=O ZINC000188893836 165003425 /nfs/dbraw/zinc/00/34/25/165003425.db2.gz XNBGDXJSLRYXPA-CYBMUJFWSA-N 0 0 342.399 0.832 10 0 ECAERN C[C@H]1C(=O)NCCCN1C(=O)Cc1nnc(-c2ccccc2)n1C ZINC000189230157 165007351 /nfs/dbraw/zinc/00/73/51/165007351.db2.gz MGVLJWIZSGUFLE-LBPRGKRZSA-N 0 0 327.388 0.762 10 0 ECAERN CN(C)c1ncncc1NC(=O)C(=O)N1CCCC[C@H]1c1cn[nH]c1 ZINC000190131783 165017832 /nfs/dbraw/zinc/01/78/32/165017832.db2.gz FVNAUEMHFRGLJT-ZDUSSCGKSA-N 0 0 343.391 0.958 10 0 ECAERN C[C@@H]1C(=O)NCCCN1C(=O)C(=O)Nc1ccc2ncsc2c1 ZINC000190671000 165023978 /nfs/dbraw/zinc/02/39/78/165023978.db2.gz HWPYGVPMUHAMKA-SECBINFHSA-N 0 0 332.385 0.972 10 0 ECAERN C[C@@H](C1CC1)n1nccc1NC(=O)C(=O)NC[C@@H]1CN(C)CCO1 ZINC000192022698 165039131 /nfs/dbraw/zinc/03/91/31/165039131.db2.gz KPQHAXJDENVTDN-WCQYABFASA-N 0 0 335.408 0.239 10 0 ECAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N(Cc1ccccc1)[C@@H](CO)C1CC1 ZINC000193745691 165059319 /nfs/dbraw/zinc/05/93/19/165059319.db2.gz XHRNJOYYLCACML-KURKYZTESA-N 0 0 346.427 0.768 10 0 ECAERN O=C(CNC1=NS(=O)(=O)c2ccccc21)N1CCN2CCC[C@@H]2C1 ZINC000195310003 165079779 /nfs/dbraw/zinc/07/97/79/165079779.db2.gz GECLNHGPEBVAEW-GFCCVEGCSA-N 0 0 348.428 0.032 10 0 ECAERN COC[C@@H](C)NC(=O)NC(=O)CN1CCC(c2ccnn2C)CC1 ZINC000195503129 165083045 /nfs/dbraw/zinc/08/30/45/165083045.db2.gz SVONGFQXODDRPA-GFCCVEGCSA-N 0 0 337.424 0.460 10 0 ECAERN O=C(CN1CCC(c2cc[nH]n2)CC1)NC(=O)NCC(F)(F)F ZINC000195505633 165085075 /nfs/dbraw/zinc/08/50/75/165085075.db2.gz BWQZWKQDLURBOB-UHFFFAOYSA-N 0 0 333.314 0.977 10 0 ECAERN C[C@H](O)CN1CCN(C(=O)C2CCN(c3cnccn3)CC2)C[C@H]1C ZINC000245410127 165104090 /nfs/dbraw/zinc/10/40/90/165104090.db2.gz PNNVZCNRWSPUKF-CABCVRRESA-N 0 0 347.463 0.607 10 0 ECAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NC[C@H](C)Cn1ccnc1 ZINC000246791740 165142557 /nfs/dbraw/zinc/14/25/57/165142557.db2.gz CYTVTIDNNIDLNQ-KBPBESRZSA-N 0 0 342.465 0.840 10 0 ECAERN COCCN1CCN(C(=O)N[C@H](C)CN2CCOCC2)C[C@H]1C ZINC000246926547 165148622 /nfs/dbraw/zinc/14/86/22/165148622.db2.gz BNYQJXAAQCEOLL-HUUCEWRRSA-N 0 0 328.457 0.069 10 0 ECAERN Cn1cc(CN2CCCN(S(=O)(=O)C[C@H]3CCCO3)CC2)cn1 ZINC000247038338 165150010 /nfs/dbraw/zinc/15/00/10/165150010.db2.gz ACPFBCOFRBNHGT-OAHLLOKOSA-N 0 0 342.465 0.437 10 0 ECAERN CC[C@H](C)NC(=O)[C@H](C)NC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000247214682 165155194 /nfs/dbraw/zinc/15/51/94/165155194.db2.gz VOJMYVOMMDMFBS-MELADBBJSA-N 0 0 326.441 0.406 10 0 ECAERN CCOC(=O)[C@@H]1CCCN(C(=O)CN2CCC[C@@H](n3cncn3)C2)C1 ZINC000247388510 165160439 /nfs/dbraw/zinc/16/04/39/165160439.db2.gz WUIAVHIUFRBYSD-HUUCEWRRSA-N 0 0 349.435 0.717 10 0 ECAERN CCC(=O)N1CC[C@H](NC(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)C1 ZINC000248603226 165182105 /nfs/dbraw/zinc/18/21/05/165182105.db2.gz JKFYNCSUODUUTL-IHRRRGAJSA-N 0 0 326.441 0.094 10 0 ECAERN CCC1(CC)[C@H](NC(=O)[C@H]2C[C@@H](O)CN2C(C)=O)[C@@H](C)[C@H]1OC ZINC000248807417 165186521 /nfs/dbraw/zinc/18/65/21/165186521.db2.gz BMNYNEWNCQVVCH-DIAXPKBXSA-N 0 0 326.437 0.924 10 0 ECAERN CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1cncnc1N(C)C ZINC000249210090 165195809 /nfs/dbraw/zinc/19/58/09/165195809.db2.gz SJFFXHNQIXIZIT-OLZOCXBDSA-N 0 0 346.435 0.566 10 0 ECAERN Cn1cc(S(=O)(=O)N2CCO[C@H]3CCCC[C@H]32)cc1C(N)=O ZINC000249384237 165197950 /nfs/dbraw/zinc/19/79/50/165197950.db2.gz WTBHXTPDUPRXAN-YPMHNXCESA-N 0 0 327.406 0.456 10 0 ECAERN CO[C@@H](C)CS(=O)(=O)N1CCCN(Cc2noc(C)n2)CC1 ZINC000249555327 165198893 /nfs/dbraw/zinc/19/88/93/165198893.db2.gz LUWBQZXFHSLPGO-NSHDSACASA-N 0 0 332.426 0.250 10 0 ECAERN C[C@H](NS(C)(=O)=O)C(=O)N1C[C@H](CO)[C@@H](c2ccsc2)C1 ZINC000249520273 165199158 /nfs/dbraw/zinc/19/91/58/165199158.db2.gz UXNLEEYBDFIDCN-MVWJERBFSA-N 0 0 332.447 0.220 10 0 ECAERN COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)Cc1nc2ncccn2n1 ZINC000249504549 165199602 /nfs/dbraw/zinc/19/96/02/165199602.db2.gz FZGYNHJNJZASHC-UPJWGTAASA-N 0 0 343.387 1.000 10 0 ECAERN O=C1NCCN1[C@H]1CCCN(c2cc(N3CCC[C@@H]3CO)ncn2)C1 ZINC000261482254 165212728 /nfs/dbraw/zinc/21/27/28/165212728.db2.gz NORXYQXSLRAEIQ-UONOGXRCSA-N 0 0 346.435 0.432 10 0 ECAERN CCc1nc(CN2CCN(C(=O)[C@H]([NH3+])C3CCOCC3)CC2)no1 ZINC000261620087 165217007 /nfs/dbraw/zinc/21/70/07/165217007.db2.gz CEKMZAMUBMULJH-OAHLLOKOSA-N 0 0 337.424 0.030 10 0 ECAERN CN(C)CC(=O)Nc1ccc(NC(=O)[C@H]([NH3+])C2CCOCC2)cc1 ZINC000261678205 165225500 /nfs/dbraw/zinc/22/55/00/165225500.db2.gz GSLQSPCAYWLSSA-MRXNPFEDSA-N 0 0 334.420 0.879 10 0 ECAERN CC(C)(C)c1nc(CN2CCN(Cc3noc(CN)n3)CC2)no1 ZINC000262315326 165327271 /nfs/dbraw/zinc/32/72/71/165327271.db2.gz ZPZABZJUVWTQEQ-UHFFFAOYSA-N 0 0 335.412 0.527 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)c2ccc(-n3ccnc3)nc2)C1 ZINC000262796918 165388451 /nfs/dbraw/zinc/38/84/51/165388451.db2.gz LWHUSLHPAAAXKM-UHFFFAOYSA-N 0 0 343.387 0.935 10 0 ECAERN CC[C@@H](OC1CCCC1)C(=O)N1CCO[C@H](C[N@H+](C)CC(=O)[O-])C1 ZINC000262817951 165391180 /nfs/dbraw/zinc/39/11/80/165391180.db2.gz GNIXMWYPSXTUCJ-HUUCEWRRSA-N 0 0 342.436 0.968 10 0 ECAERN CC(C)Oc1nccnc1N1C[C@H](C(N)=O)[C@@H](c2cnn(C)c2)C1 ZINC000299746032 296881362 /nfs/dbraw/zinc/88/13/62/296881362.db2.gz UVDAKAXYZBFZJF-OLZOCXBDSA-N 0 0 330.392 0.703 10 0 ECAERN C[C@@H](CO)N1CCN(c2cnn(C)c(=O)c2Br)CC1 ZINC000301237141 296884222 /nfs/dbraw/zinc/88/42/22/296884222.db2.gz MEGQTDRWZWQISU-VIFPVBQESA-N 0 0 331.214 0.046 10 0 ECAERN COC[C@H](O)CN1CCC(Nc2ccc(S(C)(=O)=O)cc2)CC1 ZINC000302122069 296895589 /nfs/dbraw/zinc/89/55/89/296895589.db2.gz DREVAZZYHMXPFP-OAHLLOKOSA-N 0 0 342.461 0.974 10 0 ECAERN NC(=O)[C@@H]1COCCN1c1nn2cc(-c3cccnc3)nc2s1 ZINC000302171213 296896349 /nfs/dbraw/zinc/89/63/49/296896349.db2.gz PXYHBJMFALDYQR-NSHDSACASA-N 0 0 330.373 0.543 10 0 ECAERN CN(CC(N)=O)c1nc2ccc(Cl)cc2c(N(C)CC(N)=O)n1 ZINC000302720943 296899962 /nfs/dbraw/zinc/89/99/62/296899962.db2.gz HLKGAEDRDAMWRC-UHFFFAOYSA-N 0 0 336.783 0.126 10 0 ECAERN CCO[C@@H](C)c1noc(CN2CCN(Cc3nnc(C)n3C)CC2)n1 ZINC000120738170 221661173 /nfs/dbraw/zinc/66/11/73/221661173.db2.gz BSVRYUORIGEOKR-LBPRGKRZSA-N 0 0 349.439 0.922 10 0 ECAERN O=C(Nc1ccc(-n2cccn2)c(F)c1)C(=O)N1CCC[C@@H]1CO ZINC000121135196 221766641 /nfs/dbraw/zinc/76/66/41/221766641.db2.gz RYTHHXGCPDTJST-GFCCVEGCSA-N 0 0 332.335 0.933 10 0 ECAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCN(C2CC2)CC1 ZINC000122620733 222125179 /nfs/dbraw/zinc/12/51/79/222125179.db2.gz IWRNXHIBBFXEBO-ZDUSSCGKSA-N 0 0 334.424 0.749 10 0 ECAERN Cc1nnc(CN2CCN(C(=O)COc3ccc(F)cc3)CC2)n1C ZINC000123719406 222322345 /nfs/dbraw/zinc/32/23/45/222322345.db2.gz GPSDJXVRDITIIU-UHFFFAOYSA-N 0 0 347.394 0.986 10 0 ECAERN O=C(CSc1nnnn1C1CC1)N1CCC[C@H](n2cncn2)C1 ZINC000171662459 227203927 /nfs/dbraw/zinc/20/39/27/227203927.db2.gz ILDKTKSQCVYPFA-NSHDSACASA-N 0 0 334.409 0.555 10 0 ECAERN O=C(CCn1ccnn1)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000171810179 227294025 /nfs/dbraw/zinc/29/40/25/227294025.db2.gz CODFQVBCGWWSOJ-INIZCTEOSA-N 0 0 329.404 0.546 10 0 ECAERN Cn1c(N)c(C(=O)CN2CCC[C@H]2c2ccco2)c(=O)n(C)c1=O ZINC000116297598 263145817 /nfs/dbraw/zinc/14/58/17/263145817.db2.gz QOIIGHXPACTPKW-JTQLQIEISA-N 0 0 332.360 0.279 10 0 ECAERN CC[C@H](C(=O)N1CCN(CCOC)[C@H](CC)C1)N1CCCC1=O ZINC000173665308 263148865 /nfs/dbraw/zinc/14/88/65/263148865.db2.gz WZQBGJMMZRUTBU-HUUCEWRRSA-N 0 0 325.453 0.957 10 0 ECAERN CCc1nnc(CN2CCN(c3ncnc4c3cnn4C)CC2)n1C ZINC000195048917 263169979 /nfs/dbraw/zinc/16/99/79/263169979.db2.gz FCTQRTXIUVTBQJ-UHFFFAOYSA-N 0 0 341.423 0.376 10 0 ECAERN NC(=O)[C@H]1CCCN1Cc1cccc(NC(=O)[C@@H]2CNC(=O)C2)c1 ZINC000194820949 263170134 /nfs/dbraw/zinc/17/01/34/263170134.db2.gz UOVYSHQINQAMIP-GXTWGEPZSA-N 0 0 330.388 0.211 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)c2ccc3c(c2)NC(=O)CO3)C1 ZINC000262695722 263177598 /nfs/dbraw/zinc/17/75/98/263177598.db2.gz DOQBDZILHSNGCK-UHFFFAOYSA-N 0 0 347.371 0.685 10 0 ECAERN CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(Cc2cn3cccnc3n2)C1 ZINC000284544195 264226412 /nfs/dbraw/zinc/22/64/12/264226412.db2.gz GGOITKGHVIBRAU-GJZGRUSLSA-N 0 0 329.404 0.941 10 0 ECAERN NC(=O)[C@]1(O)CCCN(c2ncccc2C(=O)N2CCCCC2)C1 ZINC000284552882 264227525 /nfs/dbraw/zinc/22/75/25/264227525.db2.gz HMNNFSOCBJCDBJ-KRWDZBQOSA-N 0 0 332.404 0.524 10 0 ECAERN O=C(CCCNC(=O)c1ccsc1)N1CC(NC(=O)C2CC2)C1 ZINC000189417895 437598470 /nfs/dbraw/zinc/59/84/70/437598470.db2.gz QIQYYTQUEPUDJP-UHFFFAOYSA-N 0 0 335.429 0.995 10 0 ECAERN CC(C)(C)C(=O)OCOC(=O)[C@H]1N2C(=O)C[C@H]2S(=O)(=O)C1(C)C ZINC000005455977 278294662 /nfs/dbraw/zinc/29/46/62/278294662.db2.gz OHPVYKXTRACOSQ-NXEZZACHSA-N 0 0 347.389 0.210 10 0 ECAERN CN(C)C(=O)NCCNC(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1ccccc1 ZINC000181040158 281957855 /nfs/dbraw/zinc/95/78/55/281957855.db2.gz WKWBKSGXTFYTHD-ZBFHGGJFSA-N 0 0 346.431 0.984 10 0 ECAERN CN1C(=O)C[C@H](C(=O)NC[C@]2(O)CCOC2)[C@@H]1c1ccc(F)cc1 ZINC000179562320 289836002 /nfs/dbraw/zinc/83/60/02/289836002.db2.gz IYHNMKQYHCRYOZ-JLJPHGGASA-N 0 0 336.363 0.613 10 0 ECAERN CN1CC[C@H](NC(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2ccccc2)C1=O ZINC000172544661 290210503 /nfs/dbraw/zinc/21/05/03/290210503.db2.gz ANVFKNWSLKQMLW-IJEWVQPXSA-N 0 0 329.400 0.943 10 0 ECAERN COc1ccc(Br)c(C(=O)N2CCOC[C@@H]2C(N)=O)c1 ZINC000158168745 295075501 /nfs/dbraw/zinc/07/55/01/295075501.db2.gz IOUGHCVQSHVZQN-LLVKDONJSA-N 0 0 343.177 0.784 10 0 ECAERN NC(=O)[C@@H]1COCCN1C(=O)c1ccc(F)c(Br)c1 ZINC000091784397 295120330 /nfs/dbraw/zinc/12/03/30/295120330.db2.gz WKMFDEWLBQVFFZ-JTQLQIEISA-N 0 0 331.141 0.915 10 0 ECAERN CCS(=O)(=O)N1CC(CNC(=O)N2CC[C@@]3(CCOC3)C2)C1 ZINC000333052511 297104939 /nfs/dbraw/zinc/10/49/39/297104939.db2.gz HDWHJFHEWPPMJS-CQSZACIVSA-N 0 0 331.438 0.090 10 0 ECAERN CN1CCC[C@@H]1C(=O)N1CCNC(=O)[C@H]1Cc1nc2ccccc2o1 ZINC000333233768 297119986 /nfs/dbraw/zinc/11/99/86/297119986.db2.gz HEPFSLOYAYWZCV-ZIAGYGMSSA-N 0 0 342.399 0.792 10 0 ECAERN Cc1noc([C@@H]2CC[C@H](CNS(=O)(=O)[C@H]3CCO[C@@H]3C)O2)n1 ZINC000333564431 297142267 /nfs/dbraw/zinc/14/22/67/297142267.db2.gz SAHOTYZFEIGDJU-YJQGPUDQSA-N 0 0 331.394 0.695 10 0 ECAERN C[C@@H](NC(=O)N1CCC[C@H](N2CCNCC2=O)C1)c1cccnc1 ZINC000333930306 297156356 /nfs/dbraw/zinc/15/63/56/297156356.db2.gz YZYKYPPSILDWFE-HIFRSBDPSA-N 0 0 331.420 0.748 10 0 ECAERN CC(=O)N[C@H]1CCCN(C(=O)CCN2C(=O)c3ccccc3C2=O)C1 ZINC000337444544 297188580 /nfs/dbraw/zinc/18/85/80/297188580.db2.gz BOTWNANTXOWCQL-ZDUSSCGKSA-N 0 0 343.383 0.800 10 0 ECAERN CO[C@H]1C[C@@H](C(N)=O)N(CC(=O)NCc2cccc(Cl)c2)C1 ZINC000344532081 298033879 /nfs/dbraw/zinc/03/38/79/298033879.db2.gz ZDSKIXABGAVPOI-STQMWFEESA-N 0 0 325.796 0.531 10 0 ECAERN COCc1ccccc1CS(=O)(=O)N[C@H]1CCC(=O)N[C@H]1C ZINC000344830629 298072835 /nfs/dbraw/zinc/07/28/35/298072835.db2.gz VBTAIXKCYVQPGP-FZMZJTMJSA-N 0 0 326.418 0.920 10 0 ECAERN CCN(C(=O)CN1CCO[C@@H]2CCCC[C@@H]21)[C@@H]1CCS(=O)(=O)C1 ZINC000361934997 300143252 /nfs/dbraw/zinc/14/32/52/300143252.db2.gz APLCSOAJOJBYSE-QLFBSQMISA-N 0 0 344.477 0.665 10 0 ECAERN C[C@H]1CN(S(=O)(=O)CC2CCOCC2)C[C@H]1N1CCOCC1 ZINC000246453301 300276741 /nfs/dbraw/zinc/27/67/41/300276741.db2.gz IXFOVYSSROIZCL-DZGCQCFKSA-N 0 0 332.466 0.395 10 0 ECAERN CO[C@H]1C[C@H](C(=O)N(C)C[C@@H]2CCCC[C@@H]2O)N(S(C)(=O)=O)C1 ZINC000363756001 300291615 /nfs/dbraw/zinc/29/16/15/300291615.db2.gz XBOSTRYKJNTGRL-FQUUOJAGSA-N 0 0 348.465 0.045 10 0 ECAERN C[C@H]([NH3+])C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000002560943 435967905 /nfs/dbraw/zinc/96/79/05/435967905.db2.gz OSRZOHXQCUFIQG-UBHSHLNASA-N 0 0 333.388 0.137 10 0 ECAERN Cc1cc(CC(=O)N2CCO[C@@H](c3ccnc(N(C)C)n3)C2)[nH]n1 ZINC000369604318 300753861 /nfs/dbraw/zinc/75/38/61/300753861.db2.gz UDKDNOIHSUWXPF-CQSZACIVSA-N 0 0 330.392 0.717 10 0 ECAERN Cc1nc2nc(N)nn2c(C)c1CCC(=O)N[C@H](C)[C@H]1CCCO1 ZINC000073725277 436092214 /nfs/dbraw/zinc/09/22/14/436092214.db2.gz NQOVOYXUJXJOSA-ZWNOBZJWSA-N 0 0 332.408 0.940 10 0 ECAERN Cc1nc2nc(N)nn2c(C)c1CCC(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000073725275 436092565 /nfs/dbraw/zinc/09/25/65/436092565.db2.gz NQOVOYXUJXJOSA-GXFFZTMASA-N 0 0 332.408 0.940 10 0 ECAERN Cc1cc(C(=O)N2CCOC[C@H]2C(N)=O)c2c(n1)onc2C(C)C ZINC000180215419 301106440 /nfs/dbraw/zinc/10/64/40/301106440.db2.gz AKWQMQHSLQWOHB-NSHDSACASA-N 0 0 332.360 0.981 10 0 ECAERN Cc1cc(N2CCC[C@@H](NC(=O)c3ccc(C)[nH]c3=O)C2=O)n(C)n1 ZINC000175004274 301335380 /nfs/dbraw/zinc/33/53/80/301335380.db2.gz NZMNUNNGRVRPSV-CYBMUJFWSA-N 0 0 343.387 0.651 10 0 ECAERN C[C@@H]1COC[C@H](C)N1CC(=O)N1CCC(C(=O)N2CCCC2)CC1 ZINC000077365046 436234461 /nfs/dbraw/zinc/23/44/61/436234461.db2.gz QKAKMMCHIGVRFF-GASCZTMLSA-N 0 0 337.464 0.957 10 0 ECAERN COc1cc(OC)c2ncc(C(=O)N3CCN(C)CC3)c(O)c2c1 ZINC000033938646 436253158 /nfs/dbraw/zinc/25/31/58/436253158.db2.gz COMJBYRLBLXCGS-UHFFFAOYSA-N 0 0 331.372 0.933 10 0 ECAERN CCCNC(=O)CN1CCC(NC(=O)N[C@@H](C)[C@@H]2CCCO2)CC1 ZINC000041171929 436271182 /nfs/dbraw/zinc/27/11/82/436271182.db2.gz YBLXUFPFBQCZMV-ZFWWWQNUSA-N 0 0 340.468 0.844 10 0 ECAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)CCS(=O)(=O)CC(C)C ZINC000081580629 436351485 /nfs/dbraw/zinc/35/14/85/436351485.db2.gz VMFJRVBDFWKPPA-LBPRGKRZSA-N 0 0 328.438 0.999 10 0 ECAERN Cn1c(Cl)c(Cl)cc1C(=O)N1CC[C@@]2(C1)NC(=O)NC2=O ZINC000084795900 436385099 /nfs/dbraw/zinc/38/50/99/436385099.db2.gz KTRPYQMNEZOFAM-LBPRGKRZSA-N 0 0 331.159 0.756 10 0 ECAERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1ccc2oc(C)nc2c1 ZINC000091249192 436447112 /nfs/dbraw/zinc/44/71/12/436447112.db2.gz AKMPXMIKKGRTET-LBPRGKRZSA-N 0 0 330.344 0.812 10 0 ECAERN Cc1cc(C)n(-c2ccc(C(=O)N3CCOC[C@H]3C(N)=O)cn2)n1 ZINC000091779944 436459917 /nfs/dbraw/zinc/45/99/17/436459917.db2.gz ANNNECLLLURQMH-ZDUSSCGKSA-N 0 0 329.360 0.210 10 0 ECAERN C[C@@H](CNC(=O)NCC(=O)Nc1cccc(F)c1)N1CCOCC1 ZINC000051270707 436487741 /nfs/dbraw/zinc/48/77/41/436487741.db2.gz AJUXXUVGEVZWOB-LBPRGKRZSA-N 0 0 338.383 0.784 10 0 ECAERN CCc1noc([C@H](C)N2CCN(CCNS(=O)(=O)CC)CC2)n1 ZINC000109329031 436624836 /nfs/dbraw/zinc/62/48/36/436624836.db2.gz YCLIXQUEEYXNNG-LBPRGKRZSA-N 0 0 345.469 0.250 10 0 ECAERN Cc1nn(C)c(C)c1CN1CCN(Cc2nnnn2C(C)C)CC1 ZINC000105865992 436584079 /nfs/dbraw/zinc/58/40/79/436584079.db2.gz XLCHAZBZSLYZCI-UHFFFAOYSA-N 0 0 332.456 0.922 10 0 ECAERN Cc1cnn([C@@H]2CCCN(CC(=O)NCCCN3CCCC3=O)C2)c1 ZINC000105900615 436586000 /nfs/dbraw/zinc/58/60/00/436586000.db2.gz IZKMAPYCHYPIPV-MRXNPFEDSA-N 0 0 347.463 0.957 10 0 ECAERN COC(=O)[C@@H](CC(C)C)NC(=O)CN1CCC[C@H](n2cncn2)C1 ZINC000105898386 436587365 /nfs/dbraw/zinc/58/73/65/436587365.db2.gz IQMJXMXUOCBUNO-UONOGXRCSA-N 0 0 337.424 0.619 10 0 ECAERN Cc1cc(C)n(C[C@@H]2CN(Cc3nc(N)nc(N(C)C)n3)CCO2)n1 ZINC000106201432 436590953 /nfs/dbraw/zinc/59/09/53/436590953.db2.gz MREZDWNFMYMHLQ-ZDUSSCGKSA-N 0 0 346.439 0.234 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)CNC(=O)c2cc(C)cc(C)c2)CC1 ZINC000106403237 436595503 /nfs/dbraw/zinc/59/55/03/436595503.db2.gz POMWYDBJJXFRSI-QGZVFWFLSA-N 0 0 347.459 0.948 10 0 ECAERN Cn1cc(CN2CCCN(C(=O)NCCCn3cccn3)CC2)cn1 ZINC000115794257 436648560 /nfs/dbraw/zinc/64/85/60/436648560.db2.gz KIZVPEGNAZIXAO-UHFFFAOYSA-N 0 0 345.451 0.924 10 0 ECAERN Cn1cc([C@H]2CCN(C(=O)CCCN3C(=O)NC(C)(C)C3=O)C2)cn1 ZINC000116121138 436649444 /nfs/dbraw/zinc/64/94/44/436649444.db2.gz DINXABDJCNLUNQ-LBPRGKRZSA-N 0 0 347.419 0.847 10 0 ECAERN Cn1cc([C@@H]2CCN(CC(=O)NCC(C)(C)N3CCOCC3)C2)cn1 ZINC000116314558 436649863 /nfs/dbraw/zinc/64/98/63/436649863.db2.gz PPWAYVCKPHQIEN-OAHLLOKOSA-N 0 0 349.479 0.436 10 0 ECAERN Cc1nc(CN2CCCN(C(=O)NCC(=O)N(C)C)CC2)cs1 ZINC000116414700 436649896 /nfs/dbraw/zinc/64/98/96/436649896.db2.gz KBTIGJIHFWCRGI-UHFFFAOYSA-N 0 0 339.465 0.757 10 0 ECAERN COCCN1CCN(C(=O)[C@@H]2Cc3ccccc3C(=O)O2)C[C@H]1C ZINC000117295912 436655485 /nfs/dbraw/zinc/65/54/85/436655485.db2.gz UMOWGZKAVQSZPZ-CJNGLKHVSA-N 0 0 332.400 0.947 10 0 ECAERN O=C(NC[C@@H](O)CN1CCOCC1)Nc1cc(F)c(F)c(F)c1 ZINC000120685597 436696974 /nfs/dbraw/zinc/69/69/74/436696974.db2.gz DBIKIZNBVYGOQD-SNVBAGLBSA-N 0 0 333.310 0.919 10 0 ECAERN C[C@@H](NC(=O)C(=O)Nc1ccnn1Cc1ccccn1)[C@H]1CCCO1 ZINC000151241349 436699103 /nfs/dbraw/zinc/69/91/03/436699103.db2.gz JCTCBJZBFKREHN-TZMCWYRMSA-N 0 0 343.387 0.949 10 0 ECAERN O=C(Nc1ccc(Cn2cncn2)cc1)C(=O)N1CCC[C@H]1CO ZINC000120955244 436703206 /nfs/dbraw/zinc/70/32/06/436703206.db2.gz UIAHJJMMNXMUJJ-AWEZNQCLSA-N 0 0 329.360 0.248 10 0 ECAERN CN1CCN(C(=O)CN2CCC[C@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000121157450 436708515 /nfs/dbraw/zinc/70/85/15/436708515.db2.gz KOLAMIYWYYBTRB-AWEZNQCLSA-N 0 0 340.468 0.750 10 0 ECAERN Cc1cccc(C(=O)N2CCCN(C(=O)[C@@H](C)NC(N)=O)CC2)c1 ZINC000065776338 436671624 /nfs/dbraw/zinc/67/16/24/436671624.db2.gz WREJQTZFTBFPPN-CYBMUJFWSA-N 0 0 332.404 0.726 10 0 ECAERN CC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2cnn(CC(F)F)c2)C1 ZINC000153932425 436768038 /nfs/dbraw/zinc/76/80/38/436768038.db2.gz ZUFHIZBKKSFAOP-JTQLQIEISA-N 0 0 343.334 0.214 10 0 ECAERN C[C@H](CNC(=O)N1CC[C@@H](Oc2ccncc2)C1)N1CCOCC1 ZINC000153840023 436764076 /nfs/dbraw/zinc/76/40/76/436764076.db2.gz UFZSRMMYMFSDRZ-GDBMZVCRSA-N 0 0 334.420 0.965 10 0 ECAERN CCn1cc([C@@H]2CN(C[C@@H](O)COC[C@H]3CCCO3)CCO2)cn1 ZINC000248714609 436809233 /nfs/dbraw/zinc/80/92/33/436809233.db2.gz JXNSFOKAWZCLDE-ZACQAIPSSA-N 0 0 339.436 0.833 10 0 ECAERN O=C(NC[C@@H](O)CN1CCOCC1)c1sccc1OC(F)F ZINC000128136070 436813212 /nfs/dbraw/zinc/81/32/12/436813212.db2.gz VXHGJNIHBUMOCZ-SECBINFHSA-N 0 0 336.360 0.772 10 0 ECAERN O=C(CCCOc1ccc(F)cc1)NC[C@H](O)CN1CCOCC1 ZINC000129008115 436822477 /nfs/dbraw/zinc/82/24/77/436822477.db2.gz AMGMBRHYRHILQN-HNNXBMFYSA-N 0 0 340.395 0.794 10 0 ECAERN COCCNc1ccccc1CNC(=O)NC[C@@H]1CN(C)CCO1 ZINC000128389779 436815577 /nfs/dbraw/zinc/81/55/77/436815577.db2.gz UGRADYLMUGNWJK-OAHLLOKOSA-N 0 0 336.436 0.875 10 0 ECAERN O=C(CO)N1CCN(C(=O)[C@@H]2CCCO[C@H]2c2ccccc2)CC1 ZINC000128765445 436819406 /nfs/dbraw/zinc/81/94/06/436819406.db2.gz BVABFICAVOTANC-WBVHZDCISA-N 0 0 332.400 0.817 10 0 ECAERN C[C@@H]1CC[C@@H](C(=O)N2CCN([C@H](C(N)=O)c3ccccc3)CC2)O1 ZINC000126016625 436779638 /nfs/dbraw/zinc/77/96/38/436779638.db2.gz QXQHCHMDDMTKCE-KBMXLJTQSA-N 0 0 331.416 0.925 10 0 ECAERN NC(=O)[C@H]1COCCN1S(=O)(=O)c1ccc(Br)cc1 ZINC000126604954 436788853 /nfs/dbraw/zinc/78/88/53/436788853.db2.gz ROXHAPTVJJDTQW-SNVBAGLBSA-N 0 0 349.206 0.324 10 0 ECAERN Cn1cnn(CN2C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)[C@@H]3C2)c1=O ZINC000248621296 436805611 /nfs/dbraw/zinc/80/56/11/436805611.db2.gz MZIJUHHVVZEHBA-XQQFMLRXSA-N 0 0 337.424 0.774 10 0 ECAERN COC[C@@H]1CN(S(=O)(=O)c2cn(C)cn2)C[C@H]1c1ccccn1 ZINC000253411550 436843120 /nfs/dbraw/zinc/84/31/20/436843120.db2.gz OTZDLDOILYTCLN-QWHCGFSZSA-N 0 0 336.417 0.866 10 0 ECAERN CC[C@H]1CN(C(=O)C(=O)Nc2cnn(CC)c2)CCN1C[C@@H](C)O ZINC000130860797 436843441 /nfs/dbraw/zinc/84/34/41/436843441.db2.gz QLIKRXMLBPYNID-OCCSQVGLSA-N 0 0 337.424 0.145 10 0 ECAERN CC(C)[C@H](O)CC(=O)NCC(=O)N1CCN(c2ccccc2)CC1 ZINC000157961079 436835912 /nfs/dbraw/zinc/83/59/12/436835912.db2.gz YPPFWIONHQRYBR-MRXNPFEDSA-N 0 0 333.432 0.858 10 0 ECAERN CS(=O)(=O)c1cc(C(=O)N[C@H]2CCc3ncnn3C2)cs1 ZINC000162723865 436912369 /nfs/dbraw/zinc/91/23/69/436912369.db2.gz QVNDGHCRQDNVLD-VIFPVBQESA-N 0 0 326.403 0.488 10 0 ECAERN O=S(=O)(Cc1c(F)cccc1F)N[C@@H]1CCc2ncnn2C1 ZINC000162766232 436912464 /nfs/dbraw/zinc/91/24/64/436912464.db2.gz MZZODUGOFWSAKC-SECBINFHSA-N 0 0 328.344 0.991 10 0 ECAERN Cc1[nH]c(=O)c(C(=O)NC[C@H]2CN(C)CCO2)cc1Br ZINC000163150347 436918770 /nfs/dbraw/zinc/91/87/70/436918770.db2.gz XNDOWGTWHVRNMS-VIFPVBQESA-N 0 0 344.209 0.919 10 0 ECAERN C[C@H]1OCC[C@H]1S(=O)(=O)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000135672589 436922127 /nfs/dbraw/zinc/92/21/27/436922127.db2.gz YWDSHJNFCGRHSZ-UKRRQHHQSA-N 0 0 342.465 0.435 10 0 ECAERN CCCCN1CCOC[C@H]1C(=O)NC1CC([N@H+](CC)CC(=O)[O-])C1 ZINC000263427803 436965500 /nfs/dbraw/zinc/96/55/00/436965500.db2.gz MNGUVNDDWJZAPD-NRXISQOPSA-N 0 0 341.452 0.541 10 0 ECAERN C[C@H](NC(=O)Nc1ccccc1)C(=O)N(C)CCN1CCOCC1 ZINC000171418461 436977405 /nfs/dbraw/zinc/97/74/05/436977405.db2.gz WROWOEGASAYTEN-AWEZNQCLSA-N 0 0 334.420 0.987 10 0 ECAERN CCc1nnc([C@H]2CN(C(=O)CCc3cnn(C)c3C)CCO2)[nH]1 ZINC000136438524 436933360 /nfs/dbraw/zinc/93/33/60/436933360.db2.gz SQBKPLTYKUWMRQ-CYBMUJFWSA-N 0 0 332.408 0.942 10 0 ECAERN COc1ccc(F)cc1C(=O)N1CCO[C@@H](C[N@H+](C)CC(=O)[O-])C1 ZINC000262966787 436946985 /nfs/dbraw/zinc/94/69/85/436946985.db2.gz XDYCJFGRHBFKBU-LBPRGKRZSA-N 0 0 340.351 0.692 10 0 ECAERN O=C(NC1CCN(C(=O)c2ccoc2)CC1)[C@H]1CC(F)(F)CN1 ZINC000263003195 436947590 /nfs/dbraw/zinc/94/75/90/436947590.db2.gz OYFQZXOYFDMFCG-GFCCVEGCSA-N 0 0 327.331 0.998 10 0 ECAERN Cc1ccc(S(=O)(=O)NCCNC(=O)[C@@H]2CC(F)(F)CN2)cc1 ZINC000262999550 436948276 /nfs/dbraw/zinc/94/82/76/436948276.db2.gz OOLFVFXIOPHPNJ-LBPRGKRZSA-N 0 0 347.387 0.387 10 0 ECAERN CCS(=O)(=O)NCCNC(=O)N1CCC[C@H]1c1cnn(C)c1 ZINC000170893945 436958190 /nfs/dbraw/zinc/95/81/90/436958190.db2.gz VKYYMJBXMSKMMZ-LBPRGKRZSA-N 0 0 329.426 0.206 10 0 ECAERN CN([C@@H]1CCCN(c2cccnn2)C1)S(=O)(=O)C[C@@H]1CCCO1 ZINC000172459847 437015454 /nfs/dbraw/zinc/01/54/54/437015454.db2.gz RPBTZCJQIROABO-KGLIPLIRSA-N 0 0 340.449 0.886 10 0 ECAERN O=C(Cc1cccc(F)c1)NCC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000172753313 437027197 /nfs/dbraw/zinc/02/71/97/437027197.db2.gz PRBTVAFXXMOPGB-MRXNPFEDSA-N 0 0 349.406 0.418 10 0 ECAERN CN1C(=O)CC[C@@H](C(=O)N2CCNC(=O)CC2)[C@@H]1c1ccccc1 ZINC000171801372 436989045 /nfs/dbraw/zinc/98/90/45/436989045.db2.gz ALMVZYQBOVBYNG-PBHICJAKSA-N 0 0 329.400 0.945 10 0 ECAERN CC(C)(C)n1cc(CN2CCN(C(=O)[C@H]3COCCO3)CC2)cn1 ZINC000172111473 436999140 /nfs/dbraw/zinc/99/91/40/436999140.db2.gz RWHLVRCASCSTBS-OAHLLOKOSA-N 0 0 336.436 0.698 10 0 ECAERN Cc1cnn(CCNC(=O)NCc2cccc(S(N)(=O)=O)c2)c1 ZINC000172275864 437007254 /nfs/dbraw/zinc/00/72/54/437007254.db2.gz QNNLBQGFLCYACT-UHFFFAOYSA-N 0 0 337.405 0.338 10 0 ECAERN COCCN1CCN(C(=O)NCCC(=O)N2CCCCC2)C[C@@H]1C ZINC000172325129 437010497 /nfs/dbraw/zinc/01/04/97/437010497.db2.gz KVZPSJAKIDASPH-HNNXBMFYSA-N 0 0 340.468 0.751 10 0 ECAERN C[C@H](NC(=O)N(C)[C@H]1CCCN(c2cccnn2)C1)C(=O)N(C)C ZINC000172446688 437014448 /nfs/dbraw/zinc/01/44/48/437014448.db2.gz CJTNBGVRZJNEFS-STQMWFEESA-N 0 0 334.424 0.564 10 0 ECAERN Cc1cnn(CCNC(=O)N[C@H]2CCN(c3cc(C)nn3C)C2=O)c1 ZINC000173202487 437042142 /nfs/dbraw/zinc/04/21/42/437042142.db2.gz SMGHADUDAHQLRT-ZDUSSCGKSA-N 0 0 345.407 0.338 10 0 ECAERN CC[C@@H](COC)NC(=O)N[C@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000173257531 437043025 /nfs/dbraw/zinc/04/30/25/437043025.db2.gz SQHSTRVROGUUNO-STQMWFEESA-N 0 0 337.424 0.948 10 0 ECAERN Cn1cc(S(=O)(=O)NCCN2CCCC[C@@H]2c2cn[nH]c2)cn1 ZINC000173401173 437048425 /nfs/dbraw/zinc/04/84/25/437048425.db2.gz YPIPZWDPHXFIKX-CQSZACIVSA-N 0 0 338.437 0.649 10 0 ECAERN CNc1cc(N2CCC[C@H]2CNC(=O)[C@@H](C)n2cncn2)ncn1 ZINC000173435673 437049944 /nfs/dbraw/zinc/04/99/44/437049944.db2.gz JMRCZUNHUDYEAJ-NEPJUHHUSA-N 0 0 330.396 0.456 10 0 ECAERN CNc1cc(N2CCC[C@H]2CNC(=O)CCn2cncn2)ncn1 ZINC000173425415 437050897 /nfs/dbraw/zinc/05/08/97/437050897.db2.gz SLSAHGBCVSNKMP-LBPRGKRZSA-N 0 0 330.396 0.285 10 0 ECAERN Cc1nnc([C@@H]2CN(C(=O)CCc3c(C)nn(C)c3C)CCO2)[nH]1 ZINC000173542542 437056083 /nfs/dbraw/zinc/05/60/83/437056083.db2.gz GALXUNUYHAATED-AWEZNQCLSA-N 0 0 332.408 0.996 10 0 ECAERN CCC[C@H](O)CNC(=O)N[C@@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000173567086 437057248 /nfs/dbraw/zinc/05/72/48/437057248.db2.gz DDLGGMIYNVFGCK-QWHCGFSZSA-N 0 0 337.424 0.684 10 0 ECAERN Cc1nnc([C@H]2CN(C(=O)CNC(=O)c3ccccc3)CCO2)[nH]1 ZINC000173604773 437058806 /nfs/dbraw/zinc/05/88/06/437058806.db2.gz WUZJCGFXZGUREO-CYBMUJFWSA-N 0 0 329.360 0.443 10 0 ECAERN C[C@H]1CN(C(=O)CNC(=O)CC(C)(C)C)C[C@H]1N1CCOCC1 ZINC000173836592 437065504 /nfs/dbraw/zinc/06/55/04/437065504.db2.gz PQDMZQDFCKNZDE-UONOGXRCSA-N 0 0 325.453 0.718 10 0 ECAERN CC(C)NC(=O)CCCC(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000173832368 437066691 /nfs/dbraw/zinc/06/66/91/437066691.db2.gz KQRBKGNNINAPDI-GJZGRUSLSA-N 0 0 325.453 0.860 10 0 ECAERN NC(=O)c1ccc(NC(=O)N2CC[C@H](N3CCOCC3)C2)cc1F ZINC000173901282 437068078 /nfs/dbraw/zinc/06/80/78/437068078.db2.gz NXZMPNWUNFADQF-LBPRGKRZSA-N 0 0 336.367 0.863 10 0 ECAERN C[C@H](NC(=O)CCNS(C)(=O)=O)c1cccc(-n2ccnc2)c1 ZINC000173924725 437068593 /nfs/dbraw/zinc/06/85/93/437068593.db2.gz CCJRMBMXKOBXLN-LBPRGKRZSA-N 0 0 336.417 0.989 10 0 ECAERN CC(C)(C)[S@](=O)CCNC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000173890857 437069210 /nfs/dbraw/zinc/06/92/10/437069210.db2.gz ZMICHLPUNPNGLV-MCMMXHMISA-N 0 0 331.482 0.650 10 0 ECAERN CCN(CC)S(=O)(=O)CC(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000174913176 437089151 /nfs/dbraw/zinc/08/91/51/437089151.db2.gz LJRWOLKHPMBWSX-LBPRGKRZSA-N 0 0 328.438 0.408 10 0 ECAERN NC(=O)[C@@H]1COCCN1S(=O)(=O)c1ccccc1C(F)(F)F ZINC000179687059 303308667 /nfs/dbraw/zinc/30/86/67/303308667.db2.gz MWHWBKJJWXGUFC-VIFPVBQESA-N 0 0 338.307 0.580 10 0 ECAERN CCn1cc(C2CCN(C(=O)CN3C(=O)NC(=O)C3(C)C)CC2)cn1 ZINC000175063162 437093907 /nfs/dbraw/zinc/09/39/07/437093907.db2.gz GCHDADUGVIASQP-UHFFFAOYSA-N 0 0 347.419 0.939 10 0 ECAERN [NH3+]CC[C@@H]1CN(c2nccc(-c3cc(C(=O)[O-])ccn3)n2)CCO1 ZINC000072438406 303387032 /nfs/dbraw/zinc/38/70/32/303387032.db2.gz UVZUOCSDRRYKSP-GFCCVEGCSA-N 0 0 329.360 0.791 10 0 ECAERN Cc1cc(NC(=O)CN2C[C@@H](C(N)=O)[C@H](C(F)(F)F)C2)n(C)n1 ZINC000299744386 437108654 /nfs/dbraw/zinc/10/86/54/437108654.db2.gz OLVAPPSQXQUCFV-RKDXNWHRSA-N 0 0 333.314 0.263 10 0 ECAERN CC[C@@H]1CN(C(=O)CC2(CS(C)(=O)=O)CC2)CCN1C[C@@H](C)O ZINC000176921114 437162356 /nfs/dbraw/zinc/16/23/56/437162356.db2.gz DBEGJFCDKUYEPV-ZIAGYGMSSA-N 0 0 346.493 0.505 10 0 ECAERN CC(C)NC(=O)CCNC(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000175653828 437113170 /nfs/dbraw/zinc/11/31/70/437113170.db2.gz LVVOTYYQVBOXTH-UONOGXRCSA-N 0 0 326.441 0.263 10 0 ECAERN COCCN1CCN(C(=O)C(=O)Nc2ccnn2C(C)C)C[C@H]1C ZINC000176036871 437126905 /nfs/dbraw/zinc/12/69/05/437126905.db2.gz ICPNRXGPJMFGDC-CYBMUJFWSA-N 0 0 337.424 0.582 10 0 ECAERN CN1CCO[C@H]2CN(c3cnn(C)c(=O)c3Br)C[C@H]21 ZINC000301644131 437128298 /nfs/dbraw/zinc/12/82/98/437128298.db2.gz HHLMNXIFUWCGFQ-ZJUUUORDSA-N 0 0 329.198 0.062 10 0 ECAERN C[C@@H]1CCCN(c2cc(NC[C@@H](O)CN3CCOCC3)ncn2)C1 ZINC000301712113 437131436 /nfs/dbraw/zinc/13/14/36/437131436.db2.gz FARFWNBBQNLTJP-HUUCEWRRSA-N 0 0 335.452 0.818 10 0 ECAERN O=C(NCCNC(=O)c1cccs1)N[C@@H]1CCCn2ncnc21 ZINC000177356454 437182223 /nfs/dbraw/zinc/18/22/23/437182223.db2.gz XVIYUVAVPOPLGB-SNVBAGLBSA-N 0 0 334.405 0.904 10 0 ECAERN Cn1ccc2ccc(NC(=O)C(=O)N[C@@H]3CCc4ncnn4C3)cc21 ZINC000177628517 437192847 /nfs/dbraw/zinc/19/28/47/437192847.db2.gz CCPPRJVHSTUMAJ-CYBMUJFWSA-N 0 0 338.371 0.840 10 0 ECAERN CNC(=O)[C@H](NC(=O)N1CCO[C@H](Cn2cc(C)cn2)C1)C(C)C ZINC000178410077 437214817 /nfs/dbraw/zinc/21/48/17/437214817.db2.gz YXCIGWANBAKUEP-UONOGXRCSA-N 0 0 337.424 0.373 10 0 ECAERN CC(C)(C)OC(=O)N1CC[C@H](C(=O)NC[C@@H]2CN3CCN2CC3)C1 ZINC000178647241 437223099 /nfs/dbraw/zinc/22/30/99/437223099.db2.gz YKRGKVXYDMSYSB-UONOGXRCSA-N 0 0 338.452 0.359 10 0 ECAERN CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CN2CCN1CC2 ZINC000178730576 437227703 /nfs/dbraw/zinc/22/77/03/437227703.db2.gz KZQYCHFTZYMNRQ-ZIAGYGMSSA-N 0 0 340.468 0.796 10 0 ECAERN CCn1cc([C@@H]2CS(=O)(=O)CCN2C(=O)[C@@H]2CC[C@H](C)O2)cn1 ZINC000328638468 437245005 /nfs/dbraw/zinc/24/50/05/437245005.db2.gz WLCIRXKBZCIGRE-UBHSHLNASA-N 0 0 341.433 0.769 10 0 ECAERN CCn1c2ccc(C(=O)N[C@@H](C(=O)NC)C(C)C)cc2[nH]c(=O)c1=O ZINC000179127454 437252772 /nfs/dbraw/zinc/25/27/72/437252772.db2.gz ZMUUBIAZVWGUFB-CYBMUJFWSA-N 0 0 346.387 0.210 10 0 ECAERN Cc1nc2nc(N)nn2c(C)c1CCC(=O)N[C@@H]1CCCC[C@@H]1CO ZINC000179212948 437254876 /nfs/dbraw/zinc/25/48/76/437254876.db2.gz SWBWMQKPPJLJIL-TZMCWYRMSA-N 0 0 346.435 0.923 10 0 ECAERN CCn1cc(CN2CCCN(C(=O)Nc3ncnn3C)CC2)cn1 ZINC000181258555 437315758 /nfs/dbraw/zinc/31/57/58/437315758.db2.gz QOZLKVKALMULPM-UHFFFAOYSA-N 0 0 332.412 0.771 10 0 ECAERN CN1C(=O)C[C@@H](C(=O)NCCCOCCO)[C@@H]1c1ccc(F)cc1 ZINC000180373399 437287336 /nfs/dbraw/zinc/28/73/36/437287336.db2.gz XUTIXCQTXFMWJL-ZBFHGGJFSA-N 0 0 338.379 0.860 10 0 ECAERN C[C@@H](NC[C@H](O)CN1CCCC1=O)c1cn(-c2ccccc2)nn1 ZINC000180441598 437292309 /nfs/dbraw/zinc/29/23/09/437292309.db2.gz JZFPUCUDSHMCGX-HIFRSBDPSA-N 0 0 329.404 0.901 10 0 ECAERN C[C@H](NC[C@H](O)CN1CCCC1=O)c1cn(-c2ccccc2)nn1 ZINC000180441580 437292352 /nfs/dbraw/zinc/29/23/52/437292352.db2.gz JZFPUCUDSHMCGX-ZFWWWQNUSA-N 0 0 329.404 0.901 10 0 ECAERN CNC(=O)[C@H](NC(=O)C(=O)Nc1ccc(-c2cc[nH]n2)cc1)C(C)C ZINC000181918480 437334021 /nfs/dbraw/zinc/33/40/21/437334021.db2.gz DWCSGMJDSOGRIA-CQSZACIVSA-N 0 0 343.387 0.902 10 0 ECAERN Cc1cnn(CCNC(=O)c2cc(S(=O)(=O)N(C)C)cn2C)c1 ZINC000181996046 437335626 /nfs/dbraw/zinc/33/56/26/437335626.db2.gz WDNHTQIYLXXPLY-UHFFFAOYSA-N 0 0 339.421 0.210 10 0 ECAERN CCCC(=O)N[C@@H]1CCCN(C(=O)c2cn(CC3(C)COC3)nn2)C1 ZINC000184564538 437405186 /nfs/dbraw/zinc/40/51/86/437405186.db2.gz YVNSEZBGVJERBC-CYBMUJFWSA-N 0 0 349.435 0.836 10 0 ECAERN COCCN1CCN(C(=O)c2cn(CC3(C)COC3)nn2)C[C@@H]1C ZINC000184906784 437416774 /nfs/dbraw/zinc/41/67/74/437416774.db2.gz CPMCOKIVXXAZAF-ZDUSSCGKSA-N 0 0 337.424 0.107 10 0 ECAERN CNc1cc(N2CCC[C@@H]2CNC(=O)NCC(F)(F)CO)ncn1 ZINC000185010878 437422173 /nfs/dbraw/zinc/42/21/73/437422173.db2.gz UVZCUKKAWSNKOP-SNVBAGLBSA-N 0 0 344.366 0.414 10 0 ECAERN Cc1noc([C@H]2COCCN2CC(=O)NCCOc2ccccc2)n1 ZINC000185064347 437424757 /nfs/dbraw/zinc/42/47/57/437424757.db2.gz LNMATJVKBUXUQX-OAHLLOKOSA-N 0 0 346.387 0.947 10 0 ECAERN COCC(=O)NC1CN(C[C@H](O)Cn2cnc3cc(C)c(C)cc32)C1 ZINC000185089388 437424837 /nfs/dbraw/zinc/42/48/37/437424837.db2.gz HGMJAXLTCTVYRM-HNNXBMFYSA-N 0 0 346.431 0.461 10 0 ECAERN O=C(Nc1ccccc1)c1nnc(CN2C[C@H](O)C[C@@H]2CO)s1 ZINC000185140791 437428194 /nfs/dbraw/zinc/42/81/94/437428194.db2.gz JUKGAHNTGMZMEW-VXGBXAGGSA-N 0 0 334.401 0.718 10 0 ECAERN NC(=O)[C@H]1COCCN1S(=O)(=O)Cc1cc(Cl)ccc1F ZINC000183359238 437383240 /nfs/dbraw/zinc/38/32/40/437383240.db2.gz OSDBLLKLYUHSCL-LLVKDONJSA-N 0 0 336.772 0.495 10 0 ECAERN O=C(c1ccccc1-n1ccnn1)N1CC[C@@H](N2CCOCC2)C1 ZINC000183362912 437383678 /nfs/dbraw/zinc/38/36/78/437383678.db2.gz BKMBOKIAOMCZHV-CQSZACIVSA-N 0 0 327.388 0.814 10 0 ECAERN O=C(CNC(=O)N1CCCC[C@H]1CN1CCOCC1)NCC1CC1 ZINC000183786072 437390513 /nfs/dbraw/zinc/39/05/13/437390513.db2.gz IDZRENGIRMGENO-HNNXBMFYSA-N 0 0 338.452 0.409 10 0 ECAERN COCC(=O)NC1CN(C(=O)C2CCN(c3ccc(C)cn3)CC2)C1 ZINC000186317484 437469689 /nfs/dbraw/zinc/46/96/89/437469689.db2.gz WTCATTFQGCJBIK-UHFFFAOYSA-N 0 0 346.431 0.580 10 0 ECAERN Cc1noc([C@@H]2COCCN2C(=O)CNC(=O)c2ccc(F)cc2)n1 ZINC000186610553 437477945 /nfs/dbraw/zinc/47/79/45/437477945.db2.gz HLTHAWVXHQJHGK-ZDUSSCGKSA-N 0 0 348.334 0.847 10 0 ECAERN COCC(=O)NC1CN(C(=O)N[C@H](C)Cc2c(C)nn(C)c2C)C1 ZINC000185531873 437442606 /nfs/dbraw/zinc/44/26/06/437442606.db2.gz SMJMHEDYXGRLCZ-SNVBAGLBSA-N 0 0 337.424 0.124 10 0 ECAERN CC[C@H]1CN(S(=O)(=O)c2ccc(N)cc2)CCN1C[C@@H](C)O ZINC000186090705 437460797 /nfs/dbraw/zinc/46/07/97/437460797.db2.gz PWJZWLUIQYZTFN-OCCSQVGLSA-N 0 0 327.450 0.735 10 0 ECAERN Cc1cc(NC(=O)C(=O)N2C[C@H](CO)[C@@H](c3ccsc3)C2)n(C)n1 ZINC000186311366 437469354 /nfs/dbraw/zinc/46/93/54/437469354.db2.gz GLVSMGWLJLMDIS-CHWSQXEVSA-N 0 0 348.428 0.963 10 0 ECAERN CC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2cnn([C@@H](C)C3CC3)c2)C1 ZINC000188529376 437555324 /nfs/dbraw/zinc/55/53/24/437555324.db2.gz GNOYPCSEDVLVGF-FZMZJTMJSA-N 0 0 347.419 0.920 10 0 ECAERN CS(=O)(=O)CC1(CC(=O)N2CC(NC(=O)C3CCC3)C2)CC1 ZINC000188521978 437555378 /nfs/dbraw/zinc/55/53/78/437555378.db2.gz PLFDROKJHUDYHO-UHFFFAOYSA-N 0 0 328.434 0.328 10 0 ECAERN CC(=O)NC1CN(S(=O)(=O)c2c(Cl)nc3ccccn32)C1 ZINC000188555862 437557059 /nfs/dbraw/zinc/55/70/59/437557059.db2.gz PONBSSRCORDPCE-UHFFFAOYSA-N 0 0 328.781 0.497 10 0 ECAERN O=C(NCCNC(=O)N1CC(NC(=O)C2CCC2)C1)c1ccco1 ZINC000188786816 437573825 /nfs/dbraw/zinc/57/38/25/437573825.db2.gz PRBWVLLVYGVVPO-UHFFFAOYSA-N 0 0 334.376 0.320 10 0 ECAERN CC(=O)NC1CN(C(=O)[C@H](C(C)C)n2nnc(-c3ccccc3)n2)C1 ZINC000190519609 437628406 /nfs/dbraw/zinc/62/84/06/437628406.db2.gz ASTRQSQMLDZCQY-HNNXBMFYSA-N 0 0 342.403 0.884 10 0 ECAERN NC(=O)[C@@H]1COCCN1S(=O)(=O)Cc1ccc(Cl)c(F)c1 ZINC000192822026 437691378 /nfs/dbraw/zinc/69/13/78/437691378.db2.gz OBHKJCDDDOKUNI-NSHDSACASA-N 0 0 336.772 0.495 10 0 ECAERN CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc3c(c2)CC(=O)N3C)C1 ZINC000192739158 437687435 /nfs/dbraw/zinc/68/74/35/437687435.db2.gz XWTGURXOGBFUKE-AWEZNQCLSA-N 0 0 344.415 0.745 10 0 ECAERN CCCCN1CCOC[C@H]1C(=O)N1CC[C@@H](C)S(=O)(=O)CC1 ZINC000365309886 437892766 /nfs/dbraw/zinc/89/27/66/437892766.db2.gz PQJDDHOKVRRDCP-KGLIPLIRSA-N 0 0 332.466 0.523 10 0 ECAERN COCCN1CCN(C(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)C[C@@H]1C ZINC000371739606 437984642 /nfs/dbraw/zinc/98/46/42/437984642.db2.gz OATMWLDBDUKRTI-XEZPLFJOSA-N 0 0 341.477 0.620 10 0 ECAERN COc1cc(CN(C)C(=O)[C@@H]2COCCN2C(C)=O)cc(OC)c1 ZINC000372854995 438114399 /nfs/dbraw/zinc/11/43/99/438114399.db2.gz ISFDTMDIWYJZPD-INIZCTEOSA-N 0 0 336.388 0.910 10 0 ECAERN CC(=O)N1CCOC[C@@H]1C(=O)N1CCN(c2cnccc2C)CC1 ZINC000366905274 438144096 /nfs/dbraw/zinc/14/40/96/438144096.db2.gz SYWQZDZRHMNRKH-MRXNPFEDSA-N 0 0 332.404 0.286 10 0 ECAERN CC1(C)NC(=O)CC[C@H]1NC(=O)N[C@H]1CCCN(c2ncccn2)C1 ZINC000374688600 438224317 /nfs/dbraw/zinc/22/43/17/438224317.db2.gz ZBPJBWOCMBQPCQ-QWHCGFSZSA-N 0 0 346.435 0.802 10 0 ECAERN CSCC[C@H](O)C(=O)N1CC[C@@H](Nc2ccc3nccn3n2)C1 ZINC000580801604 439131457 /nfs/dbraw/zinc/13/14/57/439131457.db2.gz QGLGEUIXVVUEMJ-NEPJUHHUSA-N 0 0 335.433 0.856 10 0 ECAERN Cc1ccc(CN(C(=O)CN2CC[C@@](O)(c3cn[nH]n3)C2)C2CC2)o1 ZINC000583618374 439488344 /nfs/dbraw/zinc/48/83/44/439488344.db2.gz RJJLFJYODLNPGM-KRWDZBQOSA-N 0 0 345.403 0.791 10 0 ECAERN CC(=O)N[C@H]1CC[C@@H](C(F)(F)F)N(C(=O)C2=NN(C)C(=O)CC2)C1 ZINC000583621139 439489845 /nfs/dbraw/zinc/48/98/45/439489845.db2.gz AWACBNFRZLJYDI-ONGXEEELSA-N 0 0 348.325 0.653 10 0 ECAERN CN1C(=O)C[C@@H](NC(=O)c2ccc3nncn3c2)[C@@H]1c1cccnc1 ZINC000583621030 439489850 /nfs/dbraw/zinc/48/98/50/439489850.db2.gz MWMGJERCUBIBIN-CJNGLKHVSA-N 0 0 336.355 0.826 10 0 ECAERN Nc1ccn(C[C@@H]2CO[C@H](COC(=O)c3ccccc3)O2)c(=O)n1 ZINC000584662064 439606340 /nfs/dbraw/zinc/60/63/40/439606340.db2.gz SPAOUVOEZFZVRJ-OCCSQVGLSA-N 0 0 331.328 0.667 10 0 ECAERN NC(=O)c1ccccc1[C@@H]1c2ccccc2CCN1S(N)(=O)=O ZINC000616690901 439820903 /nfs/dbraw/zinc/82/09/03/439820903.db2.gz UWJANQOJZCBKCI-HNNXBMFYSA-N 0 0 331.397 0.937 10 0 ECAERN CNC(=O)[C@@]1(COC)CCCN1C(=O)c1ccc(N2CCCC2)nn1 ZINC000643950964 440390066 /nfs/dbraw/zinc/39/00/66/440390066.db2.gz UQHUXJAUPZCBPB-KRWDZBQOSA-N 0 0 347.419 0.444 10 0 ECAERN Cn1cc(O[C@@H]2CN(C(=O)Cc3ccc4c(c3)CCO4)C[C@H]2O)cn1 ZINC000628257437 440443161 /nfs/dbraw/zinc/44/31/61/440443161.db2.gz MZKBJHPWGNYYJR-NVXWUHKLSA-N 0 0 343.383 0.548 10 0 ECAERN Cc1nnc2n1C[C@@H](C(=O)NCc1cccc3c1OCO3)N(C)C2 ZINC000644316199 440522622 /nfs/dbraw/zinc/52/26/22/440522622.db2.gz ZDQIPBKBLHMCTL-LBPRGKRZSA-N 0 0 329.360 0.446 10 0 ECAERN CCOc1ccccc1CNC(=O)C[C@H]1CS(=O)(=O)CCN1C ZINC000644314790 440523940 /nfs/dbraw/zinc/52/39/40/440523940.db2.gz OKUWAOJNPJDTBQ-AWEZNQCLSA-N 0 0 340.445 0.820 10 0 ECAERN O=C(CN1CCCC[C@H](O)C1=O)NCc1ccc2c(c1)OCCCO2 ZINC000644344860 440538706 /nfs/dbraw/zinc/53/87/06/440538706.db2.gz SEEAHANVSSANTE-AWEZNQCLSA-N 0 0 348.399 0.838 10 0 ECAERN CC[C@]1(O)CCC[N@H+](C[C@H](O)CN2C(=O)c3ccccc3C2=O)C1 ZINC000640031204 440859481 /nfs/dbraw/zinc/85/94/81/440859481.db2.gz PQCYMLPMFRGOIY-UGSOOPFHSA-N 0 0 332.400 0.880 10 0 ECAERN Cc1ccc(S(=O)(=O)N[C@@H]2CCNC2=O)c(Br)c1 ZINC000657030844 440926169 /nfs/dbraw/zinc/92/61/69/440926169.db2.gz TZBKHFTWPAKJOB-SECBINFHSA-N 0 0 333.207 0.924 10 0 ECAERN CN(C)C(=O)CCNC(=O)[C@@H]1CC[C@@H](C(=O)[O-])N1Cc1ccccc1 ZINC000630659378 440934664 /nfs/dbraw/zinc/93/46/64/440934664.db2.gz SECFKQNDZUZUTK-GJZGRUSLSA-N 0 0 347.415 0.699 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)NCc2cccc(N(C)C)n2)CC1 ZINC000182048918 320529082 /nfs/dbraw/zinc/52/90/82/320529082.db2.gz MJJUXXXAKRQDNH-OAHLLOKOSA-N 0 0 335.452 0.746 10 0 ECAERN Cc1noc(CN2CCN([C@H]3CCN(C4CCOCC4)C3=O)CC2)n1 ZINC000328653075 320725122 /nfs/dbraw/zinc/72/51/22/320725122.db2.gz KIROXGOTQDBDHD-HNNXBMFYSA-N 0 0 349.435 0.276 10 0 ECAERN C[C@H](CC(=O)N1CC(OCC(=O)N(C)C)C1)N1CCCCC1=O ZINC000328766546 320731351 /nfs/dbraw/zinc/73/13/51/320731351.db2.gz PNSQERXDDPUIBL-GFCCVEGCSA-N 0 0 325.409 0.093 10 0 ECAERN CC(=O)N1C[C@H](CCC(=O)N2C[C@H](O)C[C@@H]2CO)c2ccccc21 ZINC000329853599 320791891 /nfs/dbraw/zinc/79/18/91/320791891.db2.gz VPSWHMCLZOSFAU-RRFJBIMHSA-N 0 0 332.400 0.871 10 0 ECAERN CO[C@H]1CN(C(=O)[C@H]2COCC(=O)N2Cc2ccccc2)C[C@@H]1OC ZINC000330182028 320809350 /nfs/dbraw/zinc/80/93/50/320809350.db2.gz GZDPKFKKZHGAIB-PMPSAXMXSA-N 0 0 348.399 0.286 10 0 ECAERN O=S(=O)(NCCN1CCOCC1)c1cnc2ccc(F)cc2c1 ZINC000330237822 320811900 /nfs/dbraw/zinc/81/19/00/320811900.db2.gz HSJSIROACPIZQH-UHFFFAOYSA-N 0 0 339.392 0.984 10 0 ECAERN O=C([C@H]1CCCCC(=O)N1)N1CCC(c2ccnn2CCO)CC1 ZINC000333357571 320916304 /nfs/dbraw/zinc/91/63/04/320916304.db2.gz WWYZOEUQKRVLJD-CQSZACIVSA-N 0 0 334.420 0.640 10 0 ECAERN Cc1ccn(-c2ccc(N3CCC[C@@](O)(Cn4ccnn4)C3)nn2)n1 ZINC000343574380 321135548 /nfs/dbraw/zinc/13/55/48/321135548.db2.gz DKAUUBVORPEUDX-INIZCTEOSA-N 0 0 340.391 0.594 10 0 ECAERN Cc1cc(N2CCC[C@H](NC(=O)N[C@@H](C)c3nc[nH]n3)C2=O)n(C)n1 ZINC000183154632 533896023 /nfs/dbraw/zinc/89/60/23/533896023.db2.gz ZIHHKYBTGIXASQ-QWRGUYRKSA-N 0 0 346.395 0.402 10 0 ECAERN CCn1cc([C@@H]2CN(C(=O)NCCNC(=O)C3CC3)CCO2)cn1 ZINC000190488577 517881450 /nfs/dbraw/zinc/88/14/50/517881450.db2.gz OARUFRBRYMPJAY-AWEZNQCLSA-N 0 0 335.408 0.512 10 0 ECAERN O=C(CCNS(=O)(=O)c1ccccc1)N[C@H]1CCCn2ncnc21 ZINC000175822973 534432538 /nfs/dbraw/zinc/43/25/38/534432538.db2.gz ADHAWNJXTWCYCV-ZDUSSCGKSA-N 0 0 349.416 0.598 10 0 ECAERN NC(=O)[C@H]1COCCN1C[C@H](O)c1ccccc1Br ZINC000179729819 534464890 /nfs/dbraw/zinc/46/48/90/534464890.db2.gz GGSJXYIAMXOAOY-NEPJUHHUSA-N 0 0 329.194 0.669 10 0 ECAERN NC(=O)c1ccc(CNC(=O)N2CCC[C@H](n3cncn3)C2)cc1 ZINC000173936456 534483456 /nfs/dbraw/zinc/48/34/56/534483456.db2.gz DTIKBEMGBYNPMG-AWEZNQCLSA-N 0 0 328.376 0.924 10 0 ECAERN Cc1onc(-c2ccccn2)c1C(=O)N1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000157303247 534598285 /nfs/dbraw/zinc/59/82/85/534598285.db2.gz WCNUWSGNGZLXPW-SKDRFNHKSA-N 0 0 330.344 0.760 10 0 ECAERN CC(=O)NC1CN(C(=O)CCc2c(C)nc3cc(=O)[nH]n3c2C)C1 ZINC000191510291 526706081 /nfs/dbraw/zinc/70/60/81/526706081.db2.gz GEFSRXYYSKKXLV-UHFFFAOYSA-N 0 0 331.376 0.331 10 0 ECAERN CC(=O)NC1CN(C(=O)[C@@H](c2ccccc2)N2CCC(O)CC2)C1 ZINC000191492620 526712774 /nfs/dbraw/zinc/71/27/74/526712774.db2.gz ZMYKKLMFXAFSST-QGZVFWFLSA-N 0 0 331.416 0.531 10 0 ECAERN CCN(C)C(=O)[C@H](C)NC(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000191404001 527775647 /nfs/dbraw/zinc/77/56/47/527775647.db2.gz DZALWYBOKXZCOH-NWDGAFQWSA-N 0 0 336.440 0.882 10 0 ECAERN CCNC(=O)c1cccc(CNC(=O)N[C@@H]2CCc3ncnn3C2)c1 ZINC000171868383 528267274 /nfs/dbraw/zinc/26/72/74/528267274.db2.gz VRPYPRYNNZKKQO-CQSZACIVSA-N 0 0 342.403 0.842 10 0 ECAERN CN(C[C@@H]1CN(C)CCO1)C(=O)CN1C(=O)c2ccccc2C1=O ZINC000074774689 545684358 /nfs/dbraw/zinc/68/43/58/545684358.db2.gz XICYVAWZCICGLY-LBPRGKRZSA-N 0 0 331.372 0.072 10 0 ECAERN CN(C[C@H]1CN(C)CCO1)C(=O)CCN1C(=O)c2ccccc2C1=O ZINC000074774694 545684511 /nfs/dbraw/zinc/68/45/11/545684511.db2.gz TYWCLEIZYSDCNH-CYBMUJFWSA-N 0 0 345.399 0.462 10 0 ECAERN Cc1nn(C)c(C)c1CCCNC(=O)NC[C@@H](C)N1CCOCC1 ZINC000091602927 545724565 /nfs/dbraw/zinc/72/45/65/545724565.db2.gz YDLZQMWEWHOPSC-CYBMUJFWSA-N 0 0 337.468 0.989 10 0 ECAERN C[C@@H]1CN(S(=O)(=O)CC[C@@H]2CCCO2)C[C@@H]1N1CCOCC1 ZINC000123447376 545758094 /nfs/dbraw/zinc/75/80/94/545758094.db2.gz PSNLURUSLPQKBV-ILXRZTDVSA-N 0 0 332.466 0.538 10 0 ECAERN COc1ccc(C[C@@H](C)C(=O)NC[C@H](O)CN2CCOCC2)cc1 ZINC000133100347 545794793 /nfs/dbraw/zinc/79/47/93/545794793.db2.gz HRYCRUOBJDLOSG-ZBFHGGJFSA-N 0 0 336.432 0.683 10 0 ECAERN CNC(=O)c1cccc(CCNC(=O)N2CCC[C@@H]2C(=O)NC)c1 ZINC000158916250 545846393 /nfs/dbraw/zinc/84/63/93/545846393.db2.gz LWZKKOBDCNJMTI-CQSZACIVSA-N 0 0 332.404 0.509 10 0 ECAERN CNS(=O)(=O)c1ccc(C)c(C(=O)N[C@H]2CCCC[C@H]2O)c1 ZINC000179448526 545882548 /nfs/dbraw/zinc/88/25/48/545882548.db2.gz NBOBETLWESVJOF-UONOGXRCSA-N 0 0 326.418 0.936 10 0 ECAERN CCC(CC)n1nc(C(=O)NC[C@@H](O)CN2CCOCC2)cc1C ZINC000180382279 545884726 /nfs/dbraw/zinc/88/47/26/545884726.db2.gz QANZXCXMZUTBNA-OAHLLOKOSA-N 0 0 338.452 0.976 10 0 ECAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CCO[C@@]2(CCc3ccccc32)C1 ZINC000189346050 545905547 /nfs/dbraw/zinc/90/55/47/545905547.db2.gz CNMJGKQHLHFSQR-SUMDDJOVSA-N 0 0 344.411 0.669 10 0 ECAERN O=C(NC[C@@H](O)CN1CCOCC1)Nc1cc(C(F)(F)F)ccn1 ZINC000192420057 545909930 /nfs/dbraw/zinc/90/99/30/545909930.db2.gz LWXHSPMXHRCHLF-LLVKDONJSA-N 0 0 348.325 0.915 10 0 ECAERN CCOCCN1CCN(S(=O)(=O)CC[C@@H]2CCCO2)C[C@H]1C ZINC000245995280 545937998 /nfs/dbraw/zinc/93/79/98/545937998.db2.gz HHNSOPVUODZKMO-CABCVRRESA-N 0 0 334.482 0.928 10 0 ECAERN Cn1cc(O[C@@H]2CN(Cc3nc4ccccc4n3C)C[C@H]2O)cn1 ZINC000625627259 547181043 /nfs/dbraw/zinc/18/10/43/547181043.db2.gz LVIPGSGFZCILPS-HZPDHXFCSA-N 0 0 327.388 0.931 10 0 ECAERN O=C(c1coc(CN2CC[C@H](O)C2)n1)N1NC(=O)CC12CCCCC2 ZINC000685943940 549729385 /nfs/dbraw/zinc/72/93/85/549729385.db2.gz OKJFUTUCVQMEDH-LBPRGKRZSA-N 0 0 348.403 0.821 10 0 ECAERN CCNS(=O)(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)OC ZINC000725262025 549730090 /nfs/dbraw/zinc/73/00/90/549730090.db2.gz RVAKCUWAQHTEKZ-NXEZZACHSA-N 0 0 336.410 0.334 10 0 ECAERN CN(C)c1ccnc(C(=O)N[C@@H]2CCC(=O)N[C@H]2c2nccn2C)c1 ZINC000888076886 586245716 /nfs/dbraw/zinc/24/57/16/586245716.db2.gz TXMYWKZBGRLFRL-IUODEOHRSA-N 0 0 342.403 0.631 10 0 ECAERN O=S(=O)(c1ccc(N2CC[C@H](CCO)C2)cc1)N1CCOCC1 ZINC000892674794 586281994 /nfs/dbraw/zinc/28/19/94/586281994.db2.gz YKLFUKJIUIGLBP-CQSZACIVSA-N 0 0 340.445 0.916 10 0 ECAERN COC(=O)[C@H](CO)NC(=O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C ZINC000208264904 586299413 /nfs/dbraw/zinc/29/94/13/586299413.db2.gz HQWMBMNQIQPYJT-MNOVXSKESA-N 0 0 332.397 0.576 10 0 ECAERN O=C(c1cn([C@@H]2COC[C@H]2O)nn1)N(Cc1ccccn1)C1CC1 ZINC000888093819 586348373 /nfs/dbraw/zinc/34/83/73/586348373.db2.gz VOWUIZJXWJJDBJ-HUUCEWRRSA-N 0 0 329.360 0.410 10 0 ECAERN Cn1nc(C(=O)N[C@H]2CCC(=O)N[C@@H]2[C@@H]2CCCO2)cc1C1CC1 ZINC000888095068 586349671 /nfs/dbraw/zinc/34/96/71/586349671.db2.gz HRTRRXRIBLBWFL-PJODQICGSA-N 0 0 332.404 0.854 10 0 ECAERN C[N@@H+]1CC[C@@H](CNC(=O)c2cccn3nnnc23)[C@@H]1c1cccnc1 ZINC000897971902 586384157 /nfs/dbraw/zinc/38/41/57/586384157.db2.gz FCDKPSJDFQICDP-ZFWWWQNUSA-N 0 0 337.387 0.942 10 0 ECAERN C[C@@H]1OCC[C@H]1NC(=O)CSc1ccc(S(N)(=O)=O)cc1 ZINC000901264252 586705437 /nfs/dbraw/zinc/70/54/37/586705437.db2.gz YXBTUJHIOOLQAP-JOYOIKCWSA-N 0 0 330.431 0.720 10 0 ECAERN CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)/C=C/c2ccccc2)C1 ZINC000116904453 589708788 /nfs/dbraw/zinc/70/87/88/589708788.db2.gz WMDASOHMFVIYFC-FROQITRMSA-N 0 0 330.431 0.611 10 0 ECAERN Cn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2cnc(C3CC3)nc2)cn1 ZINC000862922259 589973937 /nfs/dbraw/zinc/97/39/37/589973937.db2.gz RFNRDXPSEYXRBK-UONOGXRCSA-N 0 0 329.360 0.664 10 0 ECAERN Cc1nccn1CC(=O)N1CC[C@H](c2cc(=O)[nH]c(N(C)C)n2)C1 ZINC000864835839 590108943 /nfs/dbraw/zinc/10/89/43/590108943.db2.gz OXIJGROAOCIAPI-LBPRGKRZSA-N 0 0 330.392 0.769 10 0 ECAERN Cc1nn(C)cc1CC(=O)N1CC[C@H](c2cc(=O)[nH]c(N(C)C)n2)C1 ZINC000864835658 590109141 /nfs/dbraw/zinc/10/91/41/590109141.db2.gz MLYYYLQYMVGDBF-LBPRGKRZSA-N 0 0 344.419 0.849 10 0 ECAERN CC(C)c1nc2c(n1C)CCN(Cn1nnc3c(cnn3C)c1=O)C2 ZINC000132663041 590655714 /nfs/dbraw/zinc/65/57/14/590655714.db2.gz MOBTYSXATKPUEH-UHFFFAOYSA-N 0 0 342.407 0.398 10 0 ECAERN Cn1cnnc1C[C@@]1(O)CCCN(c2cncc(-n3cccn3)n2)C1 ZINC000886065819 590789720 /nfs/dbraw/zinc/78/97/20/590789720.db2.gz XPVPCYCXBCGOBM-INIZCTEOSA-N 0 0 340.391 0.365 10 0 ECAERN COc1ccc2nc(CN3C[C@@H](OC)[C@H](c4cn(C)nn4)C3)[nH]c2n1 ZINC000886072100 590789882 /nfs/dbraw/zinc/78/98/82/590789882.db2.gz QHCPGFNYTWVCRU-GXFFZTMASA-N 0 0 343.391 0.709 10 0 ECAERN CN(C)c1ncc(CNC(=O)[C@@H]2CCCO[C@H]2c2cn[nH]c2)n1C ZINC000886075772 590790715 /nfs/dbraw/zinc/79/07/15/590790715.db2.gz ZQASYZAYBKAVIC-KGLIPLIRSA-N 0 0 332.408 0.993 10 0 ECAERN CCn1ccc(CNC(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2nccn2C)n1 ZINC000886077928 590791559 /nfs/dbraw/zinc/79/15/59/590791559.db2.gz REHYCTJHVQOPBX-ZFWWWQNUSA-N 0 0 344.419 0.862 10 0 ECAERN CO[C@@H]1CN(C(=O)c2cnn3ccccc23)C[C@H]1c1cn(C)nn1 ZINC000886078365 590791704 /nfs/dbraw/zinc/79/17/04/590791704.db2.gz XARKWCMHTXNJSO-SWLSCSKDSA-N 0 0 326.360 0.717 10 0 ECAERN NC(=O)[C@@]1(N2CCN(c3ncc(Cl)cc3F)CC2)CCOC1 ZINC000886081924 590792904 /nfs/dbraw/zinc/79/29/04/590792904.db2.gz HGRNBXGVDPKGKF-CQSZACIVSA-N 0 0 328.775 0.641 10 0 ECAERN Cn1ccnc1[C@@H]1[C@@H](C(=O)NCC(F)(F)CO)CCC(=O)N1C ZINC000886088367 590793838 /nfs/dbraw/zinc/79/38/38/590793838.db2.gz PYZVZVPUCNCVMU-ONGXEEELSA-N 0 0 330.335 0.073 10 0 ECAERN Cn1cnnc1C[C@]1(O)CCCN(C(=O)COCc2ccccc2)C1 ZINC000886095182 590794254 /nfs/dbraw/zinc/79/42/54/590794254.db2.gz NJRNDDKECQXHIK-GOSISDBHSA-N 0 0 344.415 0.928 10 0 ECAERN CS(=O)(=O)N1CC(CNS(=O)(=O)/C=C/c2ccccc2)C1 ZINC000188735170 611370218 /nfs/dbraw/zinc/37/02/18/611370218.db2.gz OLELKYKICZHWBI-BQYQJAHWSA-N 0 0 330.431 0.468 10 0 ECAERN C[C@H](NC(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1)c1nnnn1C1CC1 ZINC000188951791 611444460 /nfs/dbraw/zinc/44/44/60/611444460.db2.gz PMVDWCTXAHODFH-DYEKYZERSA-N 0 0 349.439 0.431 10 0 ECAERN CCc1noc([C@H](C)N2CCN(CN3C[C@H](OC)CC3=O)CC2)n1 ZINC000189131006 611498770 /nfs/dbraw/zinc/49/87/70/611498770.db2.gz ZUGVHXZRLPDKOA-QWHCGFSZSA-N 0 0 337.424 0.515 10 0 ECAERN O=C([C@H]1CCCO1)N1CCC(c2cc3n(n2)CCCNC3=O)CC1 ZINC000065225711 608795264 /nfs/dbraw/zinc/79/52/64/608795264.db2.gz QRSMVPPCOSTECX-OAHLLOKOSA-N 0 0 332.404 0.902 10 0 ECAERN O=C(c1cnc2c(O)cccn2c1=O)N1CCO[C@@H](C(F)(F)F)C1 ZINC000071662477 608957152 /nfs/dbraw/zinc/95/71/52/608957152.db2.gz ZIGUDNACBDWDKO-SNVBAGLBSA-N 0 0 343.261 0.803 10 0 ECAERN Cc1noc([C@@H](C)N2CCN(CCS(=O)(=O)C(C)C)CC2)n1 ZINC000178223082 609000535 /nfs/dbraw/zinc/00/05/35/609000535.db2.gz UVVNZNCXQDQDLH-GFCCVEGCSA-N 0 0 330.454 0.880 10 0 ECAERN C[C@H]1CC[C@H](C(=O)NCC2CCN(S(=O)(=O)C(F)F)CC2)O1 ZINC000178270909 609034755 /nfs/dbraw/zinc/03/47/55/609034755.db2.gz VEACKNZDULLCFO-GXSJLCMTSA-N 0 0 340.392 0.935 10 0 ECAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)C2CN([C@H]3CCOC3)C2)C1 ZINC000907729026 609617474 /nfs/dbraw/zinc/61/74/74/609617474.db2.gz GMVUOCYRBYMSPS-MJBXVCDLSA-N 0 0 336.392 0.387 10 0 ECAERN C[C@@H]1NC(=O)CC[C@H]1NC(=O)c1cccn1CCN1CCOCC1 ZINC000908004376 609635446 /nfs/dbraw/zinc/63/54/46/609635446.db2.gz RWNHPMZJHFHNDC-UONOGXRCSA-N 0 0 334.420 0.217 10 0 ECAERN CN(CCO)C(=O)CCn1c2ccccc2nc(N2CCCC2)c1=O ZINC000222888646 609705592 /nfs/dbraw/zinc/70/55/92/609705592.db2.gz XDHJULQIECBAHR-UHFFFAOYSA-N 0 0 344.415 0.838 10 0 ECAERN Cc1nnc([C@@H]2CN(C(=O)CCc3c(C)n[nH]c3C)C[C@H]2C(N)=O)[nH]1 ZINC000169791307 609747356 /nfs/dbraw/zinc/74/73/56/609747356.db2.gz JYUOEDQOYAADPC-CHWSQXEVSA-N 0 0 345.407 0.113 10 0 ECAERN O=C(c1cnn(-c2ccccc2)n1)N1CC[C@H](N2CCOCC2)C1 ZINC000172741712 609775325 /nfs/dbraw/zinc/77/53/25/609775325.db2.gz FTBDUBKQSCMHPX-HNNXBMFYSA-N 0 0 327.388 0.814 10 0 ECAERN Cn1cc(N2CCN(CN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)CC2)cn1 ZINC000173901662 609784477 /nfs/dbraw/zinc/78/44/77/609784477.db2.gz AQKJWIBSEXRDOR-GJZGRUSLSA-N 0 0 329.404 0.451 10 0 ECAERN NC(=O)[C@H]1COCCN1Cc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000092228960 609802403 /nfs/dbraw/zinc/80/24/03/609802403.db2.gz DTAZXNDOHXQBOY-OAHLLOKOSA-N 0 0 328.368 0.968 10 0 ECAERN NC(=O)[C@@H]1COCCN1Cc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000092228961 609802580 /nfs/dbraw/zinc/80/25/80/609802580.db2.gz DTAZXNDOHXQBOY-HNNXBMFYSA-N 0 0 328.368 0.968 10 0 ECAERN CC[C@@H](O)[C@@H]1CCCCN1C(=O)c1cn([C@@H]2COC[C@H]2OC)nn1 ZINC000912119963 609933797 /nfs/dbraw/zinc/93/37/97/609933797.db2.gz NDQCHEOFNPCKRM-GBJTYRQASA-N 0 0 338.408 0.630 10 0 ECAERN O=C([C@@H]1CC(c2c(F)cccc2F)=NO1)N1CCOC[C@@H]1CO ZINC000912424278 609957983 /nfs/dbraw/zinc/95/79/83/609957983.db2.gz CXUFKXVENIJLGB-ZANVPECISA-N 0 0 326.299 0.678 10 0 ECAERN Cc1nn(C)c(C)c1[C@@H]1OCC[C@H]1NC(=O)CN1CCCCC1=O ZINC000913092238 610036108 /nfs/dbraw/zinc/03/61/08/610036108.db2.gz KHYVSJFEZIYKDP-CXAGYDPISA-N 0 0 334.420 0.996 10 0 ECAERN Cc1nnc(CCC(=O)N[C@H]2C[N@@H+](CCC(=O)[O-])C[C@@H]2C(C)C)[nH]1 ZINC000091966495 612533174 /nfs/dbraw/zinc/53/31/74/612533174.db2.gz QLCZTTDFJMCQOL-OLZOCXBDSA-N 0 0 337.424 0.593 10 0 ECAERN CC[C@@]1(C(C)C)NC(=O)N(CN2CC[C@@H](N3CCOCC3)C2)C1=O ZINC000246846649 612824519 /nfs/dbraw/zinc/82/45/19/612824519.db2.gz DUQCKNNEQZJGOQ-PBHICJAKSA-N 0 0 338.452 0.707 10 0 ECAERN CCC(CC)(CNC(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O)C(=O)[O-] ZINC000263066215 282099336 /nfs/dbraw/zinc/09/93/36/282099336.db2.gz OEFBSEJDAKFAMG-GFCCVEGCSA-N 0 0 342.440 0.516 10 0 ECAERN C[C@H](NC(=O)N1CC(=O)N[C@@H]2CCCC[C@@H]21)C(=O)N1CCCCC1 ZINC000152660673 299077137 /nfs/dbraw/zinc/07/71/37/299077137.db2.gz JIZFVERCYYMSNT-MJBXVCDLSA-N 0 0 336.436 0.840 10 0 ECAERN Cc1nn(C)c(C)c1CN1CCN(C(=O)[C@H]2CSC(=O)N2)CC1 ZINC000174875972 231331423 /nfs/dbraw/zinc/33/14/23/231331423.db2.gz NAWGLMAFIZXBCK-CYBMUJFWSA-N 0 0 337.449 0.506 10 0 ECAERN CCc1cc(N2CCC(NC(=O)[C@H]3C[C@@H]3C(=O)OC)CC2)ncn1 ZINC000177191216 529530637 /nfs/dbraw/zinc/53/06/37/529530637.db2.gz CVVFQYWQWCZRHD-KBPBESRZSA-N 0 0 332.404 0.933 10 0 ECAERN O=C(CNC(=O)c1cc(F)cc(F)c1)N[C@H]1CCCn2ncnc21 ZINC000175823326 231518141 /nfs/dbraw/zinc/51/81/41/231518141.db2.gz FOYDFBQZWAJDEV-LBPRGKRZSA-N 0 0 335.314 0.937 10 0 ECAERN CCc1nnc([C@@H]2CN(C(=O)CNC(=O)c3ccccc3)CCO2)[nH]1 ZINC000173611611 529698959 /nfs/dbraw/zinc/69/89/59/529698959.db2.gz ZOWKKVOIVJMEGL-ZDUSSCGKSA-N 0 0 343.387 0.697 10 0 ECAERN CC(C)(C)N(CCOCCOCCOCCOCC[NH3+])C(=O)[O-] ZINC000098090326 219083282 /nfs/dbraw/zinc/08/32/82/219083282.db2.gz MLHXWEZQMZXYQQ-UHFFFAOYSA-N 0 0 336.429 0.790 10 0 ECAERN O=C(Cn1nc2ccccn2c1=O)N1CCC(Cn2cccn2)CC1 ZINC000126004821 222639687 /nfs/dbraw/zinc/63/96/87/222639687.db2.gz DVTQCGDOAVFXGW-UHFFFAOYSA-N 0 0 340.387 0.631 10 0 ECAERN CN1Cc2ccc(NC(=O)C(=O)N3CC(NC(=O)C4CC4)C3)cc2C1 ZINC000187978368 529830906 /nfs/dbraw/zinc/83/09/06/529830906.db2.gz GZAKKTBYKHIDKO-UHFFFAOYSA-N 0 0 342.399 0.308 10 0 ECAERN COC[C@@H](C)S(=O)(=O)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000178696816 232385382 /nfs/dbraw/zinc/38/53/82/232385382.db2.gz GZRNBLVCOHPVAB-GDBMZVCRSA-N 0 0 342.461 0.702 10 0 ECAERN C[C@H](CNC(=O)CNC(=O)CCC1CCCC1)N1CCOCC1 ZINC000102329986 219195119 /nfs/dbraw/zinc/19/51/19/219195119.db2.gz ZGLPEHNCEHCAOA-CQSZACIVSA-N 0 0 325.453 0.910 10 0 ECAERN COC(=O)[C@](C)(CO)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C ZINC000003646452 210069768 /nfs/dbraw/zinc/06/97/68/210069768.db2.gz LIGOGECYVNHKLT-BONVTDFDSA-N 0 0 332.397 0.576 10 0 ECAERN COC(=O)CC1(CS(=O)(=O)N2CC[C@@H](c3cnn(C)c3)C2)CC1 ZINC000176718032 290966749 /nfs/dbraw/zinc/96/67/49/290966749.db2.gz HMTPYKJHBFBGHK-GFCCVEGCSA-N 0 0 341.433 0.883 10 0 ECAERN Cc1cnn([C@@H]2CCCN(C(=O)C(=O)Nc3ccc(=O)n(C)c3)C2)c1 ZINC000183112287 234902835 /nfs/dbraw/zinc/90/28/35/234902835.db2.gz WCMRSCQGISVXMM-CQSZACIVSA-N 0 0 343.387 0.692 10 0 ECAERN Cc1cc(N2CCC[C@@H](NC(=O)NCC(F)(F)CO)C2=O)n(C)n1 ZINC000185014671 235559346 /nfs/dbraw/zinc/55/93/46/235559346.db2.gz PJETXJRBMMIWEZ-SNVBAGLBSA-N 0 0 345.350 0.151 10 0 ECAERN COc1ccc(CNC(=O)CN2CCO[C@H](Cn3cccn3)C2)cc1 ZINC000105888982 219579840 /nfs/dbraw/zinc/57/98/40/219579840.db2.gz JFHWHAHUSUGLRV-KRWDZBQOSA-N 0 0 344.415 0.909 10 0 ECAERN CNC(=O)CN(C)S(=O)(=O)c1cc(Br)ccc1N ZINC000037929474 213173377 /nfs/dbraw/zinc/17/33/77/213173377.db2.gz VHWLLQPDOUAAJY-UHFFFAOYSA-N 0 0 336.211 0.398 10 0 ECAERN COc1cc(C=O)cc(Br)c1OCC(=O)NC(N)=O ZINC000036815157 213120287 /nfs/dbraw/zinc/12/02/87/213120287.db2.gz BDHMLNKARHANRO-UHFFFAOYSA-N 0 0 331.122 0.844 10 0 ECAERN O=C(Cn1cc(Br)ccc1=O)N1CCCC[C@H]1CO ZINC000035238274 213015173 /nfs/dbraw/zinc/01/51/73/213015173.db2.gz QQNWOFHXDBVJSP-NSHDSACASA-N 0 0 329.194 0.984 10 0 ECAERN CCCNC(=O)CN(C)C(=O)CN1CCC[C@H](NC(=O)CCC)C1 ZINC000101564470 283364710 /nfs/dbraw/zinc/36/47/10/283364710.db2.gz DRMYGOOCIDODOS-AWEZNQCLSA-N 0 0 340.468 0.352 10 0 ECAERN Nc1nonc1C(=O)N1CCN(C(=O)COc2ccccc2)CC1 ZINC000033317976 212923727 /nfs/dbraw/zinc/92/37/27/212923727.db2.gz BZODZRPQHRTPGG-UHFFFAOYSA-N 0 0 331.332 0.015 10 0 ECAERN C[C@@H]1OCCC[C@H]1C(=O)NCCNS(=O)(=O)c1cccs1 ZINC000189642603 237098300 /nfs/dbraw/zinc/09/83/00/237098300.db2.gz QPLQWIYXBVPNJF-WDEREUQCSA-N 0 0 332.447 0.958 10 0 ECAERN CCOC(=O)NC(=O)c1cn(CCc2ccncc2)c(=O)[nH]c1=O ZINC000000169564 209461757 /nfs/dbraw/zinc/46/17/57/209461757.db2.gz GYDAJGNZEHTBSQ-UHFFFAOYSA-N 0 0 332.316 0.061 10 0 ECAERN CCn1cc([C@@H]2CN(C(=O)C(=O)Nc3cccnc3)CCO2)cn1 ZINC000190529303 238563442 /nfs/dbraw/zinc/56/34/42/238563442.db2.gz YRZWQMOSBHDLIO-AWEZNQCLSA-N 0 0 329.360 0.837 10 0 ECAERN Nc1cc(Br)ccc1C(=O)N1CCN2C(=O)NC[C@@H]2C1 ZINC000094046884 283655700 /nfs/dbraw/zinc/65/57/00/283655700.db2.gz LUBDSNONIWZLLI-SECBINFHSA-N 0 0 339.193 0.881 10 0 ECAERN NC(=O)[C@@H]1CCCN1S(=O)(=O)Cc1cccc(C(N)=S)c1 ZINC000038005246 213187331 /nfs/dbraw/zinc/18/73/31/213187331.db2.gz BIPKUBDHTWSTNO-NSHDSACASA-N 0 0 327.431 0.100 10 0 ECAERN CCc1onc(C)c1NC(=O)C(=O)N1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000132143679 223305576 /nfs/dbraw/zinc/30/55/76/223305576.db2.gz SLPAIQHENODDGU-WDEREUQCSA-N 0 0 338.408 0.397 10 0 ECAERN CO[C@@](C)(C(=O)NC[C@@H](O)CN1CCOCC1)c1ccccc1F ZINC000191922156 239384534 /nfs/dbraw/zinc/38/45/34/239384534.db2.gz VWUMADGOZGVMDP-CXAGYDPISA-N 0 0 340.395 0.497 10 0 ECAERN COc1ccc(S(=O)(=O)c2ccc(S(N)(=O)=O)s2)nn1 ZINC000211828365 241085686 /nfs/dbraw/zinc/08/56/86/241085686.db2.gz ILPSBTREAYYXNF-UHFFFAOYSA-N 0 0 335.388 0.027 10 0 ECAERN Nc1nnc(CCCNC(=O)CS(=O)(=O)c2ccccc2)s1 ZINC000020202251 212110587 /nfs/dbraw/zinc/11/05/87/212110587.db2.gz KSWIFQYGROKIHT-UHFFFAOYSA-N 0 0 340.430 0.643 10 0 ECAERN O=C(NC[C@@H]1CCCC[C@@H]1O)C(=O)Nc1ccc(-n2cccn2)nc1 ZINC000077940054 217003725 /nfs/dbraw/zinc/00/37/25/217003725.db2.gz KBNGSANZKDBWEX-JSGCOSHPSA-N 0 0 343.387 0.873 10 0 ECAERN C[N@@H+](CC(=O)[O-])C[C@@H]1CN(C(=O)Cc2ccc3c(c2)CCO3)CCO1 ZINC000262904384 245243219 /nfs/dbraw/zinc/24/32/19/245243219.db2.gz IRJDVEDUACJIGC-OAHLLOKOSA-N 0 0 348.399 0.408 10 0 ECAERN CC(=O)C(C(=O)c1ccccc1)(N1CCOCC1)N1CCOCC1 ZINC000019325908 212017075 /nfs/dbraw/zinc/01/70/75/212017075.db2.gz QXXXBDJZFQTRDG-UHFFFAOYSA-N 0 0 332.400 0.819 10 0 ECAERN Cn1c(=O)oc2cc(NC(=O)C(=O)N[C@@H]3CCCC[C@H]3CO)ccc21 ZINC000078993061 217169057 /nfs/dbraw/zinc/16/90/57/217169057.db2.gz DDFPPQUDKDARJN-CMPLNLGQSA-N 0 0 347.371 0.737 10 0 ECAERN Cc1cc(C)n(C[C@H]2CN(C(=O)C3=NN(C)C(=O)CC3)CCO2)n1 ZINC000110906631 220078756 /nfs/dbraw/zinc/07/87/56/220078756.db2.gz LBLPOIKLQLBPOW-CYBMUJFWSA-N 0 0 333.392 0.336 10 0 ECAERN O=C(CNC(=O)c1ccccc1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111649735 220175193 /nfs/dbraw/zinc/17/51/93/220175193.db2.gz XLNYXUFHRAQHRF-OAHLLOKOSA-N 0 0 328.372 0.541 10 0 ECAERN O=C(NCCN1CCOCC1)N1CCO[C@@H](c2nccs2)C1 ZINC000111785750 220189517 /nfs/dbraw/zinc/18/95/17/220189517.db2.gz FUZILXYYFUWTMV-GFCCVEGCSA-N 0 0 326.422 0.558 10 0 ECAERN NC(=O)c1cccc(CNC(=O)N2CCO[C@@H](Cn3cccn3)C2)c1 ZINC000111819981 220198924 /nfs/dbraw/zinc/19/89/24/220198924.db2.gz GIHRRZZJSYFRGT-OAHLLOKOSA-N 0 0 343.387 0.593 10 0 ECAERN C[C@@H](O)C1CCN(C(=O)C(=O)Nc2ccc(-n3nccn3)cc2)CC1 ZINC000111920353 220223877 /nfs/dbraw/zinc/22/38/77/220223877.db2.gz STMSRRPNUVVNRY-GFCCVEGCSA-N 0 0 343.387 0.825 10 0 ECAERN CCc1noc([C@@H](C)N2CCN(C(=O)NCCNC(C)=O)CC2)n1 ZINC000112131213 220249179 /nfs/dbraw/zinc/24/91/79/220249179.db2.gz NJXORSAOQJHBBP-LLVKDONJSA-N 0 0 338.412 0.156 10 0 ECAERN NC(=O)[C@H]1COCCN1C(=O)COc1ccc(Br)cc1 ZINC000091784891 218065896 /nfs/dbraw/zinc/06/58/96/218065896.db2.gz FDEGYOSFSNOYLQ-LLVKDONJSA-N 0 0 343.177 0.541 10 0 ECAERN C[C@H](NC(=O)CN1CCOC[C@@H]1C(N)=O)c1ccc(Cl)cc1 ZINC000092229851 218128028 /nfs/dbraw/zinc/12/80/28/218128028.db2.gz BSQYLWRYYFOSHH-GXFFZTMASA-N 0 0 325.796 0.703 10 0 ECAERN CS(=O)(=O)NCc1cncc2c1CCN(C(=O)N1CCCC1)C2 ZINC000096067418 218564899 /nfs/dbraw/zinc/56/48/99/218564899.db2.gz NTCSBMSPVPSOEF-UHFFFAOYSA-N 0 0 338.433 0.705 10 0 ECAERN COc1ccccc1[C@H](C)CC(=O)NC[C@@H](O)CN1CCOCC1 ZINC000132961484 533001240 /nfs/dbraw/zinc/00/12/40/533001240.db2.gz FEWXWUZLWYOIPK-HUUCEWRRSA-N 0 0 336.432 0.998 10 0 ECAERN COc1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CN(C)CCO2)c1 ZINC000112361943 220311823 /nfs/dbraw/zinc/31/18/23/220311823.db2.gz AJHIBUINQFQOMU-LLVKDONJSA-N 0 0 334.825 0.958 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)NCCCN1CCOCC1)CC2 ZINC000114908820 220776225 /nfs/dbraw/zinc/77/62/25/220776225.db2.gz RWFYCHVBLARNMA-CYBMUJFWSA-N 0 0 336.440 0.177 10 0 ECAERN COCCS(=O)(=O)N1CCCN(Cc2csc(C)n2)CC1 ZINC000116351225 220955431 /nfs/dbraw/zinc/95/54/31/220955431.db2.gz CMEDLQSZVIMCHX-UHFFFAOYSA-N 0 0 333.479 0.935 10 0 ECAERN Cn1cc(CNC(=O)N2CCN(C[C@@H](O)c3ccccc3)CC2)cn1 ZINC000117038229 221027032 /nfs/dbraw/zinc/02/70/32/221027032.db2.gz DBXVSQQAQHURHT-QGZVFWFLSA-N 0 0 343.431 0.981 10 0 ECAERN COCCN1CCN(C(=O)CNC(=O)c2cccs2)C[C@H]1C ZINC000117290229 221045606 /nfs/dbraw/zinc/04/56/06/221045606.db2.gz IBAKSIYESTXOFT-GFCCVEGCSA-N 0 0 325.434 0.657 10 0 ECAERN Cc1cnn(CCNS(=O)(=O)c2cccc(C(=O)N(C)C)c2)c1 ZINC000117927892 221101092 /nfs/dbraw/zinc/10/10/92/221101092.db2.gz LLLOLUTWPVIVJG-UHFFFAOYSA-N 0 0 336.417 0.872 10 0 ECAERN Cc1cnn(CCNC(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)c1 ZINC000118080065 221112865 /nfs/dbraw/zinc/11/28/65/221112865.db2.gz BWCFWTQYKYZZJT-HNNXBMFYSA-N 0 0 349.435 0.472 10 0 ECAERN CC(C)N(C)c1cccc(NC(=O)C(=O)NC[C@H]2CN(C)CCO2)c1 ZINC000118115771 221121006 /nfs/dbraw/zinc/12/10/06/221121006.db2.gz RUSLBICWAKNDOD-INIZCTEOSA-N 0 0 348.447 0.917 10 0 ECAERN CCCS(=O)(=O)N1CC[C@@H]2[C@H]1CCC(=O)N2c1cnn(C)c1 ZINC000248106207 257664788 /nfs/dbraw/zinc/66/47/88/257664788.db2.gz FZSDTDDDBNVICM-CHWSQXEVSA-N 0 0 326.422 0.730 10 0 ECAERN Cc1ccc(N2CCO[C@@H]3CN(C(=O)c4ccnnc4)C[C@@H]32)nn1 ZINC000247951073 257672666 /nfs/dbraw/zinc/67/26/66/257672666.db2.gz YJYNRKHWABLNSR-UONOGXRCSA-N 0 0 326.360 0.305 10 0 ECAERN COCCC(=O)N1CC[C@H](N2CCOCC2)[C@H]1Cc1ccncc1 ZINC000247886219 257675690 /nfs/dbraw/zinc/67/56/90/257675690.db2.gz RTFLJDTWYYFZMR-DLBZAZTESA-N 0 0 333.432 0.962 10 0 ECAERN CS(=O)(=O)N[C@H]1CCO[C@@]2(CCN(C(=O)c3ccccc3)C2)C1 ZINC000247507370 257682134 /nfs/dbraw/zinc/68/21/34/257682134.db2.gz HHEDGOINIOURKI-HOCLYGCPSA-N 0 0 338.429 1.000 10 0 ECAERN O=C(Nc1ccn([C@@H]2C[C@@H](O)[C@@H](CO)O2)c(=O)n1)c1ccccc1 ZINC000105465033 257685524 /nfs/dbraw/zinc/68/55/24/257685524.db2.gz MPSJHJFNKMUKCN-BZPMIXESSA-N 0 0 331.328 0.136 10 0 ECAERN CO[C@H]1C[C@H](c2nc(C)no2)N(CCCS(=O)(=O)N(C)C)C1 ZINC000328617829 258036970 /nfs/dbraw/zinc/03/69/70/258036970.db2.gz DCJJWEWFHUDMKG-NWDGAFQWSA-N 0 0 332.426 0.421 10 0 ECAERN COc1ccc2c(CC(=O)NC[C@H](O)CN3CCOCC3)coc2c1 ZINC000154135775 533238047 /nfs/dbraw/zinc/23/80/47/533238047.db2.gz NLWRUVUQUUAFAR-AWEZNQCLSA-N 0 0 348.399 0.793 10 0 ECAERN CO[C@](C)(C(=O)NC[C@@H](O)CN1CCOCC1)c1ccccc1F ZINC000191922167 533323391 /nfs/dbraw/zinc/32/33/91/533323391.db2.gz VWUMADGOZGVMDP-DYVFJYSZSA-N 0 0 340.395 0.497 10 0 ECAERN C[C@H](NC(=O)c1ccccc1N1CCC(=O)NC1=O)c1nc[nH]n1 ZINC000055308622 132194780 /nfs/dbraw/zinc/19/47/80/132194780.db2.gz VNZYGXDSRSNNBL-VIFPVBQESA-N 0 0 328.332 0.742 10 0 ECAERN Cc1c(N2CCN(C(=O)CC3CCCC3)CC2)c(=O)n(C)c(=O)n1C ZINC000021885835 135725780 /nfs/dbraw/zinc/72/57/80/135725780.db2.gz FLJGXOVKHASSES-UHFFFAOYSA-N 0 0 348.447 0.621 10 0 ECAERN C[C@@H](Oc1ccc(F)c(F)c1)C(=O)NC[C@@H](O)CN1CCOCC1 ZINC000128141989 296658923 /nfs/dbraw/zinc/65/89/23/296658923.db2.gz PXPGMSRGZJZSQM-VXGBXAGGSA-N 0 0 344.358 0.541 10 0 ECAERN CCS(=O)(=O)N[C@H](CCSC)C(=O)N(C)CC1CC(O)C1 ZINC000091490130 164643009 /nfs/dbraw/zinc/64/30/09/164643009.db2.gz XMKDAVGFSISUTO-HTAVTVPLSA-N 0 0 338.495 0.277 10 0 ECAERN CCCS(=O)(=O)CC(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000150712220 164722392 /nfs/dbraw/zinc/72/23/92/164722392.db2.gz HVRUUIIMPVBFDN-LLVKDONJSA-N 0 0 328.438 0.657 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)Nc1cn(C)c(=O)cc1C)CC2 ZINC000162189892 164809403 /nfs/dbraw/zinc/80/94/03/164809403.db2.gz WAUJYKTZDVOTRR-NSHDSACASA-N 0 0 330.392 0.984 10 0 ECAERN CCC(CC)N1C[C@H](C(=O)N2CC[C@H](N3CCOCC3)C2)CC1=O ZINC000172750544 164847116 /nfs/dbraw/zinc/84/71/16/164847116.db2.gz QUDBRZOOBKRNJH-ZBFHGGJFSA-N 0 0 337.464 0.957 10 0 ECAERN Cc1nnc([C@@H]2CN(C(=O)c3cn(CCC(C)C)nn3)CCO2)[nH]1 ZINC000173517978 164857607 /nfs/dbraw/zinc/85/76/07/164857607.db2.gz NUTSHXDMXSAIIY-ZDUSSCGKSA-N 0 0 333.396 0.964 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)N1CC(NC(=O)C3CCC3)C1)CC2 ZINC000188855065 165003009 /nfs/dbraw/zinc/00/30/09/165003009.db2.gz MHSJIWJTIMLQBZ-LBPRGKRZSA-N 0 0 346.435 0.465 10 0 ECAERN C[C@@H]1C(=O)NCCCN1C(=O)c1ccc(=O)n(Cc2ccccc2)n1 ZINC000188913476 165003351 /nfs/dbraw/zinc/00/33/51/165003351.db2.gz RNNKKVIGTMPESM-CYBMUJFWSA-N 0 0 340.383 0.642 10 0 ECAERN C[C@@H]1C(=O)NCCCN1C(=O)C(=O)c1cnn(-c2ccccc2)c1 ZINC000188948236 165004290 /nfs/dbraw/zinc/00/42/90/165004290.db2.gz UBPFSOMPSFQAOS-GFCCVEGCSA-N 0 0 326.356 0.792 10 0 ECAERN Cc1cccc(N2CCN(C(=O)CN3CCCNC(=O)[C@H]3C)CC2)c1 ZINC000189298907 165008162 /nfs/dbraw/zinc/00/81/62/165008162.db2.gz CKTHDFMNSDDYMW-MRXNPFEDSA-N 0 0 344.459 0.854 10 0 ECAERN O=C1CCCN1C[C@@H](O)CN1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000189673996 165012897 /nfs/dbraw/zinc/01/28/97/165012897.db2.gz ZOOBZZKYXNRUJA-AWEZNQCLSA-N 0 0 333.436 0.392 10 0 ECAERN COC[C@H](C)n1ccc(NC(=O)C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)n1 ZINC000190095887 165017963 /nfs/dbraw/zinc/01/79/63/165017963.db2.gz AHIRXIUIYNQTSY-HZSPNIEDSA-N 0 0 349.435 0.724 10 0 ECAERN CCN1CCCN(C(=O)N[C@H](C)c2nnc3n2CCCC3)CC1=O ZINC000189956651 165018277 /nfs/dbraw/zinc/01/82/77/165018277.db2.gz AXMCAVBKVOZQQX-GFCCVEGCSA-N 0 0 334.424 0.939 10 0 ECAERN CCc1nnc([C@@H]2CN(C(=O)NCCOCC(F)F)CCO2)[nH]1 ZINC000190272116 165019538 /nfs/dbraw/zinc/01/95/38/165019538.db2.gz QELHUOMOCXNFOO-VIFPVBQESA-N 0 0 333.339 0.732 10 0 ECAERN CC(=O)NC1CN(C(=O)[C@H]2CC(=O)N(c3ccc(F)cc3F)C2)C1 ZINC000190522528 165022713 /nfs/dbraw/zinc/02/27/13/165022713.db2.gz IYFUGVWLXUFNNK-JTQLQIEISA-N 0 0 337.326 0.665 10 0 ECAERN C[C@H]1C(=O)NCCCN1C(=O)C(=O)Nc1cc(F)c(F)cc1F ZINC000190674096 165023916 /nfs/dbraw/zinc/02/39/16/165023916.db2.gz CCJLYBSMNGCIMM-ZETCQYMHSA-N 0 0 329.278 0.779 10 0 ECAERN C[C@@H]1C(=O)NCCCN1C(=O)C(=O)Nc1ccccc1-n1cccn1 ZINC000190679847 165024513 /nfs/dbraw/zinc/02/45/13/165024513.db2.gz HVHLQLQODDTZTL-GFCCVEGCSA-N 0 0 341.371 0.548 10 0 ECAERN CCn1cc([C@@H]2CN(C[C@H](O)COC3CCOCC3)CCO2)cn1 ZINC000190803537 165025999 /nfs/dbraw/zinc/02/59/99/165025999.db2.gz RRDLYMDIKIBZOV-RDJZCZTQSA-N 0 0 339.436 0.833 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)[C@@H]1CC(c3cccnc3)=NO1)CC2 ZINC000191834451 165036940 /nfs/dbraw/zinc/03/69/40/165036940.db2.gz AZDZSFQVMUCSCB-JSGCOSHPSA-N 0 0 340.387 0.860 10 0 ECAERN O=C(Cc1cnn(-c2ccccc2)c1)NC[C@H](O)CN1CCOCC1 ZINC000192707813 165047289 /nfs/dbraw/zinc/04/72/89/165047289.db2.gz KTBGKOXZHNEYQR-KRWDZBQOSA-N 0 0 344.415 0.224 10 0 ECAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCCCN(C)c1ccccc1F ZINC000192821104 165048671 /nfs/dbraw/zinc/04/86/71/165048671.db2.gz BJPLOPVRFIFMSV-CZUORRHYSA-N 0 0 337.395 0.750 10 0 ECAERN C[C@H](NC(=O)CCc1nc2c([nH]1)n(C)c(=O)[nH]c2=O)c1cccs1 ZINC000194121872 165064684 /nfs/dbraw/zinc/06/46/84/165064684.db2.gz JKKAZRNPPOXPNG-QMMMGPOBSA-N 0 0 347.400 0.821 10 0 ECAERN O=C(CS[C@@H]1CCS(=O)(=O)C1)N1CCN2CCCC[C@@H]2C1 ZINC000195085358 165074314 /nfs/dbraw/zinc/07/43/14/165074314.db2.gz QJUXUEFIVDWFMD-CHWSQXEVSA-N 0 0 332.491 0.603 10 0 ECAERN CCCNc1nnc(S(=O)(=O)Cc2nnnn2C(C)C)s1 ZINC000195479387 165085223 /nfs/dbraw/zinc/08/52/23/165085223.db2.gz YBUDEEGDRMEUNV-UHFFFAOYSA-N 0 0 331.427 0.901 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)N[C@H](C)CO[C@H]1CCOC1)CC2 ZINC000246123862 165123262 /nfs/dbraw/zinc/12/32/62/165123262.db2.gz AIVINILDOCTREE-UPJWGTAASA-N 0 0 337.424 0.649 10 0 ECAERN CCOCCCNC(=O)[C@H](C)N1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000247132975 165154042 /nfs/dbraw/zinc/15/40/42/165154042.db2.gz KLFWIYJOUUJRCD-JKSUJKDBSA-N 0 0 338.452 0.824 10 0 ECAERN CNC(=O)[C@@H]1CN(C[C@@H](O)COCc2ccc(Cl)cc2)CCO1 ZINC000248432134 165176004 /nfs/dbraw/zinc/17/60/04/165176004.db2.gz CNZXNTIMUYXYLW-CABCVRRESA-N 0 0 342.823 0.664 10 0 ECAERN CC[C@@H]1CCCC[C@H]1OCC(=O)NC[C@@H](O)CN1CCOCC1 ZINC000248614161 165182287 /nfs/dbraw/zinc/18/22/87/165182287.db2.gz HTDVGRGVXZNRGK-BZUAXINKSA-N 0 0 328.453 0.781 10 0 ECAERN CCn1cc(CN2CCCN(S(=O)(=O)C[C@H](C)OC)CC2)cn1 ZINC000249616167 165201643 /nfs/dbraw/zinc/20/16/43/165201643.db2.gz SUQZGZAFQRUUIX-AWEZNQCLSA-N 0 0 344.481 0.775 10 0 ECAERN Nc1c(C(=O)CN2CCN3CCCC[C@@H]3C2)c(=O)[nH]c(=O)n1C1CC1 ZINC000253551342 165210449 /nfs/dbraw/zinc/21/04/49/165210449.db2.gz QVUCRUMJAQHAMT-GFCCVEGCSA-N 0 0 347.419 0.219 10 0 ECAERN NC(=O)[C@@H]1CCCN(C(=O)CN2CC[NH2+]C[C@H]2c2cccc(F)c2)C1 ZINC000261614706 165214965 /nfs/dbraw/zinc/21/49/65/165214965.db2.gz CIQKMGWVWQSBBS-ZBFHGGJFSA-N 0 0 348.422 0.496 10 0 ECAERN Nc1cccc2c1CCCN2C(=O)CCn1cc(S(N)(=O)=O)cn1 ZINC000261754452 165237241 /nfs/dbraw/zinc/23/72/41/165237241.db2.gz KLMHGVBVMIOZJC-UHFFFAOYSA-N 0 0 349.416 0.482 10 0 ECAERN C[C@H]1OCCN[C@@H]1C(=O)NCc1cccc(CS(C)(=O)=O)c1 ZINC000261855504 165253765 /nfs/dbraw/zinc/25/37/65/165253765.db2.gz BQLYIVOMRBXHLA-RISCZKNCSA-N 0 0 326.418 0.224 10 0 ECAERN C[N@@H+](CC(=O)[O-])C[C@@H]1CN(c2ccc(OC(F)F)cn2)CCO1 ZINC000262116240 165294822 /nfs/dbraw/zinc/29/48/22/165294822.db2.gz LHNJJLDUIVZBND-LLVKDONJSA-N 0 0 331.319 0.905 10 0 ECAERN COc1cccc(C(=O)N2CCN(Cc3noc(CN)n3)CC2)c1 ZINC000262155932 165301635 /nfs/dbraw/zinc/30/16/35/165301635.db2.gz GLPRKYNWJNYIDF-UHFFFAOYSA-N 0 0 331.376 0.495 10 0 ECAERN Cc1ccccc1CC(=O)N1CCN(Cc2noc(CN)n2)CC1 ZINC000262257797 165318417 /nfs/dbraw/zinc/31/84/17/165318417.db2.gz QVUNHYKZDHIXKW-UHFFFAOYSA-N 0 0 329.404 0.724 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NS(=O)(=O)N2CCC(C)CC2)C1 ZINC000262452453 165352145 /nfs/dbraw/zinc/35/21/45/165352145.db2.gz GAMCJGZDTUIPNV-UHFFFAOYSA-N 0 0 333.454 0.490 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)c2ccc(N3CCCC3)nn2)C1 ZINC000262705435 165376273 /nfs/dbraw/zinc/37/62/73/165376273.db2.gz JIKSXTQDZOWMTP-UHFFFAOYSA-N 0 0 347.419 0.744 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)c2cccc(C(=O)NC)c2)C1 ZINC000262722229 165378110 /nfs/dbraw/zinc/37/81/10/165378110.db2.gz QHEOBIQDSOWYQH-UHFFFAOYSA-N 0 0 333.388 0.714 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)[C@@H](C)NC(=O)C2CCCC2)C1 ZINC000262734310 165379126 /nfs/dbraw/zinc/37/91/26/165379126.db2.gz VFGSXWSEMHTKBQ-LMWSTFAQSA-N 0 0 339.436 0.735 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)CN2CCCCCCC2=O)C1 ZINC000262841633 165392931 /nfs/dbraw/zinc/39/29/31/165392931.db2.gz URSKYTTVCXKGRK-UHFFFAOYSA-N 0 0 339.436 0.833 10 0 ECAERN CC(C)C(=O)N[C@@H]1CCCN(c2nnc(Cl)cc2C(N)=O)C1 ZINC000301565830 296888988 /nfs/dbraw/zinc/88/89/88/296888988.db2.gz KOCSHBFDBSTOLM-SECBINFHSA-N 0 0 325.800 0.970 10 0 ECAERN Cc1nn(C)c(=O)c(C(=O)N[C@H]2CCc3nnc(C(C)C)n3C2)c1C ZINC000170831045 226755840 /nfs/dbraw/zinc/75/58/40/226755840.db2.gz ZHCMZPIZFKBKOI-LBPRGKRZSA-N 0 0 344.419 0.857 10 0 ECAERN CN(C(=O)c1ccc(=O)n(C)c1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000122129470 222019516 /nfs/dbraw/zinc/01/95/16/222019516.db2.gz BPNWDNTXQONYET-CQSZACIVSA-N 0 0 327.388 0.916 10 0 ECAERN C[C@@H](NC(=O)c1ccco1)C(=O)N[C@@H]1CCCN(c2cccnn2)C1 ZINC000125039696 222512196 /nfs/dbraw/zinc/51/21/96/222512196.db2.gz MRESUHHTUTWNIP-CHWSQXEVSA-N 0 0 343.387 0.973 10 0 ECAERN CCOCCN1CCN(S(=O)(=O)CC[C@H]2CCCO2)C[C@H]1C ZINC000245995288 545938046 /nfs/dbraw/zinc/93/80/46/545938046.db2.gz HHNSOPVUODZKMO-HUUCEWRRSA-N 0 0 334.482 0.928 10 0 ECAERN COc1cc(C)c(S(=O)(=O)NC[C@@H]2CN(C)CCO2)c(C)c1 ZINC000074773736 263141505 /nfs/dbraw/zinc/14/15/05/263141505.db2.gz GZAIWCDBWFVCAC-CQSZACIVSA-N 0 0 328.434 0.921 10 0 ECAERN Cc1ccccc1C[C@@H](CO)NC(=O)NC[C@@H](C)N1CCOCC1 ZINC000191939499 263165694 /nfs/dbraw/zinc/16/56/94/263165694.db2.gz IQUHFGXSYUKINT-WBVHZDCISA-N 0 0 335.448 0.918 10 0 ECAERN Cc1ccccc1C[C@H](CO)NC(=O)NC[C@@H](C)N1CCOCC1 ZINC000191939506 263165805 /nfs/dbraw/zinc/16/58/05/263165805.db2.gz IQUHFGXSYUKINT-NVXWUHKLSA-N 0 0 335.448 0.918 10 0 ECAERN O=C(CN1CCC(NC(=O)[C@@H]2CNC(=O)C2)CC1)Nc1ccccc1 ZINC000194787669 263169407 /nfs/dbraw/zinc/16/94/07/263169407.db2.gz WVWKBRSFLFUBMY-ZDUSSCGKSA-N 0 0 344.415 0.342 10 0 ECAERN CC(C)(C)c1cc(C(=O)N2CCC[C@@](O)(Cn3ccnn3)C2)[nH]n1 ZINC000284532811 264224368 /nfs/dbraw/zinc/22/43/68/264224368.db2.gz GIODWNLJFWHAJG-INIZCTEOSA-N 0 0 332.408 0.966 10 0 ECAERN COC[C@H]1CN(S(=O)(=O)c2ncn(C)c2Cl)CC(C)(C)O1 ZINC000285180446 264288507 /nfs/dbraw/zinc/28/85/07/264288507.db2.gz URNYYJLWAKKGLI-SECBINFHSA-N 0 0 337.829 0.888 10 0 ECAERN C[C@@H](O)CN1CCN(C(=O)c2ccc(-n3ccnc3)nc2)C[C@H]1C ZINC000174352478 533687983 /nfs/dbraw/zinc/68/79/83/533687983.db2.gz FHEJHPCIDMWQSD-ZIAGYGMSSA-N 0 0 329.404 0.794 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1cnc3sccn3c1=O)CC2 ZINC000114864545 276694776 /nfs/dbraw/zinc/69/47/76/276694776.db2.gz XZHAKIJQWRQMHW-VIFPVBQESA-N 0 0 344.400 0.655 10 0 ECAERN CC(=O)N[C@@H]1CCCN([C@H]2CC(=O)N([C@H](C)c3cccnc3)C2=O)C1 ZINC000246207507 278145171 /nfs/dbraw/zinc/14/51/71/278145171.db2.gz ALTPWLOIWHOKER-WQVCFCJDSA-N 0 0 344.415 0.871 10 0 ECAERN C[C@H]1CN(C(=O)c2nc3ccccc3c(=O)[nH]2)C[C@H]1N1CCOCC1 ZINC000177232345 278419627 /nfs/dbraw/zinc/41/96/27/278419627.db2.gz ZMVUQYDLNJEWCJ-SWLSCSKDSA-N 0 0 342.399 0.716 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)C(=O)Nc2cccc(F)c2C)CC1 ZINC000189453522 437600369 /nfs/dbraw/zinc/60/03/69/437600369.db2.gz GLOZESMGFRYEPP-ZDUSSCGKSA-N 0 0 337.395 0.988 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)N2CC[C@@H](C(=O)OC)[C@H]2C)C1 ZINC000263510965 279058766 /nfs/dbraw/zinc/05/87/66/279058766.db2.gz YSVMKIPJGJYVPT-IKWCTNDRSA-N 0 0 341.408 0.517 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)C(=O)Nc2cc(F)ccc2F)CC1 ZINC000189475300 437601611 /nfs/dbraw/zinc/60/16/11/437601611.db2.gz MWFQZDGRYVVLDS-LBPRGKRZSA-N 0 0 341.358 0.818 10 0 ECAERN CC(C)NC(=O)CNC(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(F)cc1 ZINC000123930222 279578723 /nfs/dbraw/zinc/57/87/23/279578723.db2.gz RPIKFGXQJGPYEJ-BBRMVZONSA-N 0 0 335.379 0.986 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)C(=O)Nc2c(F)cccc2F)CC1 ZINC000189475379 437602051 /nfs/dbraw/zinc/60/20/51/437602051.db2.gz PHAGPVXJBLLQQR-LLVKDONJSA-N 0 0 341.358 0.818 10 0 ECAERN CN(C)C(=O)CNC(=O)N1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000157342436 288961961 /nfs/dbraw/zinc/96/19/61/288961961.db2.gz DCNIUQCCPYSOGH-GFCCVEGCSA-N 0 0 334.424 0.939 10 0 ECAERN CN1C(=O)C[C@@H](C(=O)N2CCNC(=O)CC2)[C@H]1c1ccc(F)cc1 ZINC000128931521 289818939 /nfs/dbraw/zinc/81/89/39/289818939.db2.gz FLUHXUPOLMEBJR-CZUORRHYSA-N 0 0 333.363 0.694 10 0 ECAERN CN1CC[C@H](NC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(F)cc2)C1=O ZINC000135438817 290209667 /nfs/dbraw/zinc/20/96/67/290209667.db2.gz XSXONWYNPPHQEI-VNHYZAJKSA-N 0 0 333.363 0.692 10 0 ECAERN CO[C@H](C(=O)N1CCO[C@@H](C[N@H+](C)CC(=O)[O-])C1)c1ccccc1 ZINC000262837595 294183717 /nfs/dbraw/zinc/18/37/17/294183717.db2.gz IPMVYMWARQCMIS-HOCLYGCPSA-N 0 0 336.388 0.618 10 0 ECAERN NC(=O)[C@H]1COCCN1C(=O)c1ccc(F)c(Br)c1 ZINC000091784394 295159105 /nfs/dbraw/zinc/15/91/05/295159105.db2.gz WKMFDEWLBQVFFZ-SNVBAGLBSA-N 0 0 331.141 0.915 10 0 ECAERN NS(=O)(=O)[C@@H]1N=CC=C(I)[C@@H]1OC1CC1 ZINC000095734519 295286031 /nfs/dbraw/zinc/28/60/31/295286031.db2.gz QDFNVGDFFKJRIY-YUMQZZPRSA-N 0 0 342.158 0.552 10 0 ECAERN O=C(N[C@H]1CCCn2ncnc21)N1CCN(Cc2ccon2)CC1 ZINC000333014200 297100683 /nfs/dbraw/zinc/10/06/83/297100683.db2.gz BRXXLDXPGDHFOJ-ZDUSSCGKSA-N 0 0 331.380 0.628 10 0 ECAERN CC(C)n1nc(C(=O)N[C@@H]2CCC(=O)NC2=O)c2ccccc2c1=O ZINC000333331845 297125890 /nfs/dbraw/zinc/12/58/90/297125890.db2.gz YWGOVSUMGSDPCU-GFCCVEGCSA-N 0 0 342.355 0.512 10 0 ECAERN NS(=O)(=O)CC1CCN(C(=O)NCCC2CCOCC2)CC1 ZINC000333388037 297130552 /nfs/dbraw/zinc/13/05/52/297130552.db2.gz YOKXFXBFZLXKGQ-UHFFFAOYSA-N 0 0 333.454 0.513 10 0 ECAERN CN1CCN(C(=O)[C@@H]2CCCN2C(=O)[C@H]2CCc3cccnc32)CC1 ZINC000333461075 297136480 /nfs/dbraw/zinc/13/64/80/297136480.db2.gz LQVXGCHAWYHDDD-HOTGVXAUSA-N 0 0 342.443 0.876 10 0 ECAERN CO[C@@H]1COC[C@H]1N1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC000333561693 297141963 /nfs/dbraw/zinc/14/19/63/297141963.db2.gz OEVNCXKNRBQKFB-HZPDHXFCSA-N 0 0 340.445 0.797 10 0 ECAERN C[C@H]1CN([C@@H](CNS(=O)(=O)N(C)C)c2cccs2)CCO1 ZINC000175223600 300291749 /nfs/dbraw/zinc/29/17/49/300291749.db2.gz VULPOQFZDWVFQI-RYUDHWBXSA-N 0 0 333.479 0.906 10 0 ECAERN CCCCN1CCOC[C@@H]1C(=O)N1CCO[C@@]2(CCO[C@@H]2C)C1 ZINC000364788362 300389527 /nfs/dbraw/zinc/38/95/27/300389527.db2.gz MZTLYHAMTZBAJS-INMHGKMJSA-N 0 0 326.437 0.894 10 0 ECAERN CCOC(=O)CSc1nnc(N)n1CC(=O)NCc1ccco1 ZINC000001923513 435962204 /nfs/dbraw/zinc/96/22/04/435962204.db2.gz RUQWULDCHRVOJM-UHFFFAOYSA-N 0 0 339.377 0.425 10 0 ECAERN C[C@H](NC(=O)C(=O)Nc1ccccc1Cn1cncn1)[C@@H]1CCCO1 ZINC000071065489 436001972 /nfs/dbraw/zinc/00/19/72/436001972.db2.gz RXEHOZIGOAHCIB-WFASDCNBSA-N 0 0 343.387 0.949 10 0 ECAERN C[C@H](NC(=O)C(=O)Nc1ccc(-n2cccn2)nc1)[C@@H]1CCCO1 ZINC000071066924 436003166 /nfs/dbraw/zinc/00/31/66/436003166.db2.gz SAKFHPFZTCTJSJ-AAEUAGOBSA-N 0 0 329.360 0.890 10 0 ECAERN Cn1c(CCNC(=O)C[C@@H]2C(=O)NCCN2C)nc2ccccc21 ZINC000071714841 436009687 /nfs/dbraw/zinc/00/96/87/436009687.db2.gz OAGWVQKTOOJYKW-CQSZACIVSA-N 0 0 329.404 0.052 10 0 ECAERN Cn1c(=O)oc2cc(S(=O)(=O)N3C[C@@H](F)C[C@H]3CO)ccc21 ZINC000372430243 301001179 /nfs/dbraw/zinc/00/11/79/301001179.db2.gz ZATQUTWOPUUDKC-IUCAKERBSA-N 0 0 330.337 0.225 10 0 ECAERN NC(=O)[C@]1(O)CCCN(C(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)C1 ZINC000375736162 301203750 /nfs/dbraw/zinc/20/37/50/301203750.db2.gz XUDABRFDNHZFDM-ZBEGNZNMSA-N 0 0 335.335 0.090 10 0 ECAERN COC(=O)c1ccc(S(=O)(=O)N2C[C@H]3OCCN(C)[C@H]3C2)s1 ZINC000377733367 301370448 /nfs/dbraw/zinc/37/04/48/301370448.db2.gz VTSQOROBTVELJJ-VHSXEESVSA-N 0 0 346.430 0.238 10 0 ECAERN CC(=O)N[C@H]1CCCN(CC(=O)N2CCN(Cc3ccco3)CC2)C1 ZINC000077170324 436227629 /nfs/dbraw/zinc/22/76/29/436227629.db2.gz BEMQGOLBHPMDNV-INIZCTEOSA-N 0 0 348.447 0.524 10 0 ECAERN CC(=O)N[C@@H]1CCCN(CC(=O)NCCOc2cccc(F)c2)C1 ZINC000080025463 436310132 /nfs/dbraw/zinc/31/01/32/436310132.db2.gz DJRAWKIFVAAHPF-OAHLLOKOSA-N 0 0 337.395 0.921 10 0 ECAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)[C@@H]1CC(=O)N(CCOC)C1 ZINC000088196488 436399276 /nfs/dbraw/zinc/39/92/76/436399276.db2.gz DJIBSJUWBARSMS-VXGBXAGGSA-N 0 0 335.408 0.287 10 0 ECAERN COc1cc2nc(N[C@@H]3CCS(=O)(=O)C3)nc(N)c2cc1OC ZINC000089432333 436410881 /nfs/dbraw/zinc/41/08/81/436410881.db2.gz XFJILNNYJDGGKQ-MRVPVSSYSA-N 0 0 338.389 0.828 10 0 ECAERN COCCc1noc(COC2CCN(C(=O)[C@@H]3CCCO3)CC2)n1 ZINC000097942492 436545122 /nfs/dbraw/zinc/54/51/22/436545122.db2.gz MANUTNLNGJJVHA-ZDUSSCGKSA-N 0 0 339.392 0.945 10 0 ECAERN CC(=O)N[C@H]1CCCN(C(=O)Cc2c(C)nc3cc(=O)[nH]n3c2C)C1 ZINC000104853980 436564998 /nfs/dbraw/zinc/56/49/98/436564998.db2.gz QANJLPUXGSCARO-ZDUSSCGKSA-N 0 0 345.403 0.309 10 0 ECAERN Cc1cnn([C@H]2CCCN(C(=O)CN3C(=O)NC(C)(C)C3=O)C2)c1 ZINC000105857616 436581097 /nfs/dbraw/zinc/58/10/97/436581097.db2.gz LRNBLILPXBLBEZ-LBPRGKRZSA-N 0 0 333.392 0.685 10 0 ECAERN Cc1nn(C)c(C)c1CN1CCN(CC(=O)NC(=O)NC2CC2)CC1 ZINC000105865639 436581222 /nfs/dbraw/zinc/58/12/22/436581222.db2.gz FEZXQGKMULWLRF-UHFFFAOYSA-N 0 0 348.451 0.143 10 0 ECAERN Cc1cnn([C@@H]2CCCN(C(=O)c3cn(CC(=O)N(C)C)nn3)C2)c1 ZINC000105860094 436582172 /nfs/dbraw/zinc/58/21/72/436582172.db2.gz WBWSNWVMVNLPLV-CYBMUJFWSA-N 0 0 345.407 0.349 10 0 ECAERN COCCCNC(=O)[C@H](C)N1CCO[C@H](Cn2nc(C)cc2C)C1 ZINC000105893577 436585253 /nfs/dbraw/zinc/58/52/53/436585253.db2.gz XOLVFIZBOSWMNG-HOTGVXAUSA-N 0 0 338.452 0.742 10 0 ECAERN COc1cccc(CNC(=O)N2CCO[C@@H](Cn3cccn3)C2)n1 ZINC000111846551 436632680 /nfs/dbraw/zinc/63/26/80/436632680.db2.gz GNBCEKKVJPPJAU-CQSZACIVSA-N 0 0 331.376 0.897 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)NCC(=O)NCC(F)(F)F)CC2 ZINC000114937906 436645314 /nfs/dbraw/zinc/64/53/14/436645314.db2.gz AOTFNHKSGNGIBD-MRVPVSSYSA-N 0 0 348.329 0.133 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)N(C)CCN1CCOCC1)CC2 ZINC000114975290 436645713 /nfs/dbraw/zinc/64/57/13/436645713.db2.gz XOEDYHHTZOUYHA-ZDUSSCGKSA-N 0 0 336.440 0.129 10 0 ECAERN CCc1nccn1[C@@H]1CCCN(C(=O)C2=NN(CCO)C(=O)CC2)C1 ZINC000136958156 436654429 /nfs/dbraw/zinc/65/44/29/436654429.db2.gz PGCQNXFSFNZXIP-CYBMUJFWSA-N 0 0 347.419 0.580 10 0 ECAERN Cc1ccc(C(N)=O)cc1NC(=O)C(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000150773014 436688443 /nfs/dbraw/zinc/68/84/43/436688443.db2.gz HGBMXFONYPFBPZ-WFASDCNBSA-N 0 0 346.431 0.877 10 0 ECAERN CCCN(C)S(=O)(=O)N1CCN([C@@H](C)c2nc(C)no2)CC1 ZINC000120500526 436688986 /nfs/dbraw/zinc/68/89/86/436688986.db2.gz ZACAOCZXCLSUTB-NSHDSACASA-N 0 0 331.442 0.643 10 0 ECAERN COc1ccc(C(=O)N[C@@H]2CCCC[C@H]2CO)cc1-n1cnnn1 ZINC000120898403 436701395 /nfs/dbraw/zinc/70/13/95/436701395.db2.gz IXQVXKKHYILSFB-QWHCGFSZSA-N 0 0 331.376 0.952 10 0 ECAERN COCc1nc2n(n1)C[C@H](NC(=O)NCCn1cc(C)cn1)CC2 ZINC000151593156 436707250 /nfs/dbraw/zinc/70/72/50/436707250.db2.gz DYJMZGNLAHFLII-GFCCVEGCSA-N 0 0 333.396 0.244 10 0 ECAERN CCn1cnnc1-c1ccccc1NC(=O)C(=O)N1CCC[C@@H]1CO ZINC000121144783 436708463 /nfs/dbraw/zinc/70/84/63/436708463.db2.gz WKILHXJDKLHPMQ-GFCCVEGCSA-N 0 0 343.387 0.887 10 0 ECAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)N[C@H](CO)CC(C)C ZINC000121188858 436710198 /nfs/dbraw/zinc/71/01/98/436710198.db2.gz RTHKPSPNLCCDRR-NWDGAFQWSA-N 0 0 325.413 0.966 10 0 ECAERN CCOc1ccnc(N2CCN(C[C@H](C)CS(C)(=O)=O)CC2)n1 ZINC000118998859 436664361 /nfs/dbraw/zinc/66/43/61/436664361.db2.gz HHKUQZOUFLBPEI-ZDUSSCGKSA-N 0 0 342.465 0.678 10 0 ECAERN Cc1cnn(C[C@@H]2CN(C(=O)CCCCc3c[nH]nn3)CCO2)c1 ZINC000139328353 436664744 /nfs/dbraw/zinc/66/47/44/436664744.db2.gz ITAIHJBTMQOATB-HNNXBMFYSA-N 0 0 332.408 0.950 10 0 ECAERN CCCC[C@@H](NC(=O)NCC)C(=O)NC[C@@H](C)N1CCOCC1 ZINC000119078822 436665579 /nfs/dbraw/zinc/66/55/79/436665579.db2.gz RGMAPZRCGLMXEG-ZIAGYGMSSA-N 0 0 328.457 0.701 10 0 ECAERN Cc1nc(Cl)ccc1NC(=O)NC[C@@H](O)CN1CCOCC1 ZINC000194652174 436669781 /nfs/dbraw/zinc/66/97/81/436669781.db2.gz ZLBCAIMVCRXRKG-LLVKDONJSA-N 0 0 328.800 0.858 10 0 ECAERN CCCCOC[C@H](O)CN1CCN(c2ncccc2C(N)=O)CC1 ZINC000195186450 436682773 /nfs/dbraw/zinc/68/27/73/436682773.db2.gz WQCIGOJIRZXKKT-CQSZACIVSA-N 0 0 336.436 0.480 10 0 ECAERN CO[C@@H](C)CS(=O)(=O)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000195285980 436686065 /nfs/dbraw/zinc/68/60/65/436686065.db2.gz LLUSHGUGKGORBY-HOCLYGCPSA-N 0 0 342.461 0.702 10 0 ECAERN CCOCCN1CCN(C(=O)CS(=O)(=O)C(C)(C)C)C[C@@H]1C ZINC000153079529 436746645 /nfs/dbraw/zinc/74/66/45/436746645.db2.gz GYOFJRCFHFODJT-ZDUSSCGKSA-N 0 0 334.482 0.769 10 0 ECAERN Cc1cc(N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)n2nc(C(F)(F)F)nc2n1 ZINC000153191535 436750241 /nfs/dbraw/zinc/75/02/41/436750241.db2.gz ZCMUXVVJTXELJY-NXEZZACHSA-N 0 0 342.325 0.971 10 0 ECAERN C[C@H]1C[C@H]1NC(=O)C(=O)Nc1cc(Br)cn(C)c1=O ZINC000124558111 436752805 /nfs/dbraw/zinc/75/28/05/436752805.db2.gz GSDKUKXKETZGFQ-POYBYMJQSA-N 0 0 328.166 0.611 10 0 ECAERN O=C(c1cccc(-n2ccnn2)c1)N1CC[C@@H](N2CCOCC2)C1 ZINC000153743818 436761577 /nfs/dbraw/zinc/76/15/77/436761577.db2.gz HLUJDKLBPOWRRE-MRXNPFEDSA-N 0 0 327.388 0.814 10 0 ECAERN Cc1ccc([C@@H](C)NC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)o1 ZINC000069142030 436763869 /nfs/dbraw/zinc/76/38/69/436763869.db2.gz HSFDYSDXDGPPOA-HUUCEWRRSA-N 0 0 349.431 0.946 10 0 ECAERN CC(=O)N1CCOC[C@H]1C(=O)NCCc1nc2cc(F)ccc2[nH]1 ZINC000156645172 436819190 /nfs/dbraw/zinc/81/91/90/436819190.db2.gz GKWFTTYIOGCHRX-AWEZNQCLSA-N 0 0 334.351 0.608 10 0 ECAERN C[C@H](CN1CCOCC1)NC(=O)N1CC[C@H](Oc2ccncc2)C1 ZINC000154026144 436769219 /nfs/dbraw/zinc/76/92/19/436769219.db2.gz IMDNJBSTOHGPFV-ZBFHGGJFSA-N 0 0 334.420 0.965 10 0 ECAERN COCCOCCNC(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000156863066 436821652 /nfs/dbraw/zinc/82/16/52/436821652.db2.gz GAFSCXZJUQBBLQ-GFCCVEGCSA-N 0 0 325.413 0.679 10 0 ECAERN C[C@@H](NC(=O)c1ccco1)C(=O)N1CCC[C@@H](Cn2ccnn2)C1 ZINC000126285120 436784593 /nfs/dbraw/zinc/78/45/93/436784593.db2.gz TYNBMJLNDKHSNW-CHWSQXEVSA-N 0 0 331.376 0.928 10 0 ECAERN COCCOCCS(=O)(=O)N1CCC[C@H]1Cn1ccnc1C ZINC000155047156 436788023 /nfs/dbraw/zinc/78/80/23/436788023.db2.gz UQDHZIAPZGGACR-AWEZNQCLSA-N 0 0 331.438 0.649 10 0 ECAERN CN1CCO[C@H](CNC(=O)C(=O)Nc2cnn(-c3ccccc3)c2)C1 ZINC000127017073 436796139 /nfs/dbraw/zinc/79/61/39/436796139.db2.gz XODLHACDOYROHB-OAHLLOKOSA-N 0 0 343.387 0.258 10 0 ECAERN CC(C)(C)OC[C@@H](O)CN1CCC(N2CCS(=O)(=O)CC2)CC1 ZINC000155913753 436805032 /nfs/dbraw/zinc/80/50/32/436805032.db2.gz PEPAKFBTCXKPKR-HNNXBMFYSA-N 0 0 348.509 0.357 10 0 ECAERN C[C@H](O)CN1CCN(C(=O)c2nc3ccccc3c(=O)[nH]2)C[C@@H]1C ZINC000253547727 436848360 /nfs/dbraw/zinc/84/83/60/436848360.db2.gz FXKWDEIRAFLWHQ-RYUDHWBXSA-N 0 0 330.388 0.863 10 0 ECAERN C[C@H](CNC(=O)Nc1ccnn1C[C@H]1CCOC1)N1CCOCC1 ZINC000159247795 436855499 /nfs/dbraw/zinc/85/54/99/436855499.db2.gz GOOMJYLSVODRCO-ZIAGYGMSSA-N 0 0 337.424 0.762 10 0 ECAERN O=C(NC[C@@H]1CCCC[C@H]1O)C(=O)Nc1cnn(CC(F)F)c1 ZINC000157599584 436830368 /nfs/dbraw/zinc/83/03/68/436830368.db2.gz YGDBLEZZDOJSDI-GXSJLCMTSA-N 0 0 330.335 0.754 10 0 ECAERN O=C(C[C@@H]1NC(=O)NC1=O)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000157667307 436831162 /nfs/dbraw/zinc/83/11/62/436831162.db2.gz LVRDFPWBBJWOOU-VHSXEESVSA-N 0 0 329.278 0.874 10 0 ECAERN Cc1ccc(N2CC[C@@H](NC(=O)N[C@H](C(N)=O)C(C)C)C2=O)cc1 ZINC000135318002 436914018 /nfs/dbraw/zinc/91/40/18/436914018.db2.gz RDRUYKJGXHDTBK-KGLIPLIRSA-N 0 0 332.404 0.909 10 0 ECAERN CC(C)c1nc2n(n1)C[C@H](NS(=O)(=O)[C@@H]1CCO[C@H]1C)CC2 ZINC000135726641 436923971 /nfs/dbraw/zinc/92/39/71/436923971.db2.gz AKBPGOJPCAFHFB-QJPTWQEYSA-N 0 0 328.438 0.813 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)N(C)CCS(=O)(=O)CC)CC2 ZINC000133524057 436880348 /nfs/dbraw/zinc/88/03/48/436880348.db2.gz QAIWJVGXHDHXAU-LLVKDONJSA-N 0 0 343.453 0.231 10 0 ECAERN CCCCn1nccc1NC(=O)C(=O)NC[C@@H](C)N1CCOCC1 ZINC000134089737 436888544 /nfs/dbraw/zinc/88/85/44/436888544.db2.gz ITALAOJGVRLILP-CYBMUJFWSA-N 0 0 337.424 0.459 10 0 ECAERN CCn1cc(C(=O)C(=O)N2CCO[C@H](Cn3cc(C)cn3)C2)cn1 ZINC000134356958 436895829 /nfs/dbraw/zinc/89/58/29/436895829.db2.gz XMCLUXYEQNRDJT-AWEZNQCLSA-N 0 0 331.376 0.518 10 0 ECAERN COCC(=O)N(C)CC(=O)N1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC000135014784 436908623 /nfs/dbraw/zinc/90/86/23/436908623.db2.gz RVYKIJWBFGOBLH-CQSZACIVSA-N 0 0 337.424 0.238 10 0 ECAERN CN1CCO[C@@H](CNC(=O)NCCNC(=O)c2ccccc2F)C1 ZINC000170924395 436961733 /nfs/dbraw/zinc/96/17/33/436961733.db2.gz VUVFUTSVAZXOJF-LBPRGKRZSA-N 0 0 338.383 0.185 10 0 ECAERN NC(=O)c1cc([C@@H]2CCCN(C(=O)[C@@H]3CC(F)(F)CN3)C2)n[nH]1 ZINC000263310231 436962331 /nfs/dbraw/zinc/96/23/31/436962331.db2.gz YLIZBEZVLVZXOP-KCJUWKMLSA-N 0 0 327.335 0.212 10 0 ECAERN C[C@H](O)[C@H]1CCCC[N@@H+]1C[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000170957038 436962986 /nfs/dbraw/zinc/96/29/86/436962986.db2.gz OPQYUASDPDSSHZ-HEHGZKQESA-N 0 0 332.400 0.879 10 0 ECAERN O=C([O-])C[N@H+](CC1CC1)C1CC(NC(=O)c2cnn3ncccc23)C1 ZINC000263413234 436965196 /nfs/dbraw/zinc/96/51/96/436965196.db2.gz JKAWZYPEMDFXPO-UHFFFAOYSA-N 0 0 343.387 0.787 10 0 ECAERN CCCCN(C)S(=O)(=O)NC1CC([N@@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263481352 436968210 /nfs/dbraw/zinc/96/82/10/436968210.db2.gz KYJAEMZVIKRICI-UHFFFAOYSA-N 0 0 347.481 0.880 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)N2CC[C@H](C(=O)OC)[C@H]2C)C1 ZINC000263510967 436969566 /nfs/dbraw/zinc/96/95/66/436969566.db2.gz YSVMKIPJGJYVPT-XVSSEFHLSA-N 0 0 341.408 0.517 10 0 ECAERN COCC[NH2+]CC(=O)N(C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000168180518 436940969 /nfs/dbraw/zinc/94/09/69/436940969.db2.gz TZLKSVINRUGJRE-AWEZNQCLSA-N 0 0 341.477 0.816 10 0 ECAERN COC[C@H](O)CN1CCO[C@@H](COc2ccc3c(c2)OCO3)C1 ZINC000169679755 436943581 /nfs/dbraw/zinc/94/35/81/436943581.db2.gz RGLUMBGKDIUBEE-TZMCWYRMSA-N 0 0 325.361 0.502 10 0 ECAERN C[N@@H+](CC(=O)[O-])C[C@@H]1CN(C(=O)CCc2ccsc2)CCO1 ZINC000262900033 436943803 /nfs/dbraw/zinc/94/38/03/436943803.db2.gz IAFVQTLQNKFNON-CYBMUJFWSA-N 0 0 326.418 0.925 10 0 ECAERN C[N@H+](CC(=O)[O-])C1CCN(CC(=O)NCCOc2ccccc2)CC1 ZINC000262927854 436944783 /nfs/dbraw/zinc/94/47/83/436944783.db2.gz LTCURJCLJPEXOU-UHFFFAOYSA-N 0 0 349.431 0.662 10 0 ECAERN Cc1ccn2cc(C(=O)N3CCO[C@@H](C[N@@H+](C)CC(=O)[O-])C3)nc2c1 ZINC000262935646 436945256 /nfs/dbraw/zinc/94/52/56/436945256.db2.gz MTUPFHWIQLQEKM-ZDUSSCGKSA-N 0 0 346.387 0.500 10 0 ECAERN CN1CCN(C[C@H](O)COc2cccc(Br)c2)CC1=O ZINC000172659503 437024271 /nfs/dbraw/zinc/02/42/71/437024271.db2.gz CEGAPOYNGPMMCY-LBPRGKRZSA-N 0 0 343.221 0.963 10 0 ECAERN CC(C)CS(=O)(=O)CCC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000172753244 437026831 /nfs/dbraw/zinc/02/68/31/437026831.db2.gz JXWYPYUAUAVQHE-CQSZACIVSA-N 0 0 332.466 0.380 10 0 ECAERN O=C(c1cn(Cc2ccccc2)nn1)N1CC[C@H](N2CCOCC2)C1 ZINC000172754019 437028103 /nfs/dbraw/zinc/02/81/03/437028103.db2.gz HDSYTVLECGXVPG-INIZCTEOSA-N 0 0 341.415 0.873 10 0 ECAERN CCNC(=O)CNC(=O)N1CCCN(Cc2csc(C)n2)CC1 ZINC000172170627 437001652 /nfs/dbraw/zinc/00/16/52/437001652.db2.gz BIBREPVTAXHXJH-UHFFFAOYSA-N 0 0 339.465 0.805 10 0 ECAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)CCNS(C)(=O)=O)C2)n1 ZINC000172301458 437008908 /nfs/dbraw/zinc/00/89/08/437008908.db2.gz FJZKPWDAUOMSDE-ZDUSSCGKSA-N 0 0 343.453 0.073 10 0 ECAERN O=C(CNC(=O)c1cc2ccccc2[nH]1)N[C@@H]1CCc2ncnn2C1 ZINC000173372486 437046788 /nfs/dbraw/zinc/04/67/88/437046788.db2.gz JSEFYBSRKKVUAV-GFCCVEGCSA-N 0 0 338.371 0.620 10 0 ECAERN CNc1cc(N2CCC[C@H]2CNC(=O)NC[C@H](O)C(C)C)ncn1 ZINC000173429912 437050211 /nfs/dbraw/zinc/05/02/11/437050211.db2.gz JOKJHVSBOJFINX-STQMWFEESA-N 0 0 336.440 0.803 10 0 ECAERN CNc1cc(N2CCC[C@@H]2CNC(=O)CCn2cncn2)ncn1 ZINC000173425398 437050868 /nfs/dbraw/zinc/05/08/68/437050868.db2.gz SLSAHGBCVSNKMP-GFCCVEGCSA-N 0 0 330.396 0.285 10 0 ECAERN CNc1cc(N2CCC[C@H]2CNC(=O)C(=O)c2cnn(C)c2)ncn1 ZINC000173427627 437051056 /nfs/dbraw/zinc/05/10/56/437051056.db2.gz OFFCEZVKYKTDRK-LBPRGKRZSA-N 0 0 343.391 0.220 10 0 ECAERN O=S(=O)(c1ccc2c(c1)CCC2)N1CC[C@@](O)(c2cn[nH]n2)C1 ZINC000284328872 437052814 /nfs/dbraw/zinc/05/28/14/437052814.db2.gz AHMAWUUQLSIZLW-HNNXBMFYSA-N 0 0 334.401 0.576 10 0 ECAERN NC(=O)COc1cccc(CNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000173511549 437053715 /nfs/dbraw/zinc/05/37/15/437053715.db2.gz XELYPJBXQGPVOC-AWEZNQCLSA-N 0 0 332.404 0.540 10 0 ECAERN CCc1nnc([C@@H]2CN(C(=O)[C@@H](C)NC(=O)c3ccco3)CCO2)[nH]1 ZINC000173558961 437056168 /nfs/dbraw/zinc/05/61/68/437056168.db2.gz YXMDBTVDAOTHJP-PWSUYJOCSA-N 0 0 347.375 0.679 10 0 ECAERN CCc1nnc([C@H]2CN(C(=O)c3cccc(C(N)=O)c3)CCO2)[nH]1 ZINC000173611415 437058629 /nfs/dbraw/zinc/05/86/29/437058629.db2.gz IBWAHMPWRRAQTI-GFCCVEGCSA-N 0 0 329.360 0.680 10 0 ECAERN O=S(=O)(c1cccc(F)c1F)N1CC[C@](O)(c2cn[nH]n2)C1 ZINC000284944899 437073391 /nfs/dbraw/zinc/07/33/91/437073391.db2.gz JNHVACPBDCCISR-GFCCVEGCSA-N 0 0 330.316 0.365 10 0 ECAERN C[C@@H](O)CN1CCN(C(=O)COCCOc2ccccc2)C[C@@H]1C ZINC000174336083 437078824 /nfs/dbraw/zinc/07/88/24/437078824.db2.gz WXKBGAIPCCYMFQ-JKSUJKDBSA-N 0 0 336.432 0.996 10 0 ECAERN C[C@@H](CNC(=O)C(=O)Nc1ccc2ccn(C)c2c1)N1CCOCC1 ZINC000174629196 437082514 /nfs/dbraw/zinc/08/25/14/437082514.db2.gz LUINWHBDBQJHRO-ZDUSSCGKSA-N 0 0 344.415 0.954 10 0 ECAERN C[C@H]1CN(C(=O)NCc2nnc3n2CCCC3)C[C@@H]1N1CCOCC1 ZINC000175692491 437112158 /nfs/dbraw/zinc/11/21/58/437112158.db2.gz ZQHXTKUOSNMYIT-KBPBESRZSA-N 0 0 348.451 0.477 10 0 ECAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)CCN1CCCS1(=O)=O ZINC000176664515 437153072 /nfs/dbraw/zinc/15/30/72/437153072.db2.gz ZRMQUFXSAVFQFK-LLVKDONJSA-N 0 0 341.437 0.217 10 0 ECAERN CCOCCN1CCN(C(=O)[C@@H](C)CS(C)(=O)=O)C[C@H]1CC ZINC000176853308 437158695 /nfs/dbraw/zinc/15/86/95/437158695.db2.gz VUYKGXBPVFBKTR-UONOGXRCSA-N 0 0 334.482 0.626 10 0 ECAERN C[C@@H]1CN(C(=O)NCc2ccc(C(N)=O)cc2)C[C@@H]1N1CCOCC1 ZINC000175676989 437113096 /nfs/dbraw/zinc/11/30/96/437113096.db2.gz HNGUJTFXAILHGI-CJNGLKHVSA-N 0 0 346.431 0.648 10 0 ECAERN COc1cc(CNC(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)ccn1 ZINC000175651000 437113312 /nfs/dbraw/zinc/11/33/12/437113312.db2.gz ULNQGXLSXOZCQR-DZGCQCFKSA-N 0 0 334.420 0.952 10 0 ECAERN COC(=O)c1cc(S(=O)(=O)NCCn2cc(C)cn2)oc1C ZINC000175833439 437121029 /nfs/dbraw/zinc/12/10/29/437121029.db2.gz ZZMHGVRDRSYBRT-UHFFFAOYSA-N 0 0 327.362 0.858 10 0 ECAERN NC(=O)c1cncc(N2C[C@H]3OCCN(Cc4ccccc4)[C@H]3C2)n1 ZINC000301617292 437127849 /nfs/dbraw/zinc/12/78/49/437127849.db2.gz CJMIEERYBJHSMT-JKSUJKDBSA-N 0 0 339.399 0.665 10 0 ECAERN Cc1cc(C)n(-c2cncc(NC[C@@H](O)CN3CCOCC3)n2)n1 ZINC000301742645 437130614 /nfs/dbraw/zinc/13/06/14/437130614.db2.gz VMLIQZYXBMLJLV-CQSZACIVSA-N 0 0 332.408 0.384 10 0 ECAERN CS(=O)(=O)NCCNC(=O)N1CCCC[C@@H]1c1nccs1 ZINC000176192427 437133000 /nfs/dbraw/zinc/13/30/00/437133000.db2.gz JEZOYFCWNMXOSQ-SNVBAGLBSA-N 0 0 332.451 0.929 10 0 ECAERN C[C@H]1CN(S(=O)(=O)CC2CCOCC2)C[C@@H]1N1CCOCC1 ZINC000176997014 437164760 /nfs/dbraw/zinc/16/47/60/437164760.db2.gz IXFOVYSSROIZCL-ZFWWWQNUSA-N 0 0 332.466 0.395 10 0 ECAERN O=C(NCCNC(=O)c1ccccc1)N[C@@H]1CCCn2ncnc21 ZINC000177322497 437178181 /nfs/dbraw/zinc/17/81/81/437178181.db2.gz BTSFSGHPKHNOAH-CYBMUJFWSA-N 0 0 328.376 0.842 10 0 ECAERN C[C@@H](O)CN1CCN(C(=O)C(=O)Nc2ccc(Cl)nc2)C[C@@H]1C ZINC000177608270 437192701 /nfs/dbraw/zinc/19/27/01/437192701.db2.gz LJIZTZXVPFNXAP-WDEREUQCSA-N 0 0 340.811 0.587 10 0 ECAERN CNC(=O)[C@H](NC(=O)c1cc(Cl)ccc1-n1cnnn1)C(C)C ZINC000178852798 437233378 /nfs/dbraw/zinc/23/33/78/437233378.db2.gz ATQDSXUBNQTUBT-GFCCVEGCSA-N 0 0 336.783 0.816 10 0 ECAERN CNC(=O)[C@H](NC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccnc1)C(C)C ZINC000178867070 437235659 /nfs/dbraw/zinc/23/56/59/437235659.db2.gz IAKKAMSFMFWYAJ-NWANDNLSSA-N 0 0 332.404 0.488 10 0 ECAERN O=S(=O)(N1C[C@H](CO)[C@@H](c2ccsc2)C1)N1CCOCC1 ZINC000328613455 437239101 /nfs/dbraw/zinc/23/91/01/437239101.db2.gz SAKOLRXVNJLTNS-CHWSQXEVSA-N 0 0 332.447 0.333 10 0 ECAERN CCNC(=O)c1ccc(N[C@@H]2CCCN(c3ncc[nH]c3=O)C2)nn1 ZINC000328622822 437241228 /nfs/dbraw/zinc/24/12/28/437241228.db2.gz IRUYDDYQQKKLDT-LLVKDONJSA-N 0 0 343.391 0.803 10 0 ECAERN CNC(=O)c1ccc([C@@H]2CCCCN2c2ccc3nnnn3n2)n1C ZINC000328623462 437241268 /nfs/dbraw/zinc/24/12/68/437241268.db2.gz JEUTWFCSPTYQAI-LBPRGKRZSA-N 0 0 340.391 0.949 10 0 ECAERN CCN1CCN(C(=O)Nc2cc(C)n(C)n2)C[C@@H]1c1nccn1C ZINC000328632414 437243214 /nfs/dbraw/zinc/24/32/14/437243214.db2.gz RTQXMPITZKGQGP-CYBMUJFWSA-N 0 0 331.424 1.373 10 0 ECAERN CC(C)COC[C@H](O)Cn1cnc2c1ncnc2N1CCOCC1 ZINC000179759674 437274421 /nfs/dbraw/zinc/27/44/21/437274421.db2.gz IEYVFMJLRANSGL-CYBMUJFWSA-N 0 0 335.408 0.696 10 0 ECAERN CCn1cc(NC(=O)C(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)cn1 ZINC000180247673 437283261 /nfs/dbraw/zinc/28/32/61/437283261.db2.gz RJTFDSPIRNZWRM-GXTWGEPZSA-N 0 0 335.408 0.021 10 0 ECAERN C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2F)C[C@@H]1N1CCOCC1 ZINC000180259605 437284749 /nfs/dbraw/zinc/28/47/49/437284749.db2.gz OPECNAOYQRCVEX-DOMZBBRYSA-N 0 0 335.379 0.943 10 0 ECAERN CN1CCO[C@H](CNC(=O)C(=O)Nc2c[nH]nc2-c2ccccc2)C1 ZINC000180568381 437293864 /nfs/dbraw/zinc/29/38/64/437293864.db2.gz RJLGALYIHNNLAD-CYBMUJFWSA-N 0 0 343.387 0.462 10 0 ECAERN CC[C@H](O)CN1CCN(S(=O)(=O)Cc2ccc(Cl)nc2)CC1 ZINC000182402699 437348957 /nfs/dbraw/zinc/34/89/57/437348957.db2.gz LFOJJXZZBNKCQF-ZDUSSCGKSA-N 0 0 347.868 0.953 10 0 ECAERN CC(C)Cn1ncnc1CN1CCN(c2ccc3nncn3n2)CC1 ZINC000182750152 437362862 /nfs/dbraw/zinc/36/28/62/437362862.db2.gz FTKGZCYFJGPGCZ-UHFFFAOYSA-N 0 0 341.423 0.694 10 0 ECAERN CNc1cc(N2CCC[C@H]2CNC(=O)N[C@@H](C)c2nc[nH]n2)ncn1 ZINC000183130592 437374177 /nfs/dbraw/zinc/37/41/77/437374177.db2.gz ZIPXFOZKIOAGMB-QWRGUYRKSA-N 0 0 345.411 0.666 10 0 ECAERN Cc1cc(N2CCC[C@@H](NC(=O)N[C@@H](C)c3nc[nH]n3)C2=O)n(C)n1 ZINC000183154656 437376258 /nfs/dbraw/zinc/37/62/58/437376258.db2.gz ZIHHKYBTGIXASQ-WDEREUQCSA-N 0 0 346.395 0.402 10 0 ECAERN Cc1noc([C@H]2COCCN2C(=O)CNC(=O)c2cccc(F)c2)n1 ZINC000182085856 437337205 /nfs/dbraw/zinc/33/72/05/437337205.db2.gz XMWSMRNFKUTZCO-CYBMUJFWSA-N 0 0 348.334 0.847 10 0 ECAERN COCCCCS(=O)(=O)N1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000184638206 437408019 /nfs/dbraw/zinc/40/80/19/437408019.db2.gz IMDLWGRHPQUJHL-AWEZNQCLSA-N 0 0 331.438 0.649 10 0 ECAERN C[C@H](c1nccs1)N1CCN(C[C@@H](O)CN2CCCC2=O)CC1 ZINC000184620503 437409152 /nfs/dbraw/zinc/40/91/52/437409152.db2.gz RGMAPQXHLMQUFJ-ZIAGYGMSSA-N 0 0 338.477 0.805 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)NCCCNc2ccccn2)CC1 ZINC000184858135 437416162 /nfs/dbraw/zinc/41/61/62/437416162.db2.gz UEAFRFVYHDLDPK-OAHLLOKOSA-N 0 0 335.452 0.982 10 0 ECAERN CN(CCOc1ccccc1F)C(=O)CN1C[C@@H](O)C[C@@H]1CO ZINC000185148491 437427781 /nfs/dbraw/zinc/42/77/81/437427781.db2.gz URUXVBDINGSRNY-OLZOCXBDSA-N 0 0 326.368 0.090 10 0 ECAERN COc1ccc(Cl)cc1CNC(=O)CN1C[C@@H](O)C[C@@H]1CO ZINC000185165651 437430080 /nfs/dbraw/zinc/43/00/80/437430080.db2.gz AACOAZDRMXCTGV-OLZOCXBDSA-N 0 0 328.796 0.392 10 0 ECAERN COc1ccc(C(=O)NC[C@H]2CCCC[C@H]2O)cc1-n1cnnn1 ZINC000183183500 437378912 /nfs/dbraw/zinc/37/89/12/437378912.db2.gz HIALJLFPAVGQNG-TZMCWYRMSA-N 0 0 331.376 0.952 10 0 ECAERN COc1ccc(C(=O)NC[C@@H]2CCCC[C@@H]2O)cc1-n1cnnn1 ZINC000183183433 437379901 /nfs/dbraw/zinc/37/99/01/437379901.db2.gz HIALJLFPAVGQNG-JSGCOSHPSA-N 0 0 331.376 0.952 10 0 ECAERN CCOc1ccnc(N2CCN(C(=O)Cc3ccn(C)n3)CC2)n1 ZINC000183429801 437385092 /nfs/dbraw/zinc/38/50/92/437385092.db2.gz LIUPIUMNUMHNPW-UHFFFAOYSA-N 0 0 330.392 0.500 10 0 ECAERN NC(=O)[C@H]1COCCN1S(=O)(=O)/C=C/c1cccc(Cl)c1 ZINC000184235325 437398796 /nfs/dbraw/zinc/39/87/96/437398796.db2.gz YVKQNLCYAZDZJV-RPTYSRGTSA-N 0 0 330.793 0.827 10 0 ECAERN CN(C)c1ncncc1NC(=O)C(=O)N1CCC[C@@H]1c1cnn(C)c1 ZINC000184456804 437401779 /nfs/dbraw/zinc/40/17/79/437401779.db2.gz VEWZHYYMKNMHDV-CYBMUJFWSA-N 0 0 343.391 0.578 10 0 ECAERN COCC(=O)NC1CN(C(=O)[C@@H]2CCCN2Cc2ccc(F)cc2)C1 ZINC000186316217 437470134 /nfs/dbraw/zinc/47/01/34/437470134.db2.gz QFPGRULSDRXIMZ-INIZCTEOSA-N 0 0 349.406 0.764 10 0 ECAERN COCC(=O)NC1CN(C(=O)CCc2nc(-c3ccoc3)no2)C1 ZINC000185265876 437432054 /nfs/dbraw/zinc/43/20/54/437432054.db2.gz LMBUDSPQAUKLNF-UHFFFAOYSA-N 0 0 334.332 0.236 10 0 ECAERN COCC(=O)NC1CN(C(=O)[C@@H]2CCCN(CC(F)(F)F)C2)C1 ZINC000185261336 437432730 /nfs/dbraw/zinc/43/27/30/437432730.db2.gz ZHOOCSKATXKUJL-SNVBAGLBSA-N 0 0 337.342 0.234 10 0 ECAERN Cc1nnc(C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)s1 ZINC000185339220 437435820 /nfs/dbraw/zinc/43/58/20/437435820.db2.gz KCTVXGCMDXNOQN-ZETCQYMHSA-N 0 0 326.403 0.985 10 0 ECAERN CC(C)[C@@H](O)CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1 ZINC000185398781 437436542 /nfs/dbraw/zinc/43/65/42/437436542.db2.gz DNVXGYGJUUEAQU-IRXDYDNUSA-N 0 0 348.443 0.980 10 0 ECAERN COC(=O)[C@@H](NC[C@@H](O)CN1CCCC1=O)c1ccc(F)c(C)c1 ZINC000185780829 437450417 /nfs/dbraw/zinc/45/04/17/437450417.db2.gz GQNRTAWIRNUSTI-CJNGLKHVSA-N 0 0 338.379 0.921 10 0 ECAERN Nc1ncc(Cl)cc1S(=O)(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000186176188 437462324 /nfs/dbraw/zinc/46/23/24/437462324.db2.gz AYKYNYSEUFEIGS-UHFFFAOYSA-N 0 0 344.824 0.606 10 0 ECAERN Cc1c(NC(=O)C(=O)N2C[C@H](CO)[C@H](c3ccsc3)C2)cnn1C ZINC000186297441 437468257 /nfs/dbraw/zinc/46/82/57/437468257.db2.gz JRSWWFGFWQFACB-OLZOCXBDSA-N 0 0 348.428 0.963 10 0 ECAERN COCC(=O)NC1CN(C(=O)c2ccc(C(F)(F)F)cc2O)C1 ZINC000186316323 437469189 /nfs/dbraw/zinc/46/91/89/437469189.db2.gz AMJIYORHCPLWRO-UHFFFAOYSA-N 0 0 332.278 0.998 10 0 ECAERN Cc1noc(C2CC2)c1NC(=O)C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000187977348 437519723 /nfs/dbraw/zinc/51/97/23/437519723.db2.gz MCOXFLSRMWRVIC-UHFFFAOYSA-N 0 0 332.360 0.536 10 0 ECAERN O=C([C@H]1CC(c2cccnc2)=NO1)N1CC[C@@H](N2CCOCC2)C1 ZINC000188237131 437535969 /nfs/dbraw/zinc/53/59/69/437535969.db2.gz VJDDWFCZPSBRJO-GDBMZVCRSA-N 0 0 330.388 0.508 10 0 ECAERN Cc1cn2c(ncc(C(=O)N3CC(NC(=O)C4CCC4)C3)c2=O)s1 ZINC000188550484 437558051 /nfs/dbraw/zinc/55/80/51/437558051.db2.gz VQTVQIQHTUTRPO-UHFFFAOYSA-N 0 0 346.412 0.805 10 0 ECAERN NC(=O)c1cccc(CCNC(=O)N2CC(NC(=O)C3CCC3)C2)c1 ZINC000188836565 437573840 /nfs/dbraw/zinc/57/38/40/437573840.db2.gz UNIRGEUIXNUXDY-UHFFFAOYSA-N 0 0 344.415 0.638 10 0 ECAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188889578 437576059 /nfs/dbraw/zinc/57/60/59/437576059.db2.gz VUOIMENTDRFARD-CYBMUJFWSA-N 0 0 332.408 0.732 10 0 ECAERN CC(C)(C)n1nccc1NC(=O)NC[C@@H](O)CN1CCOCC1 ZINC000190609495 437634216 /nfs/dbraw/zinc/63/42/16/437634216.db2.gz WOUQEPSVMCEJJX-GFCCVEGCSA-N 0 0 325.413 0.453 10 0 ECAERN CC(C)c1cnc(NC(=O)C(=O)N2CC(NC(=O)C3CC3)C2)s1 ZINC000190853085 437641714 /nfs/dbraw/zinc/64/17/14/437641714.db2.gz LKNXMGBOAINMGX-UHFFFAOYSA-N 0 0 336.417 0.942 10 0 ECAERN O=S(=O)(CCCc1nc(-c2ccccc2)no1)C[C@@H](O)CO ZINC000191053158 437643833 /nfs/dbraw/zinc/64/38/33/437643833.db2.gz CHZJIJQKCQFQGK-LBPRGKRZSA-N 0 0 326.374 0.437 10 0 ECAERN Cc1cnn(CCNC(=O)C(=O)Nc2ccc3c(c2)CC(=O)N3C)c1 ZINC000192973933 437698306 /nfs/dbraw/zinc/69/83/06/437698306.db2.gz RWEGTTGKMPJXJE-UHFFFAOYSA-N 0 0 341.371 0.465 10 0 ECAERN Cc1cc(C)nc(NC(=O)C(=O)N2CCN(C[C@@H](C)O)[C@H](C)C2)c1 ZINC000193471200 437708817 /nfs/dbraw/zinc/70/88/17/437708817.db2.gz HVXKZXBGGSLXCQ-ZIAGYGMSSA-N 0 0 334.420 0.550 10 0 ECAERN Cn1ccnc1[C@@H]1CN(C(=O)N[C@@H]2CCc3n[nH]cc3C2)CCN1C ZINC000369668165 438502480 /nfs/dbraw/zinc/50/24/80/438502480.db2.gz XSXUQDUGOXXLTB-HIFRSBDPSA-N 0 0 343.435 0.699 10 0 ECAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1 ZINC000370275860 438567028 /nfs/dbraw/zinc/56/70/28/438567028.db2.gz RGFURQCBYHUVAT-FOUMNBMASA-N 0 0 332.408 0.730 10 0 ECAERN CCOC(=O)c1cccc([C@H]2COCCCN2S(N)(=O)=O)c1 ZINC000616647026 439820647 /nfs/dbraw/zinc/82/06/47/439820647.db2.gz FMYOSBRIHAURCU-CYBMUJFWSA-N 0 0 328.390 0.830 10 0 ECAERN CCOC(=O)c1cccc([C@@H]2CCN(S(N)(=O)=O)CCO2)c1 ZINC000616666180 439820696 /nfs/dbraw/zinc/82/06/96/439820696.db2.gz HSYWYXSNGCBARB-ZDUSSCGKSA-N 0 0 328.390 0.830 10 0 ECAERN COC[C@]1(C(N)=O)CCCN1C(=O)c1ccc2c(c1)CCC(=O)N2C ZINC000643940533 440384848 /nfs/dbraw/zinc/38/48/48/440384848.db2.gz KJTCBDIZSNJJDM-SFHVURJKSA-N 0 0 345.399 0.702 10 0 ECAERN O=C(CCNC(=O)c1ccsc1)N1CC(NC(=O)C2CCC2)C1 ZINC000188471638 320538646 /nfs/dbraw/zinc/53/86/46/320538646.db2.gz CYNHWQJJUMIGRC-UHFFFAOYSA-N 0 0 335.429 0.995 10 0 ECAERN Cn1cnc2cc(C(=O)N3CCOC[C@@H]3[C@H]3CCC[C@@H]3O)cnc21 ZINC000329076523 320751481 /nfs/dbraw/zinc/75/14/81/320751481.db2.gz CGYVSIPHVMQWKI-YUELXQCFSA-N 0 0 330.388 0.970 10 0 ECAERN O=C(CN1c2ccccc2CCCC1=O)N1CCN2CCOC[C@@H]2C1 ZINC000329469186 320773974 /nfs/dbraw/zinc/77/39/74/320773974.db2.gz XJCQQHBKWMTMHR-INIZCTEOSA-N 0 0 343.427 0.899 10 0 ECAERN O=C(c1cn([C@@H]2CCOC2)nn1)N1CCC[C@@](O)(C(F)(F)F)C1 ZINC000330051357 320802058 /nfs/dbraw/zinc/80/20/58/320802058.db2.gz NIGNSKOPTWKVJB-SKDRFNHKSA-N 0 0 334.298 0.769 10 0 ECAERN CC1(C)CN(C[C@H](O)CN2C(=O)c3ccccc3C2=O)C[C@H](CO)O1 ZINC000344558691 321156567 /nfs/dbraw/zinc/15/65/67/321156567.db2.gz YJXJJTRLVPNKPR-QWHCGFSZSA-N 0 0 348.399 0.115 10 0 ECAERN CCc1[nH]ccc1C(=O)N1C[C@H](C(N)=O)[C@@H](c2cnn(C)c2C)C1 ZINC000527581461 322012629 /nfs/dbraw/zinc/01/26/29/322012629.db2.gz YYEJXFSKMRALDO-KGLIPLIRSA-N 0 0 329.404 0.960 10 0 ECAERN COc1ccc2c(c1)OC[C@@H]2CC(=O)N1CC(N2CCNC2=O)C1 ZINC000565037095 322423053 /nfs/dbraw/zinc/42/30/53/322423053.db2.gz YVNBJDROGCKDDN-NSHDSACASA-N 0 0 331.372 0.797 10 0 ECAERN Cc1cc(NC(=O)C(=O)NC[C@H]2CN(C)CCO2)cnc1Cl ZINC000129545658 533934784 /nfs/dbraw/zinc/93/47/84/533934784.db2.gz MZCHABLZFUGSKU-NSHDSACASA-N 0 0 326.784 0.429 10 0 ECAERN C[C@H](CNC(=O)NC[C@@](C)(O)c1cccs1)N1CCOCC1 ZINC000153621682 534106967 /nfs/dbraw/zinc/10/69/67/534106967.db2.gz LECPSUPMORZLPI-IUODEOHRSA-N 0 0 327.450 0.976 10 0 ECAERN C[C@@H]1CN(C(=O)c2ccc(-c3ncn(C)n3)cc2)C[C@H](C(N)=O)O1 ZINC000184190877 534409172 /nfs/dbraw/zinc/40/91/72/534409172.db2.gz DIVWIFIDRCMJPP-ZWNOBZJWSA-N 0 0 329.360 0.197 10 0 ECAERN O=C(NC[C@H](O)CN1CCOCC1)c1cnc(-c2ccco2)s1 ZINC000179475695 534625634 /nfs/dbraw/zinc/62/56/34/534625634.db2.gz VKTTTZHRDFDURN-NSHDSACASA-N 0 0 337.401 0.826 10 0 ECAERN Cc1cnn(CCNC(=O)NCc2cccc(OCC(N)=O)c2)c1 ZINC000175041238 534745379 /nfs/dbraw/zinc/74/53/79/534745379.db2.gz SIMSCJDVJLSXLI-UHFFFAOYSA-N 0 0 331.376 0.555 10 0 ECAERN Cc1cnn(C[C@@H]2CN(C(=O)c3ccc4[nH]c(=O)[nH]c4c3)CCO2)c1 ZINC000171828069 534748372 /nfs/dbraw/zinc/74/83/72/534748372.db2.gz QRNYITCERVWSKT-ZDUSSCGKSA-N 0 0 341.371 0.902 10 0 ECAERN CC(=O)N1CCc2cc(C(=O)N3CC(NC(=O)C4CC4)C3)ccc21 ZINC000189452626 526668839 /nfs/dbraw/zinc/66/88/39/526668839.db2.gz XDWTZAOJCNDISN-UHFFFAOYSA-N 0 0 327.384 0.946 10 0 ECAERN CC(=O)NC1CN(C(=O)C(=O)Nc2cc(C3CCCCC3)nn2C)C1 ZINC000191346048 526705647 /nfs/dbraw/zinc/70/56/47/526705647.db2.gz NEWPAQBUWQSKEI-UHFFFAOYSA-N 0 0 347.419 0.753 10 0 ECAERN CC(=O)NC1CN(C(=O)[C@H]2CCc3[nH]nc(C(F)(F)F)c3C2)C1 ZINC000191480187 526712953 /nfs/dbraw/zinc/71/29/53/526712953.db2.gz VNNWAJWUXAJVHM-QMMMGPOBSA-N 0 0 330.310 0.880 10 0 ECAERN CCC(=O)N1CC[C@@H](NC(=O)N2CCO[C@H](Cn3cc(C)cn3)C2)C1 ZINC000135158696 528348031 /nfs/dbraw/zinc/34/80/31/528348031.db2.gz VGNIBJXOTUBONZ-CABCVRRESA-N 0 0 349.435 0.613 10 0 ECAERN CCC(=O)N1CC[C@@H](NC(=O)N2CCO[C@H](c3cnn(CC)c3)C2)C1 ZINC000189591904 528348072 /nfs/dbraw/zinc/34/80/72/528348072.db2.gz DDQAGURYJGOHLC-CABCVRRESA-N 0 0 349.435 0.997 10 0 ECAERN CCOCCCNC(=O)N[C@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000174682558 528682079 /nfs/dbraw/zinc/68/20/79/528682079.db2.gz LSVNKJQCBMZIJO-ZDUSSCGKSA-N 0 0 337.424 0.950 10 0 ECAERN CC(C)[C@H](C)NC(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000174743957 528966012 /nfs/dbraw/zinc/96/60/12/528966012.db2.gz SUOOKOLJIBMKRJ-LBPRGKRZSA-N 0 0 344.437 0.876 10 0 ECAERN COCCN1CCN(CC(=O)NC(=O)Nc2ccccc2)C[C@H]1C ZINC000105832943 545739380 /nfs/dbraw/zinc/73/93/80/545739380.db2.gz OADHXSXZIMFMGO-CQSZACIVSA-N 0 0 334.420 0.987 10 0 ECAERN COCCN1CCN(CC(=O)NCc2ccccc2OC)C[C@@H]1C ZINC000105831993 545739932 /nfs/dbraw/zinc/73/99/32/545739932.db2.gz ZJVWEWJHZZTACD-HNNXBMFYSA-N 0 0 335.448 0.964 10 0 ECAERN CC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2cnn(CC3CC3)c2)C1 ZINC000177847527 545875301 /nfs/dbraw/zinc/87/53/01/545875301.db2.gz AHGQSOZJNPLAKD-ZDUSSCGKSA-N 0 0 333.392 0.359 10 0 ECAERN CNC(=O)[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(C)=O)C(C)C ZINC000178589414 545877978 /nfs/dbraw/zinc/87/79/78/545877978.db2.gz CKHACXMSSIUTQS-JKSUJKDBSA-N 0 0 331.416 0.847 10 0 ECAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N(C)C[C@H](O)C(F)(F)F ZINC000181544707 545886841 /nfs/dbraw/zinc/88/68/41/545886841.db2.gz RRZZNZBCCGWXRL-UWVGGRQHSA-N 0 0 346.371 0.572 10 0 ECAERN CCOc1cnc(C(=O)N2CCCN(Cc3noc(C)n3)CC2)cn1 ZINC000189407126 545905595 /nfs/dbraw/zinc/90/55/95/545905595.db2.gz VAJFWKCOXBNKIW-UHFFFAOYSA-N 0 0 346.391 0.915 10 0 ECAERN CC1(C)CN(CC(F)(F)F)CCN1C[C@@H](O)CN1CCCC1=O ZINC000245872505 545937309 /nfs/dbraw/zinc/93/73/09/545937309.db2.gz LQUZKVXHVACAAD-LBPRGKRZSA-N 0 0 337.386 0.928 10 0 ECAERN CCn1cc(O[C@@H]2CN(c3nc(C)nc(OC)c3C)C[C@H]2O)cn1 ZINC000624421239 546923696 /nfs/dbraw/zinc/92/36/96/546923696.db2.gz ZQQNLWAPGFBTHN-ZIAGYGMSSA-N 0 0 333.392 0.947 10 0 ECAERN CN(C)S(=O)(=O)c1ccc(C(=O)N2CCc3c(ncn3C)C2)cc1 ZINC000624507570 546932945 /nfs/dbraw/zinc/93/29/45/546932945.db2.gz ZLDPIHSPEIGKOL-UHFFFAOYSA-N 0 0 348.428 0.869 10 0 ECAERN O=S(=O)(N[C@H]1CCOC[C@H]1O)c1sccc1Br ZINC000625599017 547165628 /nfs/dbraw/zinc/16/56/28/547165628.db2.gz VUGRGSBBOUSWSS-JGVFFNPUSA-N 0 0 342.236 0.939 10 0 ECAERN O[C@]1(Cn2ccnn2)CCN(Cc2ncn(-c3ccccc3)n2)C1 ZINC000671553265 548181454 /nfs/dbraw/zinc/18/14/54/548181454.db2.gz MTGGFDBCQLOUIO-MRXNPFEDSA-N 0 0 325.376 0.496 10 0 ECAERN O=C(c1ccnn1-c1ccccc1)N1CC[C@@](O)(Cn2ccnn2)C1 ZINC000671606264 548203704 /nfs/dbraw/zinc/20/37/04/548203704.db2.gz YGSVAPRVDQPSPI-KRWDZBQOSA-N 0 0 338.371 0.741 10 0 ECAERN COc1cc2c(c3oc(=O)c4c(c13)CCOC4=O)[C@]1(O)C=CO[C@H]1O2 ZINC000013308683 571696747 /nfs/dbraw/zinc/69/67/47/571696747.db2.gz QSHBSBLCKIPCKO-DLBZAZTESA-N 0 0 344.275 0.965 10 0 endogenous,in-man ECAERN COCc1nn(CN2CCC[C@@H](Cn3nc(C)nc3C)C2)c(=O)o1 ZINC000119736853 586225171 /nfs/dbraw/zinc/22/51/71/586225171.db2.gz AUJKKLOZSDLBJM-CYBMUJFWSA-N 0 0 336.396 0.561 10 0 ECAERN COc1c(CN2CCC[C@@](O)(Cc3nc(C)no3)C2)c(C)nn1C ZINC000888076999 586245727 /nfs/dbraw/zinc/24/57/27/586245727.db2.gz BYTQRJJCBBMQGT-MRXNPFEDSA-N 0 0 335.408 0.998 10 0 ECAERN CNc1nc(C)cc(C(=O)N(C)[C@H]2COC[C@H]2Oc2cnn(C)c2)n1 ZINC000888078335 586246351 /nfs/dbraw/zinc/24/63/51/586246351.db2.gz KHVVFUHKGMPPBG-UONOGXRCSA-N 0 0 346.391 0.479 10 0 ECAERN CC[C@H]1CN(C(=O)c2cccn3nnnc23)C[C@@H]1N1CCOCC1 ZINC000896729827 586269988 /nfs/dbraw/zinc/26/99/88/586269988.db2.gz NZYKJYGJWKVXAY-JSGCOSHPSA-N 0 0 330.392 0.307 10 0 ECAERN Cn1nc(C[C@H]2CCCC[C@H]2NC(=O)c2ccncn2)n(C)c1=O ZINC000888099033 586349838 /nfs/dbraw/zinc/34/98/38/586349838.db2.gz PPTZJRSFEXSNRF-VXGBXAGGSA-N 0 0 330.392 0.440 10 0 ECAERN Cc1n[nH]cc1C(=O)NC[C@H]1CN(c2ncc(C)cn2)CCCO1 ZINC000888103263 586350613 /nfs/dbraw/zinc/35/06/13/586350613.db2.gz AZCUGFCFEYFWDQ-ZDUSSCGKSA-N 0 0 330.392 0.842 10 0 ECAERN Cc1nonc1CN1CCC[C@@]2(CC(=O)NN2C(=O)c2ccon2)C1 ZINC000888103389 586350707 /nfs/dbraw/zinc/35/07/07/586350707.db2.gz GBRABQSFOYZRFJ-OAHLLOKOSA-N 0 0 346.347 0.278 10 0 ECAERN O=C(C[C@@H]1NC(=O)c2ccccc21)N[C@H]1C[C@@H](O)[C@@H]1n1cccn1 ZINC000898447476 586424913 /nfs/dbraw/zinc/42/49/13/586424913.db2.gz ZJYITLWVDFFAIJ-TTZDDIAXSA-N 0 0 326.356 0.548 10 0 ECAERN Cc1cc(C)n(C[C@@H]2CN(S(=O)(=O)N(C)C(C)C)CCO2)n1 ZINC000111345220 589543156 /nfs/dbraw/zinc/54/31/56/589543156.db2.gz ORFKEXWWNJEZSZ-AWEZNQCLSA-N 0 0 330.454 0.786 10 0 ECAERN O=C(C[C@@H]1CS(=O)(=O)CCN1)N1CCC(C(F)(F)F)CC1 ZINC000126818663 590490081 /nfs/dbraw/zinc/49/00/81/590490081.db2.gz NMADXHKJZZUDJY-SNVBAGLBSA-N 0 0 328.356 0.564 10 0 ECAERN OCCOc1cncc(N2CCN(C[C@H](O)c3ccccc3)CC2)n1 ZINC000132428964 590640448 /nfs/dbraw/zinc/64/04/48/590640448.db2.gz OYOHCGPRYSXFCP-INIZCTEOSA-N 0 0 344.415 0.703 10 0 ECAERN O=C(/C=C/SCc1ccco1)NC[C@H](O)CN1CCOCC1 ZINC000132444475 590642876 /nfs/dbraw/zinc/64/28/76/590642876.db2.gz HLBFDGQPCIGRKE-FOWFJEMPSA-N 0 0 326.418 0.836 10 0 ECAERN Cn1ncc2c1nnn(CN1CCC(Cn3cccn3)CC1)c2=O ZINC000132659293 590655797 /nfs/dbraw/zinc/65/57/97/590655797.db2.gz MTOSFJZXKWFUSF-UHFFFAOYSA-N 0 0 328.380 0.091 10 0 ECAERN Cc1cc(C(=O)NC[C@H]2CCC(=O)N(C)[C@@H]2c2nccn2C)cnn1 ZINC000886026655 590786647 /nfs/dbraw/zinc/78/66/47/590786647.db2.gz BPHNYPAHHHDNLT-DOMZBBRYSA-N 0 0 342.403 0.858 10 0 ECAERN CCN1CCO[C@@H](CNC(=O)c2ccc(C)nn2)[C@@H]1c1nccn1C ZINC000886027287 590786831 /nfs/dbraw/zinc/78/68/31/590786831.db2.gz RURJMHNBVBSNJD-LSDHHAIUSA-N 0 0 344.419 0.710 10 0 ECAERN Cn1nccc1[C@H]1[C@H](CNC(=O)c2cc(C3CC3)n[nH]2)OCCN1C ZINC000886027331 590787068 /nfs/dbraw/zinc/78/70/68/590787068.db2.gz SQBIUVFGBIUKPS-HOTGVXAUSA-N 0 0 344.419 0.822 10 0 ECAERN Cn1cnnc1C[C@]1(O)CCCN(c2cncc(-n3cccn3)n2)C1 ZINC000886065820 590790091 /nfs/dbraw/zinc/79/00/91/590790091.db2.gz XPVPCYCXBCGOBM-MRXNPFEDSA-N 0 0 340.391 0.365 10 0 ECAERN Cc1ncc(CNC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cnn(C)c2C)o1 ZINC000886077602 590790637 /nfs/dbraw/zinc/79/06/37/590790637.db2.gz BSDPMVPADNPEDP-WFASDCNBSA-N 0 0 331.376 0.861 10 0 ECAERN O=C([O-])[C@@]1([NH+]2CCN(C(=O)CCc3ccccn3)CC2)CCOC1 ZINC000886077569 590790639 /nfs/dbraw/zinc/79/06/39/590790639.db2.gz KPMFXCGIBFTLEA-QGZVFWFLSA-N 0 0 333.388 0.402 10 0 ECAERN Cc1cnn(CCNC(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2nccn2C)c1 ZINC000886075634 590790660 /nfs/dbraw/zinc/79/06/60/590790660.db2.gz RAELBSSEVYLVKA-ZFWWWQNUSA-N 0 0 344.419 0.651 10 0 ECAERN Cc1ccccc1CC(=O)N1CCN([C@@]2(C(N)=O)CCOC2)CC1 ZINC000886077826 590791646 /nfs/dbraw/zinc/79/16/46/590791646.db2.gz PXHPSYXNKDCHCT-SFHVURJKSA-N 0 0 331.416 0.326 10 0 ECAERN O=C(CN1CCCC[C@H](O)C1=O)NCc1ncc(C(F)(F)F)cn1 ZINC000886078448 590791737 /nfs/dbraw/zinc/79/17/37/590791737.db2.gz RPXLZCIABRLZMD-JTQLQIEISA-N 0 0 346.309 0.485 10 0 ECAERN Cc1nccn1CC(=O)NC[C@@H]1OCCN(C)[C@H]1c1ccnn1C ZINC000886079441 590791951 /nfs/dbraw/zinc/79/19/51/590791951.db2.gz ALRPGTNLDGAMBE-HOCLYGCPSA-N 0 0 332.408 0.113 10 0 ECAERN CC(C)n1[nH]cnc1=NC(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1nccn1C ZINC000886077765 590792034 /nfs/dbraw/zinc/79/20/34/590792034.db2.gz ICPQBJAQPATQPD-AAEUAGOBSA-N 0 0 345.407 0.563 10 0 ECAERN Cc1noc(C[C@@]2(O)CCCN(C(=O)Cc3cn(C)nc3C)C2)n1 ZINC000886088299 590793486 /nfs/dbraw/zinc/79/34/86/590793486.db2.gz GJMVPSNYLYFNFX-INIZCTEOSA-N 0 0 333.392 0.559 10 0 ECAERN CO[C@@H]1CN(C(=O)c2n[nH]c3ccccc32)C[C@H]1c1cn(C)nn1 ZINC000886085060 590793955 /nfs/dbraw/zinc/79/39/55/590793955.db2.gz YFQQGILGPGPTMC-SMDDNHRTSA-N 0 0 326.360 0.946 10 0 ECAERN NC(=O)[C@@]1(N2CCN(C(=O)c3ccncc3Cl)CC2)CCOC1 ZINC000886096622 590795300 /nfs/dbraw/zinc/79/53/00/590795300.db2.gz MOGPXIYYTYDSEI-OAHLLOKOSA-N 0 0 338.795 0.137 10 0 ECAERN O=C(N[C@@H]1C[C@@H](O)C12CCOCC2)c1ccccc1Cn1ccnn1 ZINC000886992575 590914356 /nfs/dbraw/zinc/91/43/56/590914356.db2.gz RQGWVNANOYULIQ-HZPDHXFCSA-N 0 0 342.399 0.986 10 0 ECAERN Cc1n[nH]c(C(=O)N[C@@H]2C[C@H](O)[C@H]2n2cccn2)c1Br ZINC000828615087 591169120 /nfs/dbraw/zinc/16/91/20/591169120.db2.gz KXORSBIEBWZZHZ-FYBVGQRMSA-N 0 0 340.181 0.781 10 0 ECAERN C[C@@H](CNC(=O)c1cnn(-c2ccc(F)cc2)n1)N1CCOCC1 ZINC000155915625 611442095 /nfs/dbraw/zinc/44/20/95/611442095.db2.gz NTIBQBCXVJGHLJ-LBPRGKRZSA-N 0 0 333.367 0.857 10 0 ECAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)N(C)CCS(C)(=O)=O)CC2 ZINC000161571802 608865347 /nfs/dbraw/zinc/86/53/47/608865347.db2.gz GJIRJRJHDFTXLY-LLVKDONJSA-N 0 0 343.453 0.402 10 0 ECAERN CNC(=O)c1[nH]nc2c1[C@@H](c1cnn3c1nc(C)cc3C)CC(=O)N2 ZINC000067714651 609423867 /nfs/dbraw/zinc/42/38/67/609423867.db2.gz BFOXLIODAMZRSU-SECBINFHSA-N 0 0 339.359 0.903 10 0 ECAERN Cc1cc(C(F)(F)F)nn1CC(=O)N[C@@H]1C[C@@H](O)[C@H]1n1cccn1 ZINC000909188416 609680870 /nfs/dbraw/zinc/68/08/70/609680870.db2.gz WFCCSIHIIVIKSI-BREBYQMCSA-N 0 0 343.309 0.898 10 0 ECAERN O=C(N[C@@H]1C[C@H](O)[C@H]1n1cccn1)c1cnc(C(F)(F)F)nc1 ZINC000909182498 609681579 /nfs/dbraw/zinc/68/15/79/609681579.db2.gz YHSUOLQSOVKBSH-UTLUCORTSA-N 0 0 327.266 0.796 10 0 ECAERN CC1(C)CN(CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)CCS1(=O)=O ZINC000151422053 609682329 /nfs/dbraw/zinc/68/23/29/609682329.db2.gz NYMYPANSUOTCTD-RYUDHWBXSA-N 0 0 326.418 0.404 10 0 ECAERN O=C(c1cnc2nsnc2c1)N1CCN(c2ncccn2)CC1 ZINC000222610793 609702066 /nfs/dbraw/zinc/70/20/66/609702066.db2.gz UGIQJEFIXAPSKA-UHFFFAOYSA-N 0 0 327.373 0.839 10 0 ECAERN COC(=O)CNC(=O)[C@H]1CCC(=O)N1Cc1ccc2c(c1)OCO2 ZINC000223361401 609710282 /nfs/dbraw/zinc/71/02/82/609710282.db2.gz GQLLQSZMNQXBIB-LLVKDONJSA-N 0 0 334.328 0.196 10 0 ECAERN COc1cc(=O)n(-c2ccccc2C)nc1C(=O)N1CCN(C)CC1 ZINC000056932016 609713584 /nfs/dbraw/zinc/71/35/84/609713584.db2.gz ZTSASTIZWPNVKV-UHFFFAOYSA-N 0 0 342.399 0.937 10 0 ECAERN Cc1nc2c(c(N(C)[C@@H]3CCS(=O)(=O)C3)n1)NC(=O)[C@@H](C)N2 ZINC000224019833 609716462 /nfs/dbraw/zinc/71/64/62/609716462.db2.gz WEQREQYGTGGRLI-VXNVDRBHSA-N 0 0 325.394 0.161 10 0 ECAERN C[C@](O)(CN1CCN(C(=O)C(=O)NC2CC2)CC1)c1ccccc1 ZINC000170777039 609752315 /nfs/dbraw/zinc/75/23/15/609752315.db2.gz UJIIHTIXXQYNJG-SFHVURJKSA-N 0 0 331.416 0.317 10 0 ECAERN O=c1n(CN2CCO[C@H](c3nccs3)C2)nnn1-c1ccccc1 ZINC000152226489 609840319 /nfs/dbraw/zinc/84/03/19/609840319.db2.gz HOWLXSZRPPVHHU-ZDUSSCGKSA-N 0 0 344.400 0.917 10 0 ECAERN CNC(=O)C[C@]1(O)CCCN(C(=O)c2ccc(CO)cc2OC)C1 ZINC000911345839 609859793 /nfs/dbraw/zinc/85/97/93/609859793.db2.gz OUXYPGSEKMNPBP-QGZVFWFLSA-N 0 0 336.388 0.291 10 0 ECAERN CCN1C(=O)CN(CN2CCO[C@@H](Cn3nc(C)cc3C)C2)C1=O ZINC000152867715 609884384 /nfs/dbraw/zinc/88/43/84/609884384.db2.gz SBNFZYSFIDLGOV-CQSZACIVSA-N 0 0 335.408 0.442 10 0 ECAERN O=C(COc1ccc2c(c1)CCC2)NC[C@@H](O)CN1CCOCC1 ZINC000154159904 609948409 /nfs/dbraw/zinc/94/84/09/609948409.db2.gz RJGXFIBRGHGHQF-MRXNPFEDSA-N 0 0 334.416 0.363 10 0 ECAERN Cc1nc2cc(F)c(F)cc2n1CC(=O)N1CCOC[C@H]1CO ZINC000912415720 609956632 /nfs/dbraw/zinc/95/66/32/609956632.db2.gz IEMGLGRYTJNYMC-SNVBAGLBSA-N 0 0 325.315 0.843 10 0 ECAERN Cc1cc(S(C)(=O)=O)cc(C(=O)N2CCOC[C@@H]2CO)c1C ZINC000912418442 609956840 /nfs/dbraw/zinc/95/68/40/609956840.db2.gz NOEMAPULDUCMCZ-LBPRGKRZSA-N 0 0 327.402 0.540 10 0 ECAERN COc1ccc(C)cc1N1C[C@@H](C(=O)N2CCOC[C@@H]2CO)CC1=O ZINC000912426016 609958018 /nfs/dbraw/zinc/95/80/18/609958018.db2.gz AIUAZPKIZLYRRQ-KBPBESRZSA-N 0 0 348.399 0.576 10 0 ECAERN CN(C(=O)C[C@@]1(O)CCC[N@H+](Cc2ccccc2)C1)c1nnn[n-]1 ZINC000912618255 609975108 /nfs/dbraw/zinc/97/51/08/609975108.db2.gz YXJKLZYRXNUCME-INIZCTEOSA-N 0 0 330.392 0.580 10 0 ECAERN O=C(N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)c1cccc(F)n1 ZINC000180737455 610056880 /nfs/dbraw/zinc/05/68/80/610056880.db2.gz BEKTXHPWBLFIEV-TZMCWYRMSA-N 0 0 335.291 0.953 10 0 ECAERN C[NH2+][C@](Cn1cc(I)cn1)(C(=O)[O-])C1CC1 ZINC000070678482 610461498 /nfs/dbraw/zinc/46/14/98/610461498.db2.gz IVQOORKRRGFHNK-JTQLQIEISA-N 0 0 335.145 0.941 10 0 ECAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N1CCO[C@H](C(F)F)C1 ZINC000194164630 612138623 /nfs/dbraw/zinc/13/86/23/612138623.db2.gz UCWVJEIRHPNCBX-QWRGUYRKSA-N 0 0 340.392 0.683 10 0 ECAERN Cc1cnn(C[C@@H]2CN(CN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)CCO2)c1 ZINC000246551197 612838978 /nfs/dbraw/zinc/83/89/78/612838978.db2.gz CVRJQQBGUMWXCD-JYJNAYRXSA-N 0 0 344.415 0.801 10 0 ECAERN Cn1cc([C@@]2(C)CN([C@H]3CCN(C4CCOCC4)C3=O)CCO2)cn1 ZINC000328682255 740278749 /nfs/dbraw/zinc/27/87/49/740278749.db2.gz VMXVHXKPKXQVCZ-FUHWJXTLSA-N 0 0 348.447 0.747 10 0 ECAERN CN1CCO[C@@H](C(=O)N2CC[C@@](O)(Cc3ccc(F)cc3)C2)C1=O ZINC000911192318 760234048 /nfs/dbraw/zinc/23/40/48/760234048.db2.gz WPMQNUOLZTWEEE-RHSMWYFYSA-N 0 0 336.363 0.189 10 0 ECAERN Cc1cnn([C@H]2CCCN(C(=O)C(=O)Nc3cccn(C)c3=O)C2)c1 ZINC000125593427 222582381 /nfs/dbraw/zinc/58/23/81/222582381.db2.gz AFFJYUWIXMDFKU-ZDUSSCGKSA-N 0 0 343.387 0.692 10 0 ECAERN O=C(NC[C@H](O)CN1CCOCC1)c1cc2ccccc2cc1O ZINC000154105210 295677140 /nfs/dbraw/zinc/67/71/40/295677140.db2.gz HEKQPUGOHCCYPI-HNNXBMFYSA-N 0 0 330.384 0.968 10 0 ECAERN CN1CCO[C@@H](CNC(=O)Nc2ccnn2Cc2ccccn2)C1 ZINC000181131213 529783584 /nfs/dbraw/zinc/78/35/84/529783584.db2.gz USEURRNCXMDTOM-AWEZNQCLSA-N 0 0 330.392 0.779 10 0 ECAERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1ccc2ccn(C)c2c1 ZINC000178396608 529901553 /nfs/dbraw/zinc/90/15/53/529901553.db2.gz PGWPEGYNQYWGBC-ZDUSSCGKSA-N 0 0 328.372 0.854 10 0 ECAERN CNS(=O)(=O)c1cc(C(=O)N2CCC[C@@H](n3cncn3)C2)co1 ZINC000131176682 530024980 /nfs/dbraw/zinc/02/49/80/530024980.db2.gz WTZFPCQSNZPNIS-LLVKDONJSA-N 0 0 339.377 0.257 10 0 ECAERN Cc1nc(S(=O)(=O)N2CCC(N3CCO[C@H](C)C3)CC2)cn1C ZINC000066100718 215009805 /nfs/dbraw/zinc/00/98/05/215009805.db2.gz FKNCPTHGHZYVBJ-GFCCVEGCSA-N 0 0 342.465 0.602 10 0 ECAERN COc1cccc(C(=O)N[C@]2(C(F)(F)F)NC(=O)N(C)C2=O)c1 ZINC000003622962 210069201 /nfs/dbraw/zinc/06/92/01/210069201.db2.gz CANUXSDVWJCKDO-LBPRGKRZSA-N 0 0 331.250 0.865 10 0 ECAERN CCOC(=O)CCCN1CCN(c2cc(C)nc3ncnn32)CC1 ZINC000102397057 219200262 /nfs/dbraw/zinc/20/02/62/219200262.db2.gz PGUXQDLCTYRPMD-UHFFFAOYSA-N 0 0 332.408 0.898 10 0 ECAERN COC[C@H](C)C(=O)N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000103428706 219298547 /nfs/dbraw/zinc/29/85/47/219298547.db2.gz IGOYEUKALDSPEB-JYJNAYRXSA-N 0 0 339.480 0.918 10 0 ECAERN Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)NC[C@@H](C)N1CCOCC1 ZINC000104033275 219341207 /nfs/dbraw/zinc/34/12/07/219341207.db2.gz ZTORDZODJRCREB-LLVKDONJSA-N 0 0 347.419 0.019 10 0 ECAERN CS(=O)(=O)N1CCC(C(=O)N2CCO[C@@H]3CCCC[C@H]32)CC1 ZINC000041117337 213418090 /nfs/dbraw/zinc/41/80/90/213418090.db2.gz XFDUYPLRQMTWRT-ZIAGYGMSSA-N 0 0 330.450 0.828 10 0 ECAERN Cc1cc(C(=O)N2CCOC[C@H]2C(N)=O)nn1-c1ccc(F)cc1 ZINC000181026174 234064546 /nfs/dbraw/zinc/06/45/46/234064546.db2.gz YBWAVDFLALTIRG-AWEZNQCLSA-N 0 0 332.335 0.646 10 0 ECAERN CNC(=O)CC(=O)NC[C@@H](c1cccs1)N1CCO[C@H](C)C1 ZINC000187668468 290365946 /nfs/dbraw/zinc/36/59/46/290365946.db2.gz AQFSIYHZBCRSTK-NEPJUHHUSA-N 0 0 325.434 0.762 10 0 ECAERN Cn1cc(NC(=O)C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)ccc1=O ZINC000183135713 234915499 /nfs/dbraw/zinc/91/54/99/234915499.db2.gz YFGXFLUGHCEFFE-SJKOYZFVSA-N 0 0 333.388 0.477 10 0 ECAERN C[C@@H](NC(=O)c1ccoc1)C(=O)N1CCCN(c2cccnn2)CC1 ZINC000105811173 219536467 /nfs/dbraw/zinc/53/64/67/219536467.db2.gz ACTGZSXHULNNRX-CYBMUJFWSA-N 0 0 343.387 0.927 10 0 ECAERN COC(=O)CNC(=O)CN1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000195513587 291088236 /nfs/dbraw/zinc/08/82/36/291088236.db2.gz MZAREYBCNWBYLF-GFCCVEGCSA-N 0 0 335.408 0.431 10 0 ECAERN COCC(=O)NC1CN(C(=O)c2c(Cl)n(C)nc2C(C)C)C1 ZINC000185278133 235632159 /nfs/dbraw/zinc/63/21/59/235632159.db2.gz VTTPPZPQXLHYLR-UHFFFAOYSA-N 0 0 328.800 0.784 10 0 ECAERN CS(=O)(=O)NCc1nnc(C(=O)Nc2ccc(F)cc2)s1 ZINC000035511992 213034851 /nfs/dbraw/zinc/03/48/51/213034851.db2.gz PSBJREDEEURYJW-UHFFFAOYSA-N 0 0 330.366 0.979 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)C(=O)NCCCc2ccccc2)CC1 ZINC000106403309 219640179 /nfs/dbraw/zinc/64/01/79/219640179.db2.gz VRZMUISXYKNZGM-KRWDZBQOSA-N 0 0 347.459 0.651 10 0 ECAERN CCn1cc([C@H]2CN(C(=O)NCC(=O)NCC3CC3)CCO2)cn1 ZINC000189805505 237271327 /nfs/dbraw/zinc/27/13/27/237271327.db2.gz RNASYWMCPDSGAA-CQSZACIVSA-N 0 0 335.408 0.512 10 0 ECAERN CC(=O)OCCOCn1cc(C=CBr)c(=O)[nH]c1=O ZINC000029310012 212661043 /nfs/dbraw/zinc/66/10/43/212661043.db2.gz YBDRIKJGEROSDJ-NSCUHMNNSA-N 0 0 333.138 0.439 10 0 ECAERN CCOCc1nc2c(c(N[C@H](C)c3n[nH]c(=O)[n-]3)n1)CC[NH2+]CC2 ZINC000072409069 216201402 /nfs/dbraw/zinc/20/14/02/216201402.db2.gz YMBZPTOGWXVXPE-SECBINFHSA-N 0 0 333.396 0.286 10 0 ECAERN CCn1cc(C(=O)C(=O)N2CCCN(c3cccnn3)CC2)cn1 ZINC000130642003 223166367 /nfs/dbraw/zinc/16/63/67/223166367.db2.gz BWNXGNYGMGAHNP-UHFFFAOYSA-N 0 0 328.376 0.615 10 0 ECAERN O=C(Cn1ncc(=O)c2ccccc21)N1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000132030732 223293179 /nfs/dbraw/zinc/29/31/79/223293179.db2.gz BJXSWUCQOSJXDY-ZFWWWQNUSA-N 0 0 340.383 0.666 10 0 ECAERN O=S(=O)(N1CCOCC1)N1CCc2[nH]nc(-c3ccco3)c2C1 ZINC000023506707 212380869 /nfs/dbraw/zinc/38/08/69/212380869.db2.gz WKYRCFWNTGONMX-UHFFFAOYSA-N 0 0 338.389 0.605 10 0 ECAERN C[C@]1(C(=O)N[C@H]2CCc3ncnn3C2)Cc2ccccc2C(=O)O1 ZINC000112655452 291370452 /nfs/dbraw/zinc/37/04/52/291370452.db2.gz AWLPJBAMBPIPOQ-YVEFUNNKSA-N 0 0 326.356 0.881 10 0 ECAERN CC(=O)Nc1ccc(S(=O)(=O)NCCc2nnc(N)s2)cc1 ZINC000020201351 212110714 /nfs/dbraw/zinc/11/07/14/212110714.db2.gz LBVJVKZTWJOEFX-UHFFFAOYSA-N 0 0 341.418 0.600 10 0 ECAERN O=C(NC[C@H]1CCCC[C@H]1O)C(=O)Nc1cccnc1-n1cccn1 ZINC000077937445 217003026 /nfs/dbraw/zinc/00/30/26/217003026.db2.gz DLOGJRIUCUTDOC-TZMCWYRMSA-N 0 0 343.387 0.873 10 0 ECAERN Cn1cc(C2CCN(c3ncc(S(N)(=O)=O)s3)CC2)cn1 ZINC000110413586 220035523 /nfs/dbraw/zinc/03/55/23/220035523.db2.gz HRYPRSQMKCCMGP-UHFFFAOYSA-N 0 0 327.435 0.908 10 0 ECAERN O=C(c1cc(N2CCNC(=O)C2)ccn1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000189908827 296182934 /nfs/dbraw/zinc/18/29/34/296182934.db2.gz PVAJPKXEEUNPMB-JKSUJKDBSA-N 0 0 344.415 0.801 10 0 ECAERN Cc1cnn(C[C@H]2CN(C(=O)NCCCn3ccnc3)CCO2)c1 ZINC000171914890 227360522 /nfs/dbraw/zinc/36/05/22/227360522.db2.gz HMYWFJSJGITWRE-OAHLLOKOSA-N 0 0 332.408 0.889 10 0 ECAERN O=C(NCCNC(=O)N1CCO[C@@H](Cn2cccn2)C1)c1ccco1 ZINC000111812592 220197057 /nfs/dbraw/zinc/19/70/57/220197057.db2.gz OHRYHSFKUMMVQS-CYBMUJFWSA-N 0 0 347.375 0.317 10 0 ECAERN Cc1cnn(C[C@@H]2CN(C(=O)CCCNC(=O)C3CC3)CCO2)c1 ZINC000112062835 220236275 /nfs/dbraw/zinc/23/62/75/220236275.db2.gz ZJRVMOLXFAAPIP-HNNXBMFYSA-N 0 0 334.420 0.725 10 0 ECAERN Cc1cnn(C[C@H]2CN(S(=O)(=O)c3cn(C)c(C)n3)CCO2)c1 ZINC000112094035 220240673 /nfs/dbraw/zinc/24/06/73/220240673.db2.gz RNGUAMDEZWZYNQ-ZDUSSCGKSA-N 0 0 339.421 0.323 10 0 ECAERN COc1cc2c(c3oc(=O)c4c(c13)CCOC4=O)[C@@]1(O)C=CO[C@@H]1O2 ZINC000013308681 211543255 /nfs/dbraw/zinc/54/32/55/211543255.db2.gz QSHBSBLCKIPCKO-SJORKVTESA-N 0 0 344.275 0.965 10 0 endogenous,in-man ECAERN Nc1ccc2ncn(Cc3ccc(S(N)(=O)=O)cc3)c(=O)c2c1 ZINC000011848681 211257976 /nfs/dbraw/zinc/25/79/76/211257976.db2.gz JAQHWVJGCUTJNY-UHFFFAOYSA-N 0 0 330.369 0.674 10 0 ECAERN CS(=O)(=O)NC[C@@H]1OC[C@@H]2CN(C(=O)c3ccccn3)CC[C@H]12 ZINC000096187318 218653918 /nfs/dbraw/zinc/65/39/18/218653918.db2.gz WVWFKAISRAMNEM-OBJOEFQTSA-N 0 0 339.417 0.108 10 0 ECAERN Cn1c2c(nc1C(=O)N1CCOCC1)CN(c1ncccn1)CC2 ZINC000096264876 218732507 /nfs/dbraw/zinc/73/25/07/218732507.db2.gz WMWRSGNVMGFVNH-UHFFFAOYSA-N 0 0 328.376 0.245 10 0 ECAERN CS(=O)(=O)[C@@H]1CCN(S(=O)(=O)CCOc2ccccc2)C1 ZINC000096369656 218746710 /nfs/dbraw/zinc/74/67/10/218746710.db2.gz PZUIQIPPNSJRIR-CYBMUJFWSA-N 0 0 333.431 0.514 10 0 ECAERN CNc1cc(N2CCC[C@H]2CNC(=O)NCC2(C)COC2)ncn1 ZINC000174884429 533051243 /nfs/dbraw/zinc/05/12/43/533051243.db2.gz KOKSVECRLVMXRA-LBPRGKRZSA-N 0 0 334.424 0.823 10 0 ECAERN C[C@@H](Cc1ccc(N(C)C)cc1)NC(=O)C1CCN(CC(N)=O)CC1 ZINC000097594749 219037252 /nfs/dbraw/zinc/03/72/52/219037252.db2.gz AEWADQGWRYVEFL-AWEZNQCLSA-N 0 0 346.475 0.997 10 0 ECAERN CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)N[C@H]1CCc2ncnn2C1 ZINC000112650279 220363827 /nfs/dbraw/zinc/36/38/27/220363827.db2.gz VXECRKIHHRHMPI-FZXKYSEESA-N 0 0 349.460 0.967 10 0 ECAERN COC(=O)[C@H](C)CS(=O)(=O)N1CCC(Cn2cccn2)CC1 ZINC000152042954 533181068 /nfs/dbraw/zinc/18/10/68/533181068.db2.gz FXHJWOLVABZTOV-GFCCVEGCSA-N 0 0 329.422 0.734 10 0 ECAERN Cn1cc([C@@H]2CCN(S(=O)(=O)c3ncn(C)c3Cl)C2)cn1 ZINC000116370232 220956483 /nfs/dbraw/zinc/95/64/83/220956483.db2.gz ACGXQIGUXDXWLG-SECBINFHSA-N 0 0 329.813 0.985 10 0 ECAERN Cc1cnn(CCNC(=O)C2=NN(c3ccccc3)[C@@H](C(N)=O)C2)c1 ZINC000117810708 221091651 /nfs/dbraw/zinc/09/16/51/221091651.db2.gz CNBLYBZWVCYVRS-OAHLLOKOSA-N 0 0 340.387 0.428 10 0 ECAERN COC[C@H](C)S(=O)(=O)N1CCO[C@H](Cn2nc(C)cc2C)C1 ZINC000117921263 221100062 /nfs/dbraw/zinc/10/00/62/221100062.db2.gz OVWFWHNJYRXHBK-KBPBESRZSA-N 0 0 331.438 0.565 10 0 ECAERN C[C@H](NC(=O)c1ccoc1)C(=O)N[C@@H]1CCCN(c2cccnn2)C1 ZINC000118668597 221166600 /nfs/dbraw/zinc/16/66/00/221166600.db2.gz QAXIBSQAHSRFEK-GXTWGEPZSA-N 0 0 343.387 0.973 10 0 ECAERN O=C(NC[C@@]12COC[C@@H]1CN(c1ncccn1)C2)c1ccnnc1 ZINC000247496536 257681686 /nfs/dbraw/zinc/68/16/86/257681686.db2.gz OJFQYBZZZAEVRZ-XJKSGUPXSA-N 0 0 326.360 0.149 10 0 ECAERN CS(=O)(=O)N1CC[C@@H]2O[C@H](C(=O)NCC3CCOCC3)CC[C@@H]21 ZINC000247502339 257681962 /nfs/dbraw/zinc/68/19/62/257681962.db2.gz FVZYTRHMHRZAPU-IHRRRGAJSA-N 0 0 346.449 0.111 10 0 ECAERN CC(C)C(=O)N1CCC(NC(=O)NC[C@H](C)N2CCOCC2)CC1 ZINC000048790599 296601118 /nfs/dbraw/zinc/60/11/18/296601118.db2.gz ZTYZLESTZBXJSR-AWEZNQCLSA-N 0 0 340.468 0.653 10 0 ECAERN Cc1cnn(C[C@@H]2CN(C(=O)[C@H]3CCCN(C(N)=O)C3)CCO2)c1 ZINC000112066693 296639509 /nfs/dbraw/zinc/63/95/09/296639509.db2.gz ZBJHFJAZYLYKAH-KBPBESRZSA-N 0 0 335.408 0.210 10 0 ECAERN O=C(Nc1ccn(Cc2ccccc2)n1)C(=O)N1CCC[C@H]1CO ZINC000120915440 296645974 /nfs/dbraw/zinc/64/59/74/296645974.db2.gz IIXVBPCHFNNWIR-AWEZNQCLSA-N 0 0 328.372 0.853 10 0 ECAERN C[C@H]1[C@H](O)CCCN1C(=O)Cn1cc(Br)ccc1=O ZINC000296249882 296810282 /nfs/dbraw/zinc/81/02/82/296810282.db2.gz XNHZSBINKVOHLR-GXSJLCMTSA-N 0 0 329.194 0.983 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)[C@@H](C)NC(=O)CC(C)(C)C)CC1 ZINC000189301979 286941648 /nfs/dbraw/zinc/94/16/48/286941648.db2.gz BAEKDDZTOXMPHJ-ZIAGYGMSSA-N 0 0 327.469 0.842 10 0 ECAERN COCCN(CC(F)F)C[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000171673721 164833925 /nfs/dbraw/zinc/83/39/25/164833925.db2.gz KLGKFEJZWVCNIC-NSHDSACASA-N 0 0 342.342 0.857 10 0 ECAERN Cn1nnnc1SCCC(=O)N1CCN(Cc2ccon2)CC1 ZINC000172805556 164849546 /nfs/dbraw/zinc/84/95/46/164849546.db2.gz PEUZJSVUPCOVLI-UHFFFAOYSA-N 0 0 337.409 0.025 10 0 ECAERN Cc1nnc([C@H]2CN(C(=O)c3ccc4[nH]c(=O)[nH]c4c3)CCO2)[nH]1 ZINC000173602208 164858935 /nfs/dbraw/zinc/85/89/35/164858935.db2.gz FOIZNIFLJULAOC-GFCCVEGCSA-N 0 0 328.332 0.496 10 0 ECAERN CC(C)c1nc([C@H]2CCCN2C(=O)[C@@H](C)NS(C)(=O)=O)no1 ZINC000173754042 164859964 /nfs/dbraw/zinc/85/99/64/164859964.db2.gz WZVFWVCOHPXHSS-NXEZZACHSA-N 0 0 330.410 0.794 10 0 ECAERN CCNC(=O)c1cccc(NC(=O)CN2CCCNC(=O)[C@H]2C)c1 ZINC000189285520 165007967 /nfs/dbraw/zinc/00/79/67/165007967.db2.gz QYYPGUAAUOKZNL-GFCCVEGCSA-N 0 0 332.404 0.585 10 0 ECAERN COCCc1cc(NC(=O)C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)n(C)n1 ZINC000190081711 165017545 /nfs/dbraw/zinc/01/75/45/165017545.db2.gz QMOBRMQFKGZVIW-GXTWGEPZSA-N 0 0 349.435 0.243 10 0 ECAERN O=C(NC1CN(C(=O)NCCCN2CCCCCC2=O)C1)C1CC1 ZINC000189983820 165018387 /nfs/dbraw/zinc/01/83/87/165018387.db2.gz NZNIQTXFBDFNBT-UHFFFAOYSA-N 0 0 336.436 0.699 10 0 ECAERN O=C(NC1CN(C(=O)NC[C@H]2CCN(CC(F)(F)F)C2)C1)C1CC1 ZINC000190271313 165019264 /nfs/dbraw/zinc/01/92/64/165019264.db2.gz NCMJTPRLPDAWGL-SNVBAGLBSA-N 0 0 348.369 0.791 10 0 ECAERN C[C@H]1C(=O)NCCCN1C(=O)C(=O)Nc1cc(F)c(F)c(F)c1 ZINC000190665585 165024689 /nfs/dbraw/zinc/02/46/89/165024689.db2.gz PUUOFXQARXMONE-ZETCQYMHSA-N 0 0 329.278 0.779 10 0 ECAERN CCN(C)C(=O)[C@H](C)NC(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000190797155 165026091 /nfs/dbraw/zinc/02/60/91/165026091.db2.gz JMMLWUNQCPENME-NWDGAFQWSA-N 0 0 336.440 0.882 10 0 ECAERN Cc1cc2ccccc2n1CC(=O)NC[C@H](O)CN1CCOCC1 ZINC000192710000 165046185 /nfs/dbraw/zinc/04/61/85/165046185.db2.gz CWOUIGBCJREAIZ-INIZCTEOSA-N 0 0 331.416 0.759 10 0 ECAERN CC(C)c1csc(NC(=O)C(=O)N2CC(NC(=O)C3CC3)C2)n1 ZINC000193482852 165055624 /nfs/dbraw/zinc/05/56/24/165055624.db2.gz ORZLGOCVKXRSHN-UHFFFAOYSA-N 0 0 336.417 0.942 10 0 ECAERN CNC(=O)CN1CCC(NC(=O)N[C@@H]2COc3ccccc32)CC1 ZINC000194689446 165069251 /nfs/dbraw/zinc/06/92/51/165069251.db2.gz XFYHDJQUDXERSO-CQSZACIVSA-N 0 0 332.404 0.630 10 0 ECAERN NC(=O)[C@@H]1COCCN1C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000245722694 165113895 /nfs/dbraw/zinc/11/38/95/165113895.db2.gz DMCKKOSOPHDBEK-PWSUYJOCSA-N 0 0 349.214 0.919 10 0 ECAERN CN1CCO[C@@H](CNC(=O)N[C@@H](CO)Cc2c[nH]c3ccccc23)C1 ZINC000246487921 165136360 /nfs/dbraw/zinc/13/63/60/165136360.db2.gz RZNNRAXFDGEMPI-CABCVRRESA-N 0 0 346.431 0.701 10 0 ECAERN CCOCCN1CCN([C@H]2CCCN(c3cnn(C)c3)C2=O)C[C@H]1C ZINC000246754705 165142638 /nfs/dbraw/zinc/14/26/38/165142638.db2.gz NLZUBXVIPWNBCY-WBVHZDCISA-N 0 0 349.479 0.958 10 0 ECAERN Cc1cnn(C[C@@H]2CN([C@H](C)c3nc(N)nc(N(C)C)n3)CCO2)c1 ZINC000246961642 165147309 /nfs/dbraw/zinc/14/73/09/165147309.db2.gz BRQMABRLVIFXGS-OLZOCXBDSA-N 0 0 346.439 0.487 10 0 ECAERN C[C@@H](NC(N)=O)C(=O)NC[C@H](c1cccs1)N1CCO[C@H](C)C1 ZINC000246983483 165149536 /nfs/dbraw/zinc/14/95/36/165149536.db2.gz QKRXPFGKVCUHAC-IJLUTSLNSA-N 0 0 340.449 0.683 10 0 ECAERN C[C@@H]1CN([C@@H](CNC(=O)[C@@H]2CNC(=O)C2)c2cccs2)CCO1 ZINC000246999587 165149960 /nfs/dbraw/zinc/14/99/60/165149960.db2.gz RBHKUOVGIWWQSM-AGIUHOORSA-N 0 0 337.445 0.762 10 0 ECAERN C[C@H](c1nc(N)nc(N(C)C)n1)N1CCC[C@@H](Cn2cncn2)C1 ZINC000247805111 165167527 /nfs/dbraw/zinc/16/75/27/165167527.db2.gz SIUYMCPQJVVXIS-VXGBXAGGSA-N 0 0 331.428 0.585 10 0 ECAERN C[C@H]1CN(S(=O)(=O)c2ccc(N)cc2)C[C@H]1N1CCOCC1 ZINC000248564208 165179038 /nfs/dbraw/zinc/17/90/38/165179038.db2.gz BJLGKFCMEGKQIJ-SWLSCSKDSA-N 0 0 325.434 0.610 10 0 ECAERN O=c1[nH]c2ccc(S(=O)(=O)N3CCN4CCCC[C@H]4C3)cc2[nH]1 ZINC000249771922 165204291 /nfs/dbraw/zinc/20/42/91/165204291.db2.gz UCRAYKOCDGTDMQ-NSHDSACASA-N 0 0 336.417 0.715 10 0 ECAERN NC(=O)[C@H]1CN(C[C@@H](O)COCc2ccc(Cl)cc2)CCO1 ZINC000250420853 165205069 /nfs/dbraw/zinc/20/50/69/165205069.db2.gz CLYJRJOWBAYFEV-ZIAGYGMSSA-N 0 0 328.796 0.404 10 0 ECAERN NCc1nc(CN2CCN(C(=O)Cc3ccccc3F)CC2)no1 ZINC000261708855 165231516 /nfs/dbraw/zinc/23/15/16/165231516.db2.gz KFGKKCHTNCDKSI-UHFFFAOYSA-N 0 0 333.367 0.554 10 0 ECAERN C[C@H]1OCCN[C@@H]1C(=O)N[C@@H]1CC(=O)N([C@H]2C[C@@H]2c2ccccc2)C1 ZINC000261878818 165257466 /nfs/dbraw/zinc/25/74/66/165257466.db2.gz FCHCCXHBENFSHN-PVWIJFIWSA-N 0 0 343.427 0.637 10 0 ECAERN NCc1nc(CN2CCN(C(=O)c3c(F)cccc3F)CC2)no1 ZINC000262251139 165316458 /nfs/dbraw/zinc/31/64/58/165316458.db2.gz PZTSKBIHNOQHPA-UHFFFAOYSA-N 0 0 337.330 0.765 10 0 ECAERN Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)[C@H]3NCCO[C@@H]3C)C2)n1 ZINC000262360598 165336474 /nfs/dbraw/zinc/33/64/74/165336474.db2.gz VEDZINKKJQXAJJ-FMKPAKJESA-N 0 0 346.431 0.944 10 0 ECAERN CCN1CCN(C(=O)Cc2ccc(NC(=O)[C@@H]([NH3+])COC)cc2)CC1 ZINC000262360547 165337090 /nfs/dbraw/zinc/33/70/90/165337090.db2.gz VMCWINQBUAKFJQ-INIZCTEOSA-N 0 0 348.447 0.305 10 0 ECAERN COc1ccsc1S(=O)(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000121917322 221971913 /nfs/dbraw/zinc/97/19/13/221971913.db2.gz KAIMYXJXQQGCSS-NSHDSACASA-N 0 0 332.447 0.852 10 0 ECAERN Cn1nccc1CN1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000122706622 222142216 /nfs/dbraw/zinc/14/22/16/222142216.db2.gz AJWFFVSHPFDUQO-QGZVFWFLSA-N 0 0 330.432 0.978 10 0 ECAERN Cc1cnn(C[C@@H]2CN(C(=O)NCCCC(=O)NC3CC3)CCO2)c1 ZINC000171840490 227311725 /nfs/dbraw/zinc/31/17/25/227311725.db2.gz OTNXMWLIONNBKG-HNNXBMFYSA-N 0 0 349.435 0.661 10 0 ECAERN Cn1c(CNC(=O)N[C@@H]2CCc3ncnn3C2)nc2ccccc21 ZINC000171866281 227325369 /nfs/dbraw/zinc/32/53/69/227325369.db2.gz ZCDOMIQBEQHQKU-LLVKDONJSA-N 0 0 325.376 0.979 10 0 ECAERN O=C(NC[C@@H]1CCCC[C@@H]1O)C(=O)Nc1ccc(-n2nccn2)cc1 ZINC000172664869 227829561 /nfs/dbraw/zinc/82/95/61/227829561.db2.gz ODMBPCNJTDYFLQ-WFASDCNBSA-N 0 0 343.387 0.873 10 0 ECAERN CC(C)[C@@H](O)CC(=O)N1CCN(Cc2ccc(C(N)=O)cc2)CC1 ZINC000178899685 263155442 /nfs/dbraw/zinc/15/54/42/263155442.db2.gz JHSWUIOJANABPX-INIZCTEOSA-N 0 0 333.432 0.837 10 0 ECAERN Cc1ccccc1C[C@@H](CO)NC(=O)NC[C@H](C)N1CCOCC1 ZINC000191939513 263165639 /nfs/dbraw/zinc/16/56/39/263165639.db2.gz IQUHFGXSYUKINT-RDJZCZTQSA-N 0 0 335.448 0.918 10 0 ECAERN C[C@H]1NC(=O)CC[C@@H]1NS(=O)(=O)c1cnn(Cc2ccccc2)c1 ZINC000282601038 264053039 /nfs/dbraw/zinc/05/30/39/264053039.db2.gz QSGOOHDJFNGBFF-DOMZBBRYSA-N 0 0 348.428 0.877 10 0 ECAERN CCOc1ccnc(N2CCN(CCN3CCO[C@H](C)C3)CC2)n1 ZINC000191485502 276384545 /nfs/dbraw/zinc/38/45/45/276384545.db2.gz IGGZUNHQDSOZDG-OAHLLOKOSA-N 0 0 335.452 0.718 10 0 ECAERN O=C(Cc1cccc(F)c1)NCC(=O)N1CC(NC(=O)C2CC2)C1 ZINC000189414322 437597651 /nfs/dbraw/zinc/59/76/51/437597651.db2.gz JWYFNJSDGODAHS-UHFFFAOYSA-N 0 0 333.363 0.221 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)c2ccccc2-n2cnnn2)C1 ZINC000262726674 279059434 /nfs/dbraw/zinc/05/94/34/279059434.db2.gz SVPFQGLIMQCEHQ-UHFFFAOYSA-N 0 0 344.375 0.330 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)C(=O)Nc2ncc(C)s2)CC1 ZINC000189456892 437601291 /nfs/dbraw/zinc/60/12/91/437601291.db2.gz VJSSDZBDRRQBMB-NSHDSACASA-N 0 0 326.422 0.305 10 0 ECAERN Cc1oc2ncn(C)c(=O)c2c1C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000189470397 437602227 /nfs/dbraw/zinc/60/22/27/437602227.db2.gz PCZBSUKEGQSKRC-UHFFFAOYSA-N 0 0 330.344 0.186 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)C(=O)Nc2c(F)cccc2F)CC1 ZINC000189475354 437602321 /nfs/dbraw/zinc/60/23/21/437602321.db2.gz PHAGPVXJBLLQQR-NSHDSACASA-N 0 0 341.358 0.818 10 0 ECAERN COC(=O)[C@@]1(C)CCCN1Cc1cnc(N2CCN(C)CC2)nc1 ZINC000189989251 437614192 /nfs/dbraw/zinc/61/41/92/437614192.db2.gz WYHKEWXWDICKSW-QGZVFWFLSA-N 0 0 333.436 0.756 10 0 ECAERN CN1CCN([C@H](C(=O)NC[C@H]2CN(C)CCO2)c2ccccc2)CC1 ZINC000104873910 290055874 /nfs/dbraw/zinc/05/58/74/290055874.db2.gz GXKNCWVVVDAQOS-ROUUACIJSA-N 0 0 346.475 0.422 10 0 ECAERN CN1CC[C@H](NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2ccc(F)cc2)C1=O ZINC000135438857 290211515 /nfs/dbraw/zinc/21/15/15/290211515.db2.gz XSXONWYNPPHQEI-KCQAQPDRSA-N 0 0 333.363 0.692 10 0 ECAERN NS(=O)(=O)[C@H]1C(I)=NC=C[C@H]1OC1CC1 ZINC000095734672 295286081 /nfs/dbraw/zinc/28/60/81/295286081.db2.gz BYNVUGOLRZHASP-RNFRBKRXSA-N 0 0 342.158 0.552 10 0 ECAERN O=C(Cc1noc(CN2CCCCCCC2=O)n1)N1CCOCC1 ZINC000333060167 297105329 /nfs/dbraw/zinc/10/53/29/297105329.db2.gz AYWCKAOFCQYTIZ-UHFFFAOYSA-N 0 0 336.392 0.764 10 0 ECAERN O=C1NCCN1C1CN(S(=O)(=O)c2cccc3ncccc32)C1 ZINC000333124659 297112388 /nfs/dbraw/zinc/11/23/88/297112388.db2.gz VUQFEBBRMVWIHB-UHFFFAOYSA-N 0 0 332.385 0.633 10 0 ECAERN CN(C)c1ccc(NC(=O)N2CCC[C@@H](N3CCNCC3=O)C2)nc1 ZINC000333199837 297117850 /nfs/dbraw/zinc/11/78/50/297117850.db2.gz XJNKDPJJWVBZPB-CQSZACIVSA-N 0 0 346.435 0.576 10 0 ECAERN O=C(CN1CN=NC1=O)N1CC[C@](O)(Cc2cccc(Cl)c2)C1 ZINC000333332308 297125913 /nfs/dbraw/zinc/12/59/13/297125913.db2.gz NDBJTEOKAAYWHW-HNNXBMFYSA-N 0 0 336.779 0.843 10 0 ECAERN CO[C@@H]1COC[C@H]1N1CCN(S(=O)(=O)c2c(C)noc2C)CC1 ZINC000333588567 297143256 /nfs/dbraw/zinc/14/32/56/297143256.db2.gz SHYFODDXXLLMFS-CHWSQXEVSA-N 0 0 345.421 0.012 10 0 ECAERN CC(C)(C)CC(=O)N1CCC[C@H]1C(=O)N1CCC[C@](O)(C(N)=O)C1 ZINC000367005250 300586454 /nfs/dbraw/zinc/58/64/54/300586454.db2.gz YQHNUTRJTHUXMZ-YVEFUNNKSA-N 0 0 339.436 0.252 10 0 ECAERN C[C@@H](NC(=O)[C@@H](C)NC(=O)c1ccco1)C(=O)NCc1ccco1 ZINC000072045368 436032481 /nfs/dbraw/zinc/03/24/81/436032481.db2.gz FGNUEFQMKIKHHP-GHMZBOCLSA-N 0 0 333.344 0.812 10 0 ECAERN CCN(CC)C(=O)CN1CCN(C(=O)N[C@@H](C)[C@H]2CCCO2)CC1 ZINC000073720315 436091359 /nfs/dbraw/zinc/09/13/59/436091359.db2.gz PTMPEBKKBNWPEI-LSDHHAIUSA-N 0 0 340.468 0.750 10 0 ECAERN CN1C[C@H](CNC(=O)CCN2C(=O)c3ccccc3C2=O)CC1=O ZINC000074863037 436142606 /nfs/dbraw/zinc/14/26/06/436142606.db2.gz CQEXGLDXXLNRPC-NSHDSACASA-N 0 0 329.356 0.267 10 0 ECAERN CN1C(=O)CO[C@H](C(=O)N2CCC[C@@](C)(O)C2)[C@H]1c1ccccc1 ZINC000373044879 301042808 /nfs/dbraw/zinc/04/28/08/301042808.db2.gz HOYIPAXWWGJYKT-SOLBZPMBSA-N 0 0 332.400 0.958 10 0 ECAERN Cc1cc(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000177207948 301148487 /nfs/dbraw/zinc/14/84/87/301148487.db2.gz SXPQRHFLANHYJY-JQWIXIFHSA-N 0 0 345.403 0.791 10 0 ECAERN NC(=O)[C@@]1(O)CCCN(C(=O)[C@H]2COc3ccc(Cl)cc3C2)C1 ZINC000375675272 301197350 /nfs/dbraw/zinc/19/73/50/301197350.db2.gz LKHMRXLCHUMMGR-BDJLRTHQSA-N 0 0 338.791 0.730 10 0 ECAERN Cc1cc(N2CCC[C@H](N[C@H](C)CS(C)(=O)=O)C2=O)n(C)n1 ZINC000182334119 301337929 /nfs/dbraw/zinc/33/79/29/301337929.db2.gz UIRYVVNRVCNTSS-NEPJUHHUSA-N 0 0 328.438 0.247 10 0 ECAERN COC(=O)CCN(C)S(=O)(=O)N[C@H](C)COCc1ccccc1 ZINC000390461080 301452529 /nfs/dbraw/zinc/45/25/29/301452529.db2.gz FUFOTIDETIOPDZ-CYBMUJFWSA-N 0 0 344.433 0.921 10 0 ECAERN C[C@H](CNC(=O)C(=O)Nc1ccc(F)cc1F)N1CCOCC1 ZINC000041600881 436279964 /nfs/dbraw/zinc/27/99/64/436279964.db2.gz KLBOYUGKAYUIBA-SNVBAGLBSA-N 0 0 327.331 0.740 10 0 ECAERN CC(=O)N[C@H]1CCCN(CC(=O)NCCOc2cccc(F)c2)C1 ZINC000080028827 436309337 /nfs/dbraw/zinc/30/93/37/436309337.db2.gz DJRAWKIFVAAHPF-HNNXBMFYSA-N 0 0 337.395 0.921 10 0 ECAERN CC[C@H](C)NC(=O)CN1CCN(C[C@H](O)COC(C)(C)C)CC1 ZINC000046054406 436384472 /nfs/dbraw/zinc/38/44/72/436384472.db2.gz YETVLVJXTHPHEI-GJZGRUSLSA-N 0 0 329.485 0.695 10 0 ECAERN O=C1NC(=O)[C@]2(CCN(S(=O)(=O)c3ccc(Cl)s3)C2)N1 ZINC000084796559 436385447 /nfs/dbraw/zinc/38/54/47/436385447.db2.gz YUEXIRZQQPTEGE-SNVBAGLBSA-N 0 0 335.794 0.374 10 0 ECAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)NCC(=O)N1CCCCC1 ZINC000087057376 436395967 /nfs/dbraw/zinc/39/59/67/436395967.db2.gz QDEUJTRVAYNGPA-GFCCVEGCSA-N 0 0 334.424 0.987 10 0 ECAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)NC[C@@H](C)N1CCOCC1 ZINC000087035890 436396149 /nfs/dbraw/zinc/39/61/49/436396149.db2.gz LAHCOSCIAWFKBX-OLZOCXBDSA-N 0 0 336.440 0.695 10 0 ECAERN CCc1nnc(CS(=O)(=O)[C@H](C)C(=O)NC(CC)CC)n1C ZINC000091049657 436439875 /nfs/dbraw/zinc/43/98/75/436439875.db2.gz LRKYBVPEHSGWSG-SNVBAGLBSA-N 0 0 330.454 0.986 10 0 ECAERN COCC1(C(=O)N2C[C@H](C(N)=O)[C@@H](c3cnn(C)c3C)C2)CCC1 ZINC000527579617 301874085 /nfs/dbraw/zinc/87/40/85/301874085.db2.gz MRYZDNZYHHGVIH-KGLIPLIRSA-N 0 0 334.420 0.573 10 0 ECAERN CCCc1ccc(S(=O)(=O)NC[C@H](O)CN2CCOCC2)cc1 ZINC000097008329 436536141 /nfs/dbraw/zinc/53/61/41/436536141.db2.gz SYXRMVZSYRUZMJ-HNNXBMFYSA-N 0 0 342.461 0.611 10 0 ECAERN Cc1nn(C)c(C)c1C(=O)C(=O)N1CCCN(c2cccnn2)CC1 ZINC000105810455 436579329 /nfs/dbraw/zinc/57/93/29/436579329.db2.gz XOCKFJIIHZYLSN-UHFFFAOYSA-N 0 0 342.403 0.749 10 0 ECAERN CN1CCO[C@H](CNC(=O)NCC(=O)N2CCc3ccccc32)C1 ZINC000104795218 436562642 /nfs/dbraw/zinc/56/26/42/436562642.db2.gz YSCCWUQLIGECOY-CQSZACIVSA-N 0 0 332.404 0.206 10 0 ECAERN CN1CCO[C@H](CNC(=O)NCc2ccnc(-n3cccn3)c2)C1 ZINC000104781977 436564331 /nfs/dbraw/zinc/56/43/31/436564331.db2.gz CZNREDLMNFFSTN-CQSZACIVSA-N 0 0 330.392 0.397 10 0 ECAERN CN1CCO[C@@H](CNC(=O)N2CCN(c3ccccc3O)CC2)C1 ZINC000105280764 436573045 /nfs/dbraw/zinc/57/30/45/436573045.db2.gz ZLCOKULBKPHCKX-AWEZNQCLSA-N 0 0 334.420 0.554 10 0 ECAERN Cc1cnn(C[C@H]2CN(Cc3cc(=O)n4nccc4[nH]3)CCO2)c1 ZINC000108867872 436622003 /nfs/dbraw/zinc/62/20/03/436622003.db2.gz JXTDFFPFIKYRGB-CQSZACIVSA-N 0 0 328.376 0.429 10 0 ECAERN CCc1nc2n(n1)C[C@H](Nc1ncc(S(N)(=O)=O)s1)CC2 ZINC000108948785 436622789 /nfs/dbraw/zinc/62/27/89/436622789.db2.gz BORKCQALVIJBDQ-SSDOTTSWSA-N 0 0 328.423 0.371 10 0 ECAERN Cc1nc(CN2CCCN(C(=O)[C@@H](C)NC(N)=O)CC2)cs1 ZINC000105819176 436580770 /nfs/dbraw/zinc/58/07/70/436580770.db2.gz KTRUDDZXZVSOCD-SNVBAGLBSA-N 0 0 325.438 0.543 10 0 ECAERN CCc1noc([C@@H](C)N2CCN(CC(=O)NCC(F)(F)F)CC2)n1 ZINC000105865052 436581085 /nfs/dbraw/zinc/58/10/85/436581085.db2.gz YKSKSPGDKQOAAA-SNVBAGLBSA-N 0 0 349.357 0.989 10 0 ECAERN CCc1nn(C)c(Cl)c1CN1CCN(C(=O)c2cn[nH]n2)CC1 ZINC000105838728 436582011 /nfs/dbraw/zinc/58/20/11/436582011.db2.gz HUIXWACUJMVXNQ-UHFFFAOYSA-N 0 0 337.815 0.712 10 0 ECAERN CCCNC(=O)CN(C)C(=O)CN1CCC[C@H](n2cc(C)cn2)C1 ZINC000105900631 436586013 /nfs/dbraw/zinc/58/60/13/436586013.db2.gz CFOBSJUZFFSSKE-HNNXBMFYSA-N 0 0 335.452 0.813 10 0 ECAERN COc1ccccc1C(=O)NCC(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000105908009 436586504 /nfs/dbraw/zinc/58/65/04/436586504.db2.gz WBGACHPEXZYNEW-CYBMUJFWSA-N 0 0 343.387 0.880 10 0 ECAERN Cc1cnn(C[C@H]2CN([C@@H](C)c3nc(N)nc(N(C)C)n3)CCO2)c1 ZINC000106196709 436589788 /nfs/dbraw/zinc/58/97/88/436589788.db2.gz BRQMABRLVIFXGS-QWHCGFSZSA-N 0 0 346.439 0.487 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)CNC(=O)c2cccc(F)c2)CC1 ZINC000106403292 436595334 /nfs/dbraw/zinc/59/53/34/436595334.db2.gz WWPDQLADERERMF-HNNXBMFYSA-N 0 0 337.395 0.471 10 0 ECAERN CC(C)n1nnnc1CN(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000111233266 436630557 /nfs/dbraw/zinc/63/05/57/436630557.db2.gz BLGOUYLFOKMMAI-CHWSQXEVSA-N 0 0 343.453 0.422 10 0 ECAERN C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CNS(=O)(=O)c1cccs1 ZINC000113229003 436636787 /nfs/dbraw/zinc/63/67/87/436636787.db2.gz PAEWVVOYLBVKCX-NWDGAFQWSA-N 0 0 343.474 0.722 10 0 ECAERN O=c1ccc2cc(S(=O)(=O)N[C@H]3CCc4ncnn4C3)ccc2o1 ZINC000113298885 436637126 /nfs/dbraw/zinc/63/71/26/436637126.db2.gz KENYYQWWTKEUNI-NSHDSACASA-N 0 0 346.368 0.678 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)NCCCN1CCOCC1)CC2 ZINC000114908821 436644451 /nfs/dbraw/zinc/64/44/51/436644451.db2.gz RWFYCHVBLARNMA-ZDUSSCGKSA-N 0 0 336.440 0.177 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)NCc1cccc(C(N)=O)c1)CC2 ZINC000114928674 436645334 /nfs/dbraw/zinc/64/53/34/436645334.db2.gz YHQXYSDJJKBCSU-ZDUSSCGKSA-N 0 0 342.403 0.754 10 0 ECAERN CCc1nnc([C@@H]2CN(C(=O)NCCCn3cccn3)CCO2)[nH]1 ZINC000136732818 436651883 /nfs/dbraw/zinc/65/18/83/436651883.db2.gz TVXXICZPBDFSSP-LBPRGKRZSA-N 0 0 333.396 0.737 10 0 ECAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)c1cc(C(N)=O)cn1C)CC2 ZINC000136871400 436654477 /nfs/dbraw/zinc/65/44/77/436654477.db2.gz QNFWMPJQOQDGQY-NSHDSACASA-N 0 0 330.392 0.584 10 0 ECAERN Cn1cc([C@@H]2CCN(C(=O)CSc3nnnn3C3CC3)C2)cn1 ZINC000116122957 436649131 /nfs/dbraw/zinc/64/91/31/436649131.db2.gz YMYCNUCLSUXRBC-SNVBAGLBSA-N 0 0 333.421 0.850 10 0 ECAERN NC(=O)N[C@H](Cc1ccccc1)C(=O)NCC(=O)NCC(F)(F)F ZINC000193864125 436654679 /nfs/dbraw/zinc/65/46/79/436654679.db2.gz DXVHPKVQBBTOOA-SNVBAGLBSA-N 0 0 346.309 0.061 10 0 ECAERN CN1CCn2nc(C(=O)NC[C@H]3CC(=O)N(C4CCCC4)C3)cc2C1 ZINC000065382110 436656292 /nfs/dbraw/zinc/65/62/92/436656292.db2.gz LSZFCMVHRCTFRJ-CYBMUJFWSA-N 0 0 345.447 0.849 10 0 ECAERN CCn1ncc(CN(C)C(=O)C[C@@H]2C(=O)NCCN2C(C)C)c1C ZINC000065423265 436659342 /nfs/dbraw/zinc/65/93/42/436659342.db2.gz JKRFDZQCJXEWIF-OAHLLOKOSA-N 0 0 335.452 0.769 10 0 ECAERN CN(C)C(=O)CNC(=O)N1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000120481717 436689035 /nfs/dbraw/zinc/68/90/35/436689035.db2.gz TYSBNLGIFVVPEC-GWCFXTLKSA-N 0 0 327.331 0.870 10 0 ECAERN CCNC(=O)N1CC[C@H](NC(=O)N2CCC[C@@H](n3cncn3)C2)C1 ZINC000120503564 436690097 /nfs/dbraw/zinc/69/00/97/436690097.db2.gz GMQFFDWMSYBEAH-QWHCGFSZSA-N 0 0 335.412 0.428 10 0 ECAERN CNC(=O)c1cccc(Nc2ncnc(N3CCC(O)CC3)n2)c1 ZINC000118589748 436662229 /nfs/dbraw/zinc/66/22/29/436662229.db2.gz WQUOPHGHTZDRPH-UHFFFAOYSA-N 0 0 328.376 0.936 10 0 ECAERN CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)N[C@@H]1CCCn2ncnc21 ZINC000151879651 436714432 /nfs/dbraw/zinc/71/44/32/436714432.db2.gz JKVFRVUDURRLNA-ZJUUUORDSA-N 0 0 329.426 0.193 10 0 ECAERN CCNC(=O)NC1(C(=O)NC[C@@H](C)N2CCOCC2)CCCC1 ZINC000067793548 436724056 /nfs/dbraw/zinc/72/40/56/436724056.db2.gz LWVXFTSCZBQXRY-CYBMUJFWSA-N 0 0 326.441 0.455 10 0 ECAERN COc1ccc([C@H](CO)N(C)C(=O)N[C@H]2CCc3ncnn3C2)cc1 ZINC000121788030 436724890 /nfs/dbraw/zinc/72/48/90/436724890.db2.gz YUJIEWLEEJYMBY-ZFWWWQNUSA-N 0 0 345.403 0.977 10 0 ECAERN CC[C@H](O)CCNC(=O)[C@@H]1CCC[C@@H]1C(=O)NCC[C@@H](O)CC ZINC000245892217 436767562 /nfs/dbraw/zinc/76/75/62/436767562.db2.gz RUZNLAVWGIUVMK-ZQDZILKHSA-N 0 0 328.453 0.957 10 0 ECAERN CC[C@H]1CN(C(=O)CS(=O)(=O)C(C)(C)C)CCN1CCOC ZINC000153092054 436747292 /nfs/dbraw/zinc/74/72/92/436747292.db2.gz FSPBRQQBFIIKTC-ZDUSSCGKSA-N 0 0 334.482 0.769 10 0 ECAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)NCCS(C)(=O)=O)CC2 ZINC000153519293 436758713 /nfs/dbraw/zinc/75/87/13/436758713.db2.gz PAWBBLJANBWFSO-JTQLQIEISA-N 0 0 329.426 0.060 10 0 ECAERN COc1ccc(CCCC(=O)NC[C@H](O)CN2CCOCC2)cc1 ZINC000128091396 436810669 /nfs/dbraw/zinc/81/06/69/436810669.db2.gz CDKDTJDPEQKTMW-INIZCTEOSA-N 0 0 336.432 0.827 10 0 ECAERN C[C@@H](CNC(=O)Nc1cnn(-c2ncccn2)c1)N1CCOCC1 ZINC000156296971 436812856 /nfs/dbraw/zinc/81/28/56/436812856.db2.gz KGEKTTHPTPUNOW-LBPRGKRZSA-N 0 0 331.380 0.505 10 0 ECAERN CCCN(C(=O)[C@H](C)N1C[C@H](C)O[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000249333919 436819360 /nfs/dbraw/zinc/81/93/60/436819360.db2.gz QCAPPBYYQJVCJW-AJNGGQMLSA-N 0 0 346.493 0.910 10 0 ECAERN Cc1cc(NC(=O)CN2CCN(C(=O)C[C@H](O)C(C)C)CC2)no1 ZINC000154687210 436784054 /nfs/dbraw/zinc/78/40/54/436784054.db2.gz WZTXEMZZRVWFNA-ZDUSSCGKSA-N 0 0 338.408 0.473 10 0 ECAERN Cc1ccc(F)c(NC(=O)C(=O)N2CCN(C[C@H](C)O)[C@H](C)C2)c1 ZINC000247008552 436788833 /nfs/dbraw/zinc/78/88/33/436788833.db2.gz LDAQQMTXPWPNGF-OLZOCXBDSA-N 0 0 337.395 0.986 10 0 ECAERN Cc1ccccc1OCCCC(=O)NC[C@@H](O)CN1CCOCC1 ZINC000129007891 436821940 /nfs/dbraw/zinc/82/19/40/436821940.db2.gz DIKPNPJEPFHHEF-MRXNPFEDSA-N 0 0 336.432 0.963 10 0 ECAERN Cc1cc(NC(=O)C(=O)NC[C@H](C)N2CCOCC2)cnc1Cl ZINC000126657373 436789869 /nfs/dbraw/zinc/78/98/69/436789869.db2.gz SGQZFIURYSULCI-NSHDSACASA-N 0 0 340.811 0.819 10 0 ECAERN Cc1c(F)cccc1NC(=O)C(=O)N1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000247235230 436791507 /nfs/dbraw/zinc/79/15/07/436791507.db2.gz ZOPUZXSWCXKMFE-RYUDHWBXSA-N 0 0 337.395 0.986 10 0 ECAERN Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)NC[C@H]1CCCC[C@H]1O ZINC000155626396 436799202 /nfs/dbraw/zinc/79/92/02/436799202.db2.gz KUSLSHSNCQFTNS-TZMCWYRMSA-N 0 0 332.404 0.849 10 0 ECAERN CNC(=O)CCCN(C)C(=O)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000132995234 436871969 /nfs/dbraw/zinc/87/19/69/436871969.db2.gz DBJZAULUVOICCE-LBPRGKRZSA-N 0 0 336.440 0.884 10 0 ECAERN Cc1ccc(OCCC(=O)NC[C@H](O)CN2CCOCC2)c(C)c1 ZINC000128984278 436823043 /nfs/dbraw/zinc/82/30/43/436823043.db2.gz OGTGUJBVXKPHEP-INIZCTEOSA-N 0 0 336.432 0.882 10 0 ECAERN C[C@@H]1CN(C(=O)Cc2csc(-c3cccnc3)n2)C[C@H](C(N)=O)O1 ZINC000157439050 436828567 /nfs/dbraw/zinc/82/85/67/436828567.db2.gz KBHWKAGDLHXPGG-ZWNOBZJWSA-N 0 0 346.412 0.849 10 0 ECAERN NC(=O)c1ccc(N2CCN(C(=O)[C@@H]3CC(F)(F)CN3)CC2)cc1 ZINC000263301529 436962722 /nfs/dbraw/zinc/96/27/22/436962722.db2.gz XBIZYGRMZTVRBL-ZDUSSCGKSA-N 0 0 338.358 0.431 10 0 ECAERN CN1CCO[C@@H](CNS(=O)(=O)c2ccccc2OC(F)F)C1 ZINC000171094517 436966339 /nfs/dbraw/zinc/96/63/39/436966339.db2.gz PTHONMPKCIGBFR-JTQLQIEISA-N 0 0 336.360 0.897 10 0 ECAERN COC[C@H](C)CS(=O)(=O)NC1CC([N@@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263516114 436970259 /nfs/dbraw/zinc/97/02/59/436970259.db2.gz ZYGBLACLFMNVKC-XGNXJENSSA-N 0 0 348.465 0.516 10 0 ECAERN Cc1ccccc1[C@H](CC(=O)NC[C@H]1CN(C)CCO1)NC(N)=O ZINC000171287736 436976111 /nfs/dbraw/zinc/97/61/11/436976111.db2.gz KVQSAVXQYRSDEK-ZFWWWQNUSA-N 0 0 334.420 0.541 10 0 ECAERN COc1ccc(F)cc1C(=O)N1CCO[C@H](C[N@H+](C)CC(=O)[O-])C1 ZINC000262966786 436945917 /nfs/dbraw/zinc/94/59/17/436945917.db2.gz XDYCJFGRHBFKBU-GFCCVEGCSA-N 0 0 340.351 0.692 10 0 ECAERN CN1CCO[C@H](CNC(=O)CCNC(=O)c2[nH]nc3ccccc32)C1 ZINC000170829272 436955733 /nfs/dbraw/zinc/95/57/33/436955733.db2.gz DSPJDEXBDWJILD-GFCCVEGCSA-N 0 0 345.403 0.130 10 0 ECAERN CN(c1cccnn1)C1CCN(C(=O)[C@@H]2CC(F)(F)CN2)CC1 ZINC000263229062 436957013 /nfs/dbraw/zinc/95/70/13/436957013.db2.gz NEMNCGKQDPMNCC-LBPRGKRZSA-N 0 0 325.363 0.901 10 0 ECAERN CC(C)C(=O)NCCNC(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000172519256 437017929 /nfs/dbraw/zinc/01/79/29/437017929.db2.gz LATUAUQGHJPCPW-GFCCVEGCSA-N 0 0 336.440 0.788 10 0 ECAERN COC(=O)c1ccc(CNC(=O)N[C@@H]2CCc3ncnn3C2)cc1 ZINC000171843801 436989490 /nfs/dbraw/zinc/98/94/90/436989490.db2.gz HWYAAWGQUGCPMF-CYBMUJFWSA-N 0 0 329.360 0.879 10 0 ECAERN Cn1cc(S(=O)(=O)N2CCO[C@@H]3CCCC[C@H]32)cc1C(N)=O ZINC000249384232 302918410 /nfs/dbraw/zinc/91/84/10/302918410.db2.gz WTBHXTPDUPRXAN-DGCLKSJQSA-N 0 0 327.406 0.456 10 0 ECAERN Cn1nccc1C1CCN(C(=O)[C@H]2CCCN2S(C)(=O)=O)CC1 ZINC000172381038 437012334 /nfs/dbraw/zinc/01/23/34/437012334.db2.gz FTHDTBVSSPUVJC-CQSZACIVSA-N 0 0 340.449 0.550 10 0 ECAERN CC(C)(CNC(=O)N1CCC[C@H](n2cncn2)C1)N1CCOCC1 ZINC000173367935 437046601 /nfs/dbraw/zinc/04/66/01/437046601.db2.gz XXLTZCVQRNFPNP-AWEZNQCLSA-N 0 0 336.440 0.735 10 0 ECAERN CCN1C[C@@H](C(=O)NC[C@@H]2CCCN2c2cc(NC)ncn2)CC1=O ZINC000173445651 437049526 /nfs/dbraw/zinc/04/95/26/437049526.db2.gz BAVPCAOEZJJOFA-STQMWFEESA-N 0 0 346.435 0.472 10 0 ECAERN CNc1cc(N2CCC[C@H]2CNC(=O)CCc2cnn(C)c2)ncn1 ZINC000173441003 437049603 /nfs/dbraw/zinc/04/96/03/437049603.db2.gz RSZYIYCGNIABPK-AWEZNQCLSA-N 0 0 343.435 0.970 10 0 ECAERN CCC[C@H](O)CNC(=O)NC[C@H]1CCCN1c1cc(NC)ncn1 ZINC000173425577 437050968 /nfs/dbraw/zinc/05/09/68/437050968.db2.gz YEKWIIQYBFRPSS-OLZOCXBDSA-N 0 0 336.440 0.947 10 0 ECAERN CCc1nnc([C@H]2CN(C(=O)[C@@H](C)NC(=O)c3ccco3)CCO2)[nH]1 ZINC000173558978 437056812 /nfs/dbraw/zinc/05/68/12/437056812.db2.gz YXMDBTVDAOTHJP-ZYHUDNBSSA-N 0 0 347.375 0.679 10 0 ECAERN Cc1cnn([C@@H]2CCCN(C(=O)C(C)(C)NS(C)(=O)=O)C2)c1 ZINC000173573311 437058103 /nfs/dbraw/zinc/05/81/03/437058103.db2.gz JWVTWYZXTQZHSH-GFCCVEGCSA-N 0 0 328.438 0.683 10 0 ECAERN CCCCCS(=O)(=O)CC(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000173821315 437066424 /nfs/dbraw/zinc/06/64/24/437066424.db2.gz SHKNWVVKDOCRMZ-CABCVRRESA-N 0 0 346.493 0.771 10 0 ECAERN COCc1cccc(S(=O)(=O)N2CC[C@@H](N3CCOCC3)C2)c1 ZINC000174001492 437073729 /nfs/dbraw/zinc/07/37/29/437073729.db2.gz CCKGYCHNHPZUPZ-OAHLLOKOSA-N 0 0 340.445 0.928 10 0 ECAERN CC(C)CS(=O)(=O)CCC(=O)N1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000174316890 437079892 /nfs/dbraw/zinc/07/98/92/437079892.db2.gz AZSXJMWGZCOPLY-ZIAGYGMSSA-N 0 0 334.482 0.361 10 0 ECAERN CCN(CC)S(=O)(=O)CC(=O)N1CCC[C@@H](Cn2cncn2)C1 ZINC000175070687 437095112 /nfs/dbraw/zinc/09/51/12/437095112.db2.gz MUVZBVKFYJMVMV-CYBMUJFWSA-N 0 0 343.453 0.188 10 0 ECAERN C[C@H]1CN(S(=O)(=O)c2ncn(C)c2Cl)C[C@@H]1N1CCOCC1 ZINC000176992733 437164029 /nfs/dbraw/zinc/16/40/29/437164029.db2.gz KKUMCUSGDVBQBY-QWRGUYRKSA-N 0 0 348.856 0.415 10 0 ECAERN CCc1cc(N2CCN(c3cncc(OC)n3)CC2)n2ncnc2n1 ZINC000301253963 437117969 /nfs/dbraw/zinc/11/79/69/437117969.db2.gz CYZAWUFHFVWPFR-UHFFFAOYSA-N 0 0 340.391 0.812 10 0 ECAERN Cn1cc(C(N)=O)cc1C(=O)N[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000176311784 437139057 /nfs/dbraw/zinc/13/90/57/437139057.db2.gz MHBWUDSHLWGTIO-LBPRGKRZSA-N 0 0 347.396 0.773 10 0 ECAERN COC[C@@H](O)CN1CCC(Nc2ccc(S(C)(=O)=O)cc2)CC1 ZINC000302122068 437140024 /nfs/dbraw/zinc/14/00/24/437140024.db2.gz DREVAZZYHMXPFP-HNNXBMFYSA-N 0 0 342.461 0.974 10 0 ECAERN COCCn1cc(NC(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)cn1 ZINC000177230109 437173351 /nfs/dbraw/zinc/17/33/51/437173351.db2.gz SZDFRSRZSNNIMZ-HIFRSBDPSA-N 0 0 337.424 0.714 10 0 ECAERN O=C(Nc1ccc(-n2nccn2)cc1)C(=O)N[C@H]1CCCC[C@@H]1CO ZINC000177549879 437190208 /nfs/dbraw/zinc/19/02/08/437190208.db2.gz UXMZVVAPCXXZJZ-DOMZBBRYSA-N 0 0 343.387 0.873 10 0 ECAERN O=C(CCNC(=O)OCC(F)(F)F)N[C@@H]1CCCn2ncnc21 ZINC000177615812 437192593 /nfs/dbraw/zinc/19/25/93/437192593.db2.gz RHDDZSFLMBAOIH-MRVPVSSYSA-N 0 0 335.286 0.908 10 0 ECAERN C[C@@H](O)CN1CCN(C(=O)C(=O)Nc2ccc(F)c(F)c2)C[C@@H]1C ZINC000177604322 437192687 /nfs/dbraw/zinc/19/26/87/437192687.db2.gz YJASRARFVGNXMA-WDEREUQCSA-N 0 0 341.358 0.817 10 0 ECAERN Cc1ccccc1-c1noc([C@@H](C)S(=O)(=O)C[C@H](O)CO)n1 ZINC000177670684 437193913 /nfs/dbraw/zinc/19/39/13/437193913.db2.gz OQFNQTYAYIYZRN-GHMZBOCLSA-N 0 0 326.374 0.874 10 0 ECAERN O=C(Cn1nc2ccccn2c1=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000177745772 437196639 /nfs/dbraw/zinc/19/66/39/437196639.db2.gz UALJDAVVFCJEJK-CYBMUJFWSA-N 0 0 326.360 0.384 10 0 ECAERN Cc1cc(NC(=O)C(=O)N2CCC[C@@H]2Cn2ccnc2C)n(C)n1 ZINC000177977107 437202276 /nfs/dbraw/zinc/20/22/76/437202276.db2.gz BCGVRAJQRGRAAD-CYBMUJFWSA-N 0 0 330.392 0.863 10 0 ECAERN Cc1cc(N2CCC[C@H](NC(=O)Nc3cccnn3)C2=O)n(C)n1 ZINC000178256655 437210336 /nfs/dbraw/zinc/21/03/36/437210336.db2.gz JQMUCXXPJYGQKZ-NSHDSACASA-N 0 0 329.364 0.836 10 0 ECAERN CNC(=O)[C@H](NC(=O)C1CCN(C(=O)N2CCCC2)CC1)C(C)C ZINC000178706628 437224949 /nfs/dbraw/zinc/22/49/49/437224949.db2.gz QZTZPFRFDQCTSR-CQSZACIVSA-N 0 0 338.452 0.801 10 0 ECAERN CCn1c(=O)n(CC(=O)Nc2cc(C)nn2C)nc1[C@H]1OCC[C@H]1C ZINC000328627651 437242557 /nfs/dbraw/zinc/24/25/57/437242557.db2.gz GKJHGTSUKPQZOA-YGRLFVJLSA-N 0 0 348.407 0.843 10 0 ECAERN Cc1cccc(OC[C@@H](O)CN2CCO[C@@H](c3nncn3C)C2)c1 ZINC000328639468 437244371 /nfs/dbraw/zinc/24/43/71/437244371.db2.gz PNYMDZBFXNLYIS-GOEBONIOSA-N 0 0 332.404 0.937 10 0 ECAERN CCCn1nnnc1CN(C)C[C@@H]1C[C@H](F)CN1c1ccncn1 ZINC000328648815 437247220 /nfs/dbraw/zinc/24/72/20/437247220.db2.gz USZPEOXZNAYKGA-STQMWFEESA-N 0 0 334.403 0.922 10 0 ECAERN CNS(=O)(=O)c1cc(C(=O)N2CCN3CCCC[C@@H]3C2)co1 ZINC000179374661 437262226 /nfs/dbraw/zinc/26/22/26/437262226.db2.gz DTACIWABQIBNBY-GFCCVEGCSA-N 0 0 327.406 0.498 10 0 ECAERN COc1c(CN2CCN(c3nccc(OC)n3)CC2)c(C)nn1C ZINC000180014924 437277946 /nfs/dbraw/zinc/27/79/46/437277946.db2.gz OXZQGLUVFTXPHJ-UHFFFAOYSA-N 0 0 332.408 0.858 10 0 ECAERN COCCn1cc(C(=O)N2CCOC[C@H]2C(N)=O)c2ccccc21 ZINC000180196760 437282308 /nfs/dbraw/zinc/28/23/08/437282308.db2.gz ZEBJFMJZPYNWKD-HNNXBMFYSA-N 0 0 331.372 0.614 10 0 ECAERN CCn1cc(NC(=O)C(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)cn1 ZINC000180247706 437283641 /nfs/dbraw/zinc/28/36/41/437283641.db2.gz RJTFDSPIRNZWRM-JSGCOSHPSA-N 0 0 335.408 0.021 10 0 ECAERN Cc1cnn(CCNC(=O)C(=O)Nc2c[nH]nc2-c2ccccn2)c1 ZINC000180569113 437294638 /nfs/dbraw/zinc/29/46/38/437294638.db2.gz BSXSYPLDXQVCAB-UHFFFAOYSA-N 0 0 339.359 0.732 10 0 ECAERN Cc1cc(N2CCC[C@H](N[C@@H](C)CS(C)(=O)=O)C2=O)n(C)n1 ZINC000182334079 437345747 /nfs/dbraw/zinc/34/57/47/437345747.db2.gz UIRYVVNRVCNTSS-RYUDHWBXSA-N 0 0 328.438 0.247 10 0 ECAERN Cc1nnc([C@@H]2CN(C(=O)Cc3ccc4c(c3)NC(=O)C4)CCO2)[nH]1 ZINC000182481919 437350756 /nfs/dbraw/zinc/35/07/56/437350756.db2.gz HICCYCQHQLICGC-AWEZNQCLSA-N 0 0 341.371 0.750 10 0 ECAERN Cn1cnn(CC(=O)N[C@H](Cc2ccccc2)C(F)(F)F)c1=O ZINC000182474120 437351364 /nfs/dbraw/zinc/35/13/64/437351364.db2.gz ZUJHLJWOJOKRIO-LLVKDONJSA-N 0 0 328.294 0.872 10 0 ECAERN CN(C)C(=O)CC1CCN(C(=O)NC[C@@H]2CN(C)CCO2)CC1 ZINC000182617368 437354799 /nfs/dbraw/zinc/35/47/99/437354799.db2.gz RZMSSXSIEVOCNL-CQSZACIVSA-N 0 0 326.441 0.217 10 0 ECAERN CC[C@@H]1CN(C(=O)NC[C@@H](C)[NH+](C)C2CC2)CC[N@@H+]1C[C@@H](C)O ZINC000181710940 437329276 /nfs/dbraw/zinc/32/92/76/437329276.db2.gz LZDLAILDZWVFBJ-RBSFLKMASA-N 0 0 326.485 0.956 10 0 ECAERN CCC[C@@H]1CN(C(=O)NCC(=O)NCC2CC2)CC[N@@H+]1CCOC ZINC000183798915 437389964 /nfs/dbraw/zinc/38/99/64/437389964.db2.gz YANDHOKTCBEVSY-OAHLLOKOSA-N 0 0 340.468 0.655 10 0 ECAERN COCC(=O)NC1CN(C(=O)c2cc(N(C)C)nc3ccccc32)C1 ZINC000186319360 437469767 /nfs/dbraw/zinc/46/97/67/437469767.db2.gz NQKKICFXHVTLJH-UHFFFAOYSA-N 0 0 342.399 0.888 10 0 ECAERN COCC(=O)NC1CN(C(=O)c2cn(Cc3cccc(F)c3)nn2)C1 ZINC000185279775 437434089 /nfs/dbraw/zinc/43/40/89/437434089.db2.gz FAZYXSSXCJULEC-UHFFFAOYSA-N 0 0 347.350 0.053 10 0 ECAERN COCC(=O)NC1CN(C(=O)NCC2(C)Cc3ccccc3C2)C1 ZINC000185759000 437451132 /nfs/dbraw/zinc/45/11/32/437451132.db2.gz LACNPJVNOVVRKR-UHFFFAOYSA-N 0 0 331.416 0.948 10 0 ECAERN Cc1cc(N2CCC[C@@H](NC(=O)NCC3(CCO)CC3)C2=O)n(C)n1 ZINC000187364913 437500904 /nfs/dbraw/zinc/50/09/04/437500904.db2.gz VGVJCEHAHZEGAU-CYBMUJFWSA-N 0 0 349.435 0.686 10 0 ECAERN CN1CCO[C@H](CNC(=O)N2CCC(C(=O)C(F)(F)F)CC2)C1 ZINC000187813832 437516610 /nfs/dbraw/zinc/51/66/10/437516610.db2.gz SIHRFPQVBCPKPA-LLVKDONJSA-N 0 0 337.342 0.870 10 0 ECAERN COCC(=O)NC1CN(C(=O)NCc2nc3ccccc3s2)C1 ZINC000188140785 437527853 /nfs/dbraw/zinc/52/78/53/437527853.db2.gz XZJJGXJKNMKNSI-UHFFFAOYSA-N 0 0 334.401 0.953 10 0 ECAERN O=C(NC1CN(C(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)C1)C1CC1 ZINC000187087903 437490512 /nfs/dbraw/zinc/49/05/12/437490512.db2.gz WPOMWGFVJCROFI-JTQLQIEISA-N 0 0 348.325 0.070 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)N1CCC[C@@]13CCOC3=O)CC2 ZINC000187115282 437491762 /nfs/dbraw/zinc/49/17/62/437491762.db2.gz VZVSXOASCRDDFV-ZBEGNZNMSA-N 0 0 333.392 0.646 10 0 ECAERN CS(=O)(=O)c1ccc(C(=O)N2CC(NC(=O)C3CCC3)C2)cc1 ZINC000188468014 437551594 /nfs/dbraw/zinc/55/15/94/437551594.db2.gz QSIJCLPHPRHOAO-UHFFFAOYSA-N 0 0 336.413 0.831 10 0 ECAERN CN(Cc1ccccc1)C(=O)CNC(=O)N1CC(NC(=O)C2CC2)C1 ZINC000190361832 437624574 /nfs/dbraw/zinc/62/45/74/437624574.db2.gz BSKKMKVOWMVNGK-UHFFFAOYSA-N 0 0 344.415 0.565 10 0 ECAERN CCn1cc([C@@H]2CN(CC(=O)N(C)Cc3cnn(C)c3)CCO2)cn1 ZINC000190780706 437637784 /nfs/dbraw/zinc/63/77/84/437637784.db2.gz DQXIAEPTPBSGMW-INIZCTEOSA-N 0 0 346.435 0.668 10 0 ECAERN CCn1cc([C@H]2CN([C@@H](C)C(=O)NC(=O)NC3CC3)CCO2)cn1 ZINC000190800736 437639808 /nfs/dbraw/zinc/63/98/08/437639808.db2.gz CTZJPGKWZVGRLC-SMDDNHRTSA-N 0 0 335.408 0.653 10 0 ECAERN C[C@@H](NC(=O)N1CCN(C(=O)Cn2cnnn2)CC1)c1cccs1 ZINC000193083404 437704435 /nfs/dbraw/zinc/70/44/35/437704435.db2.gz YJIOMMVIIICVRG-LLVKDONJSA-N 0 0 349.420 0.350 10 0 ECAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)[C@@H](C)N3CCN(C)CC3)C2)n1 ZINC000371651053 437973128 /nfs/dbraw/zinc/97/31/28/437973128.db2.gz WSMAGASCDSQCAK-RHSMWYFYSA-N 0 0 348.495 0.769 10 0 ECAERN CN(C)c1ncccc1O[C@@H]1CCN(S(=O)(=O)c2c[nH]cn2)C1 ZINC000366822422 438132530 /nfs/dbraw/zinc/13/25/30/438132530.db2.gz JBVCTEXPWNSMRH-LLVKDONJSA-N 0 0 337.405 0.713 10 0 ECAERN C[C@@H]1C(=O)NCCCN1C(=O)[C@H]1CC(=O)N(c2ccccc2F)C1 ZINC000373766733 438167671 /nfs/dbraw/zinc/16/76/71/438167671.db2.gz WFAPWOOIYXWZBU-NEPJUHHUSA-N 0 0 333.363 0.916 10 0 ECAERN CC[C@@H]1CN(C(=O)N[C@@H]2CCC(=O)N[C@H]2[C@H]2CCCO2)CCO1 ZINC000368205863 438299779 /nfs/dbraw/zinc/29/97/79/438299779.db2.gz RCENVBKRSSRYJS-RGCMKSIDSA-N 0 0 325.409 0.633 10 0 ECAERN O=C(Nc1cccc(S(=O)(=O)NCCO)c1)c1cncs1 ZINC000408520971 438581736 /nfs/dbraw/zinc/58/17/36/438581736.db2.gz DESWYGDCLDDUGS-UHFFFAOYSA-N 0 0 327.387 0.666 10 0 ECAERN CC(=O)N[C@@H]1[C@H](OC(C)=O)C[C@H](CF)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000575629027 438751746 /nfs/dbraw/zinc/75/17/46/438751746.db2.gz IIHVKSRJKCVISE-ARILJUKYSA-N 0 0 347.339 0.276 10 0 ECAERN C[C@@H](O)CNS(=O)(=O)C[C@H]1CCCN(C(=O)c2cccs2)C1 ZINC000521396714 439117754 /nfs/dbraw/zinc/11/77/54/439117754.db2.gz WAYLZOSEELZMNA-NEPJUHHUSA-N 0 0 346.474 0.901 10 0 ECAERN CCn1nccc1S(=O)(=O)N1CCOC[C@@H]1[C@H]1CCC[C@H]1O ZINC000583616367 439486284 /nfs/dbraw/zinc/48/62/84/439486284.db2.gz JTADKURSSWFFPC-JHJVBQTASA-N 0 0 329.422 0.454 10 0 ECAERN Cc1ccc(NC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)nn1 ZINC000583653024 439494902 /nfs/dbraw/zinc/49/49/02/439494902.db2.gz VMTWHSCWICFZIN-MJVIPROJSA-N 0 0 335.433 1.449 10 0 ECAERN COC(=O)CC(=O)NCCCCCCCCNC(=O)CC(=O)OC ZINC000584605537 439604761 /nfs/dbraw/zinc/60/47/61/439604761.db2.gz XTSYEKQFOZJFRX-UHFFFAOYSA-N 0 0 344.408 0.686 10 0 ECAERN CCN1C(=O)C[C@H](C(=O)Nc2nnn(C)c2C)[C@H]1c1cnn(C)c1C ZINC000616326989 439815494 /nfs/dbraw/zinc/81/54/94/439815494.db2.gz SGJXQLGPLNWOLX-FZMZJTMJSA-N 0 0 345.407 0.714 10 0 ECAERN CCOC(=O)c1ccc([C@@H]2COCCN(S(N)(=O)=O)C2)cc1 ZINC000616596076 439820739 /nfs/dbraw/zinc/82/07/39/439820739.db2.gz XVPBEDMHTSDBJR-ZDUSSCGKSA-N 0 0 328.390 0.483 10 0 ECAERN C[C@@H](C(=O)N1CCN2C(=O)CC[C@@H]2C1)N1C(=O)c2ccccc2C1=O ZINC000644050346 440429671 /nfs/dbraw/zinc/42/96/71/440429671.db2.gz XPLHZNHEPSZDNG-NWDGAFQWSA-N 0 0 341.367 0.504 10 0 ECAERN Cc1cc(CNC(=O)C[C@@H]2CS(=O)(=O)CCN2C)ccc1F ZINC000644273541 440501119 /nfs/dbraw/zinc/50/11/19/440501119.db2.gz UZORBSNEKSQVNC-CYBMUJFWSA-N 0 0 328.409 0.869 10 0 ECAERN CCn1nccc1S(=O)(=O)NC[C@@H]1CCO[C@H]1c1nccn1C ZINC000659999596 440562567 /nfs/dbraw/zinc/56/25/67/440562567.db2.gz TXPMXISRDCGOID-WCQYABFASA-N 0 0 339.421 0.693 10 0 ECAERN O=C(CN1CCCC[C@H](O)C1=O)NCc1cccc2c1OCCCO2 ZINC000644400264 440569419 /nfs/dbraw/zinc/56/94/19/440569419.db2.gz GWJKCDSURPRKJP-AWEZNQCLSA-N 0 0 348.399 0.838 10 0 ECAERN CN(C)C(=O)CCNC(=O)[C@H]1CC[C@@H](C(=O)[O-])N1Cc1ccccc1 ZINC000630659377 440934543 /nfs/dbraw/zinc/93/45/43/440934543.db2.gz SECFKQNDZUZUTK-CABCVRRESA-N 0 0 347.415 0.699 10 0 ECAERN CC(C)n1cc([C@]2(O)CCN(C(=O)CN3CCCCC3=O)C2)nn1 ZINC000284675335 320629936 /nfs/dbraw/zinc/62/99/36/320629936.db2.gz RGFLQMPLNHPBRB-INIZCTEOSA-N 0 0 335.408 0.291 10 0 ECAERN CO[C@@H]1C[C@@H](CO)N(C(=O)c2ccc(=O)n(-c3ccccc3F)n2)C1 ZINC000284750242 320635568 /nfs/dbraw/zinc/63/55/68/320635568.db2.gz FVXTWPMVGSZJMV-NWDGAFQWSA-N 0 0 347.346 0.593 10 0 ECAERN O=C(c1cnn2ccncc12)N1CCC[C@H](CN2CCOCC2)C1 ZINC000328670213 320726194 /nfs/dbraw/zinc/72/61/94/320726194.db2.gz GHBZOTCDYDIUQG-CQSZACIVSA-N 0 0 329.404 0.914 10 0 ECAERN Cn1cc([C@]2(C)CN([C@H]3CCN(C4CCOCC4)C3=O)CCO2)cn1 ZINC000328682257 320727187 /nfs/dbraw/zinc/72/71/87/320727187.db2.gz VMXVHXKPKXQVCZ-WMZOPIPTSA-N 0 0 348.447 0.747 10 0 ECAERN COCCC(=O)N1CCN(C(=O)C[C@@H](C)N2CCCCC2=O)CC1 ZINC000328750989 320730791 /nfs/dbraw/zinc/73/07/91/320730791.db2.gz MWIXBCAVWKSCDI-CQSZACIVSA-N 0 0 339.436 0.485 10 0 ECAERN C[C@H](C(=O)Nc1ccc(CN2C(=O)CCC2=O)cc1)N1CCOCC1 ZINC000328777311 320731977 /nfs/dbraw/zinc/73/19/77/320731977.db2.gz DAQAKQFYKURPRQ-CYBMUJFWSA-N 0 0 345.399 0.995 10 0 ECAERN O=C(N1C[C@@H](O)C[C@@H]1c1ccc(F)cc1)N1CCS(=O)(=O)CC1 ZINC000328917542 320741084 /nfs/dbraw/zinc/74/10/84/320741084.db2.gz KSYMTAZAGFUFTO-UONOGXRCSA-N 0 0 342.392 0.784 10 0 ECAERN Cn1nccc1[C@@H]1[C@@H](C(=O)N2CCC[C@@](F)(CO)C2)CC(=O)N1C ZINC000329126618 320754887 /nfs/dbraw/zinc/75/48/87/320754887.db2.gz YPGDILGFFAZVCA-PJODQICGSA-N 0 0 338.383 0.263 10 0 ECAERN CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)c2csc3cncn32)C1 ZINC000329501077 320775654 /nfs/dbraw/zinc/77/56/54/320775654.db2.gz YNLABZBIIMSAIR-SNVBAGLBSA-N 0 0 342.446 0.938 10 0 ECAERN CN1C(=O)CC[C@@H](NC(=O)N[C@@H]2CCC(=O)N[C@H]2C(C)(C)C)C1=O ZINC000333793972 320926094 /nfs/dbraw/zinc/92/60/94/320926094.db2.gz WWIWTNBGWJOMOB-GIPNMCIBSA-N 0 0 338.408 0.126 10 0 ECAERN CCn1ncnc1CN1C[C@H](COCC(=O)N(C)C)OC(C)(C)C1 ZINC000343331647 321133511 /nfs/dbraw/zinc/13/35/11/321133511.db2.gz ACQJUFJIVQBBOH-CYBMUJFWSA-N 0 0 339.440 0.382 10 0 ECAERN Cc1cc(N2CCC[C@H](NC(=O)NCC3(C)COC3)C2=O)n(C)n1 ZINC000176702508 533896009 /nfs/dbraw/zinc/89/60/09/533896009.db2.gz WBQFEWVNTMYDQF-LBPRGKRZSA-N 0 0 335.408 0.560 10 0 ECAERN C[C@@H]1CN(C(=O)CNC(=O)c2ccc(F)cc2)C[C@H]1N1CCOCC1 ZINC000173981885 534305297 /nfs/dbraw/zinc/30/52/97/534305297.db2.gz MZGNTKFAQBPUBM-CZUORRHYSA-N 0 0 349.406 0.735 10 0 ECAERN C[C@@H]1CN(C(=O)CNC(=O)c2cccs2)C[C@@H]1N1CCOCC1 ZINC000173960590 534305372 /nfs/dbraw/zinc/30/53/72/534305372.db2.gz MDOIFUBFIFUDHE-OLZOCXBDSA-N 0 0 337.445 0.657 10 0 ECAERN O=C(NCCc1ccc(OCC(F)(F)F)nc1)[C@H]1CNC(=O)C1 ZINC000186417441 534461662 /nfs/dbraw/zinc/46/16/62/534461662.db2.gz RUFMRUPGTLCKTR-SNVBAGLBSA-N 0 0 331.294 0.818 10 0 ECAERN Cc1ncc(CN2CCN(C(=O)N[C@@H](C)C(=O)N(C)C)CC2)s1 ZINC000171901633 534736580 /nfs/dbraw/zinc/73/65/80/534736580.db2.gz DJAOALWBTNMODH-NSHDSACASA-N 0 0 339.465 0.755 10 0 ECAERN O=C1N[C@@H](c2cn(-c3ccc(F)c(Cl)c3)nn2)N2CCOC[C@@H]12 ZINC000180936347 534795291 /nfs/dbraw/zinc/79/52/91/534795291.db2.gz WSRLSUYHIQTCCR-QWHCGFSZSA-N 0 0 337.742 0.889 10 0 ECAERN Cc1nnc(NC(=O)N2CCN(c3ccc4nncn4n3)CC2)s1 ZINC000130827404 534869747 /nfs/dbraw/zinc/86/97/47/534869747.db2.gz IZXHFMQNXBMJGV-UHFFFAOYSA-N 0 0 345.392 0.638 10 0 ECAERN CC(C)(C)OC(=O)N1CC(CC(=O)N[C@H]2CCc3ncnn3C2)C1 ZINC000174815623 526385019 /nfs/dbraw/zinc/38/50/19/526385019.db2.gz QDBZELKKXZYXMO-LBPRGKRZSA-N 0 0 335.408 0.966 10 0 ECAERN CC(=O)NC1CN(C(=O)C(=O)Nc2cnn(-c3ccccc3)c2)C1 ZINC000191346001 526705471 /nfs/dbraw/zinc/70/54/71/526705471.db2.gz PYJPRHFDOILNGB-UHFFFAOYSA-N 0 0 327.344 0.158 10 0 ECAERN CC(=O)NC1CN(C(=O)C[C@@H](C)S(=O)(=O)c2ccc(F)cc2)C1 ZINC000190460925 526706449 /nfs/dbraw/zinc/70/64/49/526706449.db2.gz DJVRQVDAHPTWKK-SNVBAGLBSA-N 0 0 342.392 0.725 10 0 ECAERN CC(C)(Oc1ccc(F)cc1)C(=O)NC[C@@H](O)CN1CCOCC1 ZINC000154147191 527374933 /nfs/dbraw/zinc/37/49/33/527374933.db2.gz SPQBNSOGZLNTGX-CQSZACIVSA-N 0 0 340.395 0.792 10 0 ECAERN CC(C)C(=O)NCCNC(=O)N1CCC(Nc2cccnn2)CC1 ZINC000152986131 527501939 /nfs/dbraw/zinc/50/19/39/527501939.db2.gz WGHQGXUXFOVTRV-UHFFFAOYSA-N 0 0 334.424 0.835 10 0 ECAERN CCC(=O)N1CC[C@H](NC(=O)N2CCO[C@H](Cn3cccn3)C2)C1 ZINC000151664628 528371776 /nfs/dbraw/zinc/37/17/76/528371776.db2.gz SZPLBODCKUBRBL-KBPBESRZSA-N 0 0 335.408 0.304 10 0 ECAERN CCCn1cc(CN2CCCN(C(=O)CN3CCCC3=O)CC2)cn1 ZINC000105833032 545740542 /nfs/dbraw/zinc/74/05/42/545740542.db2.gz UIKLTICKWLYFTC-UHFFFAOYSA-N 0 0 347.463 0.950 10 0 ECAERN O=C(N[C@H]1CCN(C(=O)C2CCCC2)C1)N[C@H]1CCc2ncnn2C1 ZINC000130658754 545786077 /nfs/dbraw/zinc/78/60/77/545786077.db2.gz GJMUQZZXBNESGB-KBPBESRZSA-N 0 0 346.435 0.683 10 0 ECAERN C[C@@H](O)CN1CCN(C(=O)C(=O)Nc2cnn(CC3CC3)c2)C[C@@H]1C ZINC000177970816 545876664 /nfs/dbraw/zinc/87/66/64/545876664.db2.gz SGDPBIHPNKYYOO-QWHCGFSZSA-N 0 0 349.435 0.145 10 0 ECAERN CNc1cc(N2CCC[C@@H]2CNC(=O)c2cnn(C)c2N)ncn1 ZINC000184900412 545894212 /nfs/dbraw/zinc/89/42/12/545894212.db2.gz NGMKIJBPOBVAIJ-SNVBAGLBSA-N 0 0 330.396 0.233 10 0 ECAERN CC[C@H]1CN(S(=O)(=O)CC[C@H]2CCCO2)CCN1CCOC ZINC000245976355 545938023 /nfs/dbraw/zinc/93/80/23/545938023.db2.gz BYDRNQOOOILFMQ-LSDHHAIUSA-N 0 0 334.482 0.928 10 0 ECAERN Cn1cnc2c1CCN(C(=O)CCN1C(=O)c3ccccc3C1=O)C2 ZINC000624507496 546932517 /nfs/dbraw/zinc/93/25/17/546932517.db2.gz HBQWDKJYYFMZSG-UHFFFAOYSA-N 0 0 338.367 0.991 10 0 ECAERN O=S(=O)(N[C@H]1CCOC[C@H]1O)c1cccc(Br)c1 ZINC000625590366 547158327 /nfs/dbraw/zinc/15/83/27/547158327.db2.gz GEHZAFABVGQDBS-WDEREUQCSA-N 0 0 336.207 0.877 10 0 ECAERN O=S(=O)(N[C@H]1CCOC[C@@H]1O)c1cccc(Br)c1 ZINC000625590365 547158493 /nfs/dbraw/zinc/15/84/93/547158493.db2.gz GEHZAFABVGQDBS-QWRGUYRKSA-N 0 0 336.207 0.877 10 0 ECAERN O=S(=O)(c1ccc2c(c1)CCC2)N1CC[C@](O)(Cn2ccnn2)C1 ZINC000671431366 548146934 /nfs/dbraw/zinc/14/69/34/548146934.db2.gz LPEIGIUHMTUGJV-INIZCTEOSA-N 0 0 348.428 0.593 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)c2cc([C@H]3CCCN3C)[nH]n2)CC1 ZINC000896210899 586227574 /nfs/dbraw/zinc/22/75/74/586227574.db2.gz OXLNSIVRGZNMQI-CZUORRHYSA-N 0 0 335.452 0.705 10 0 ECAERN O=C(c1ccoc1Br)N1CC[C@@]2(C1)NC(=O)NC2=O ZINC000232467136 586262893 /nfs/dbraw/zinc/26/28/93/586262893.db2.gz XLZMCFBAJJMHEJ-NSHDSACASA-N 0 0 328.122 0.466 10 0 ECAERN O=C(c1ccoc1Br)N1CC[C@]2(C1)NC(=O)NC2=O ZINC000232467173 586263008 /nfs/dbraw/zinc/26/30/08/586263008.db2.gz XLZMCFBAJJMHEJ-LLVKDONJSA-N 0 0 328.122 0.466 10 0 ECAERN CC(=O)N1CC(OCC(=O)N[C@H]2CCC[C@H]2Oc2cnn(C)c2)C1 ZINC000888094793 586348976 /nfs/dbraw/zinc/34/89/76/586348976.db2.gz CNFOUEKIHPQKRD-LSDHHAIUSA-N 0 0 336.392 0.084 10 0 ECAERN Cn1ccc(C(=O)N[C@@H]2CCCC[C@@H]2Cc2nn(C)c(=O)n2C)c1 ZINC000888098732 586349944 /nfs/dbraw/zinc/34/99/44/586349944.db2.gz LUPWICXQVTVFBQ-TZMCWYRMSA-N 0 0 331.420 0.989 10 0 ECAERN CNC(=O)[C@@H]1CC(=O)N(C2CN(c3nccc(OC(C)C)n3)C2)C1 ZINC000888099063 586350185 /nfs/dbraw/zinc/35/01/85/586350185.db2.gz QEOWYFGTXTWKJJ-LLVKDONJSA-N 0 0 333.392 0.047 10 0 ECAERN Cc1cc(C(=O)N[C@@H]2CCCC[C@@H]2Cc2nn(C)c(=O)n2C)no1 ZINC000888099348 586350369 /nfs/dbraw/zinc/35/03/69/586350369.db2.gz VUJOBZLAJLWPKN-VXGBXAGGSA-N 0 0 333.392 0.947 10 0 ECAERN Cc1ccn2cnc(C(=O)N[C@H]3COC[C@H]3Oc3cnn(C)c3)c2c1 ZINC000888100812 586350401 /nfs/dbraw/zinc/35/04/01/586350401.db2.gz WJDNONBLGDALFL-DZGCQCFKSA-N 0 0 341.371 0.952 10 0 ECAERN Cc1cn(C(C)(C)C(=O)N2CCC[C@](O)(C(=O)N3CCCC3)C2)cn1 ZINC000897718692 586364507 /nfs/dbraw/zinc/36/45/07/586364507.db2.gz VMZHBZNYUSTJSS-GOSISDBHSA-N 0 0 348.447 0.903 10 0 ECAERN O=S(=O)(c1ccc(NCC2CC(O)C2)cc1)N1CCOCC1 ZINC000894772597 586410279 /nfs/dbraw/zinc/41/02/79/586410279.db2.gz KGLFLLRWOMPGQH-UHFFFAOYSA-N 0 0 326.418 0.890 10 0 ECAERN COCCN1C[C@@H](C(=O)N2CC[C@@H](n3cc(C4CC4)nn3)C2)CC1=O ZINC000899074389 586469597 /nfs/dbraw/zinc/46/95/97/586469597.db2.gz HCQBKNPWLREAKO-UONOGXRCSA-N 0 0 347.419 0.424 10 0 ECAERN C[C@@H](CN1CCOCC1)NC(=O)C1C[C@H]2CSC[C@@H](C1)C2=O ZINC000900208206 586531293 /nfs/dbraw/zinc/53/12/93/586531293.db2.gz DTSSRPTWFSFPMQ-FUDCBSFHSA-N 0 0 326.462 0.782 10 0 ECAERN Cc1nccn1[C@@H]1CCCN(C(=O)C2CN(S(C)(=O)=O)C2)C1 ZINC000900598694 586646177 /nfs/dbraw/zinc/64/61/77/586646177.db2.gz OVHLOHRZTCEUHN-CYBMUJFWSA-N 0 0 326.422 0.246 10 0 ECAERN C=CC(=O)N(CC)CC(=O)N1CCCN(Cc2noc(C)n2)CC1 ZINC000900657339 586651932 /nfs/dbraw/zinc/65/19/32/586651932.db2.gz ZMEXIASKUGAUHZ-UHFFFAOYSA-N 0 0 335.408 0.447 10 0 ECAERN C[C@@H]1CN(C)C[C@H](C(=O)Nc2cccnc2N2CCC(O)CC2)O1 ZINC000857116198 589687413 /nfs/dbraw/zinc/68/74/13/589687413.db2.gz YFYROJNSQKYNHF-IUODEOHRSA-N 0 0 334.420 0.700 10 0 ECAERN CCS(=O)(=O)CCN1CCN(Cc2c(C)nn(C)c2C)CC1 ZINC000118398246 589867310 /nfs/dbraw/zinc/86/73/10/589867310.db2.gz BBMRTPJBSXDGJB-UHFFFAOYSA-N 0 0 328.482 0.589 10 0 ECAERN COC(=O)c1cn(CN2CCN(C[C@H](O)c3ccccc3)CC2)nn1 ZINC000118951566 589941227 /nfs/dbraw/zinc/94/12/27/589941227.db2.gz PLFIYBJVKCNHAL-INIZCTEOSA-N 0 0 345.403 0.373 10 0 ECAERN CC[C@@H]1CCc2c(sc(=O)n2CN2C[C@@H](C)O[C@H](C(N)=O)C2)C1 ZINC000120269212 590111822 /nfs/dbraw/zinc/11/18/22/590111822.db2.gz BXZWTEIONVELRC-WZRBSPASSA-N 0 0 339.461 0.957 10 0 ECAERN CCCn1[nH]ccc1=NC(=O)CN1CCC[C@@H]1[C@H]1COCC[C@H]1O ZINC000886026725 590786689 /nfs/dbraw/zinc/78/66/89/590786689.db2.gz QYGMWYPZUDDDCS-RBSFLKMASA-N 0 0 336.436 0.515 10 0 ECAERN Cn1cnnc1C[C@@]1(O)CCCN(S(=O)(=O)C2CCCCC2)C1 ZINC000886027156 590786886 /nfs/dbraw/zinc/78/68/86/590786886.db2.gz KLFSCJOJOMWKMV-HNNXBMFYSA-N 0 0 342.465 0.847 10 0 ECAERN Cc1nn(C(C)C)cc1CN1CCN([C@@]2(C(N)=O)CCOC2)CC1 ZINC000886026735 590787124 /nfs/dbraw/zinc/78/71/24/590787124.db2.gz RWIAAZPEKULZLE-KRWDZBQOSA-N 0 0 335.452 0.534 10 0 ECAERN CO[C@@H]1C[C@@H](COc2cccnc2)N(C(=O)CCn2ccnn2)C1 ZINC000886039170 590788166 /nfs/dbraw/zinc/78/81/66/590788166.db2.gz OBHXISZOUGDXRB-DZGCQCFKSA-N 0 0 331.376 0.758 10 0 ECAERN Cn1nccc1[C@H]1[C@H](CNC(=O)Cc2ncccc2F)OCCN1C ZINC000886063000 590788559 /nfs/dbraw/zinc/78/85/59/590788559.db2.gz UQBPRMMVFSUOBX-RDJZCZTQSA-N 0 0 347.394 0.685 10 0 ECAERN CC(C)Oc1cc(N2CCC[C@@](O)(Cc3nncn3C)C2)ncn1 ZINC000886065451 590789636 /nfs/dbraw/zinc/78/96/36/590789636.db2.gz DUELJOFLPPLZGK-MRXNPFEDSA-N 0 0 332.408 0.966 10 0 ECAERN Cn1cc([C@@H]2OCCC[C@H]2CNS(=O)(=O)c2ccnn2C)cn1 ZINC000886079537 590791733 /nfs/dbraw/zinc/79/17/33/590791733.db2.gz FDIWMWGIFOXMJU-SMDDNHRTSA-N 0 0 339.421 0.600 10 0 ECAERN CO[C@H]1CCCCN(CC(=O)N2CC(O)(c3ccccc3)C2)C1=O ZINC000886078513 590791804 /nfs/dbraw/zinc/79/18/04/590791804.db2.gz ZBAAYCWLQHGRGV-HNNXBMFYSA-N 0 0 332.400 0.744 10 0 ECAERN Cc1ccc(F)cc1C(=O)N1CCN([C@@]2(C(N)=O)CCOC2)CC1 ZINC000886077637 590791996 /nfs/dbraw/zinc/79/19/96/590791996.db2.gz MZKLWSQQKKMOON-KRWDZBQOSA-N 0 0 335.379 0.536 10 0 ECAERN O=C(CN1CCCC[C@@H](O)C1=O)N1CC(COc2ccccc2)C1 ZINC000886078100 590792093 /nfs/dbraw/zinc/79/20/93/590792093.db2.gz LOKMNIRXHKFDOL-MRXNPFEDSA-N 0 0 332.400 0.897 10 0 ECAERN Cn1cnnc1C[C@]1(O)CCCN(C(=O)COCC2CCCC2)C1 ZINC000886084655 590792571 /nfs/dbraw/zinc/79/25/71/590792571.db2.gz WAYZVZGPWYXGTC-QGZVFWFLSA-N 0 0 336.436 0.918 10 0 ECAERN Cc1cc(C)n(CC(=O)N[C@@H]2CCC(=O)N(C)[C@H]2c2nccn2C)n1 ZINC000886085006 590793420 /nfs/dbraw/zinc/79/34/20/590793420.db2.gz SVFQSOSQZAHSFI-CZUORRHYSA-N 0 0 344.419 0.712 10 0 ECAERN CO[C@H]1CCCCN(CC(=O)N2CCN(c3cnn(C)c3)CC2)C1=O ZINC000886088609 590794026 /nfs/dbraw/zinc/79/40/26/590794026.db2.gz KWYJRZHGZKNWMI-HNNXBMFYSA-N 0 0 349.435 0.096 10 0 ECAERN CN(C(=O)c1ccn(C)c(=O)c1)[C@H]1COC[C@H]1Oc1cnn(C)c1 ZINC000886093824 590794293 /nfs/dbraw/zinc/79/42/93/590794293.db2.gz JYQRNHWRKOVOSG-UONOGXRCSA-N 0 0 332.360 0.037 10 0 ECAERN COC(=O)[C@@H]1CCCCN1C(=O)CS[C@@H]1CCS(=O)(=O)C1 ZINC000106099693 591168174 /nfs/dbraw/zinc/16/81/74/591168174.db2.gz DFPIWNLKUZAJDE-MNOVXSKESA-N 0 0 335.447 0.461 10 0 ECAERN CCCn1cc(NC(=O)C(=O)N[C@H]2CCc3nc(CC)nn3C2)cn1 ZINC000158373962 611448056 /nfs/dbraw/zinc/44/80/56/611448056.db2.gz RGOIYLWLAQGRRJ-NSHDSACASA-N 0 0 345.407 0.517 10 0 ECAERN CCc1noc([C@@H](C)N2CCN(CN3C[C@@H](OC)CC3=O)CC2)n1 ZINC000189131025 611499085 /nfs/dbraw/zinc/49/90/85/611499085.db2.gz ZUGVHXZRLPDKOA-OLZOCXBDSA-N 0 0 337.424 0.515 10 0 ECAERN O=C(NC1CC1)C1CCN(c2cnc(N3CCOCC3)nc2)CC1 ZINC000065166632 608791679 /nfs/dbraw/zinc/79/16/79/608791679.db2.gz UZHCFIFKLRWCNU-UHFFFAOYSA-N 0 0 331.420 0.808 10 0 ECAERN CCN(CC)C(=O)COCC(=O)NCCCc1nnc2ccccn21 ZINC000222441640 609075305 /nfs/dbraw/zinc/07/53/05/609075305.db2.gz RIULCMUULHEQLC-UHFFFAOYSA-N 0 0 347.419 0.663 10 0 ECAERN C/C=C(/C)CN1C[C@@H](NC(=O)Cn2ccnc2C)C[C@H]1C(=O)NCC ZINC000229987247 609078621 /nfs/dbraw/zinc/07/86/21/609078621.db2.gz JJCXVDZACULOPH-WYMQAPTCSA-N 0 0 347.463 0.853 10 0 ECAERN C[C@H]1NC(=O)CC[C@H]1NC(=O)c1cccn1CCN1CCOCC1 ZINC000908004377 609635226 /nfs/dbraw/zinc/63/52/26/609635226.db2.gz RWNHPMZJHFHNDC-ZIAGYGMSSA-N 0 0 334.420 0.217 10 0 ECAERN CC(=O)NCc1ccc(C(=O)N[C@@H]2C[C@@H](O)[C@H]2n2cccn2)cc1 ZINC000909157335 609678905 /nfs/dbraw/zinc/67/89/05/609678905.db2.gz MVJSRWVYRFPJCA-OAGGEKHMSA-N 0 0 328.372 0.624 10 0 ECAERN CC(C)CC(=O)N1CCC[C@H](c2nc3c([nH]2)n(C)c(=O)n(C)c3=O)C1 ZINC000222505018 609701980 /nfs/dbraw/zinc/70/19/80/609701980.db2.gz YDEPEZGMCXWOFF-NSHDSACASA-N 0 0 347.419 0.712 10 0 ECAERN COC(=O)C1CCN(C(=O)[C@@H]2CN(C(C)=O)Cc3cccnc32)CC1 ZINC000222659906 609703106 /nfs/dbraw/zinc/70/31/06/609703106.db2.gz PHYUHYJQYKKBAT-OAHLLOKOSA-N 0 0 345.399 0.939 10 0 ECAERN CC(=O)N1Cc2cccnc2[C@H](C(=O)NCCC(=O)NC(C)C)C1 ZINC000222645279 609703127 /nfs/dbraw/zinc/70/31/27/609703127.db2.gz KUZUOQDMAGOJLL-CQSZACIVSA-N 0 0 332.404 0.558 10 0 ECAERN Cc1c(C(=O)NCCn2cc(Br)cn2)nn2c1OCC2 ZINC000223826694 609714775 /nfs/dbraw/zinc/71/47/75/609714775.db2.gz IKFWJTMPZGVFMV-UHFFFAOYSA-N 0 0 340.181 0.973 10 0 ECAERN COC(=O)c1cn(CN2CCN(c3nc4ccccc4o3)CC2)nn1 ZINC000172497564 609772743 /nfs/dbraw/zinc/77/27/43/609772743.db2.gz LNJGCWNZSXQAPW-UHFFFAOYSA-N 0 0 342.359 0.986 10 0 ECAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NC1CC(OC)(OC)C1 ZINC000911046895 609798577 /nfs/dbraw/zinc/79/85/77/609798577.db2.gz KHHRPUNJFWONQJ-LBPRGKRZSA-N 0 0 334.438 0.458 10 0 ECAERN O=C([C@H]1CCS(=O)(=O)c2ccccc21)N1CCOC[C@H]1CO ZINC000912417810 609956575 /nfs/dbraw/zinc/95/65/75/609956575.db2.gz VEQYFSPEMCQHQA-YPMHNXCESA-N 0 0 325.386 0.167 10 0 ECAERN CCc1ccc(N2C[C@H](C(=O)N3CCOC[C@@H]3CO)CC2=O)cc1 ZINC000912427041 609958253 /nfs/dbraw/zinc/95/82/53/609958253.db2.gz GQUMTXDFHRRNAX-ZBFHGGJFSA-N 0 0 332.400 0.822 10 0 ECAERN COC(=O)[C@@H]1C[C@H]1C(=O)OCCn1cc(Br)ccc1=O ZINC000181354607 610166341 /nfs/dbraw/zinc/16/63/41/610166341.db2.gz YFKLYTHOGUPHDV-NXEZZACHSA-N 0 0 344.161 0.963 10 0 ECAERN CCN1CCC[C@H](NC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)C1 ZINC000194648251 612248151 /nfs/dbraw/zinc/24/81/51/612248151.db2.gz HMODBHFRPJMZLP-LBPRGKRZSA-N 0 0 338.433 0.085 10 0 ECAERN CCOCCN1CCN(CC(=O)Nc2ccccc2C(N)=O)C[C@H]1C ZINC000247200545 612825646 /nfs/dbraw/zinc/82/56/46/612825646.db2.gz OYAWDAWFLTZHTJ-CQSZACIVSA-N 0 0 348.447 0.767 10 0 ECAERN Cc1noc([C@H]2CCN(C(=O)[C@@H]3CC(=O)N(c4cn[nH]c4)C3)C2)n1 ZINC000329064331 740419165 /nfs/dbraw/zinc/41/91/65/740419165.db2.gz OMQBHLBZHKDABL-WDEREUQCSA-N 0 0 330.348 0.470 10 0 ECAERN Cc1n[nH]cc1CNC(=O)[C@H](C)NC1=NS(=O)(=O)c2ccccc21 ZINC000051382700 214092390 /nfs/dbraw/zinc/09/23/90/214092390.db2.gz APOXLNYBMWWOLR-JTQLQIEISA-N 0 0 347.400 0.462 10 0 ECAERN C[C@@H](NC(=O)c1ccco1)C(=O)NC(C)(C)CCS(C)(=O)=O ZINC000173305041 230916748 /nfs/dbraw/zinc/91/67/48/230916748.db2.gz VNKXEMHRUKBXJU-SNVBAGLBSA-N 0 0 330.406 0.727 10 0 ECAERN CC(C)OCCNC(=O)C[C@@H]1C(=O)NCCN1Cc1ccccn1 ZINC000055053315 214267970 /nfs/dbraw/zinc/26/79/70/214267970.db2.gz HMZSWUQJXRYOLY-OAHLLOKOSA-N 0 0 334.420 0.313 10 0 ECAERN CSCCNC(=O)C[C@@H]1C(=O)NCCN1Cc1cccc(F)c1 ZINC000055182862 214284507 /nfs/dbraw/zinc/28/45/07/214284507.db2.gz OWOXMBHGPKSTPE-CQSZACIVSA-N 0 0 339.436 0.995 10 0 ECAERN Cc1nccn1C[C@H]1CCCN1S(=O)(=O)CCS(C)(=O)=O ZINC000173741201 231019908 /nfs/dbraw/zinc/01/99/08/231019908.db2.gz WBJLRRUDOMJWBL-GFCCVEGCSA-N 0 0 335.451 0.030 10 0 ECAERN Cc1cc(N2CCC[C@H](NC(=O)CNCC(F)(F)F)C2=O)n(C)n1 ZINC000174978239 231358794 /nfs/dbraw/zinc/35/87/94/231358794.db2.gz KHOZDWDHWYKTDC-JTQLQIEISA-N 0 0 347.341 0.492 10 0 ECAERN Cc1nccn1C[C@@H]1CCCN1C(=O)CCC(=O)N1CCOCC1 ZINC000177149875 282211845 /nfs/dbraw/zinc/21/18/45/282211845.db2.gz GGPUSQBPLNJJDC-HNNXBMFYSA-N 0 0 334.420 0.822 10 0 ECAERN O=C(Nc1ccn([C@@H]2O[C@@H](CO)C[C@H]2O)c(=O)n1)c1ccccc1 ZINC000098044125 219073442 /nfs/dbraw/zinc/07/34/42/219073442.db2.gz QUGKQHJTFHHVDD-LALPHHSUSA-N 0 0 331.328 0.136 10 0 ECAERN CN1CCO[C@@H](CNS(=O)(=O)c2ccc(C(F)(F)F)nc2)C1 ZINC000181965233 529784076 /nfs/dbraw/zinc/78/40/76/529784076.db2.gz GXJDSEBQWXYDDI-VIFPVBQESA-N 0 0 339.339 0.709 10 0 ECAERN CN1CCO[C@H](CNS(=O)(=O)c2cnc(-c3ccccc3)nc2)C1 ZINC000187104944 529790105 /nfs/dbraw/zinc/79/01/05/529790105.db2.gz YQHMGDDRNHURDB-CQSZACIVSA-N 0 0 348.428 0.753 10 0 ECAERN CN1CC[C@@H](NC(=O)N2CCN(C[C@H](O)c3ccccc3)CC2)C1=O ZINC000163865272 529794940 /nfs/dbraw/zinc/79/49/40/529794940.db2.gz SWIAYJRDSPNFRQ-CVEARBPZSA-N 0 0 346.431 0.278 10 0 ECAERN CN(Cc1nnc2n1c1ccsc1c(=O)n2C)CC1CC(O)C1 ZINC000190172954 530030178 /nfs/dbraw/zinc/03/01/78/530030178.db2.gz KAWYZHFPVWIAMH-UHFFFAOYSA-N 0 0 333.417 0.845 10 0 ECAERN Cc1ccc([C@H](CNC(=O)C(=O)NC2CC2)N2CCOCC2)s1 ZINC000177971168 232045138 /nfs/dbraw/zinc/04/51/38/232045138.db2.gz FOYWCWVCEOQIAP-ZDUSSCGKSA-N 0 0 337.445 0.825 10 0 ECAERN CC(=O)N[C@@H]1CCCN(C(=O)NCC(=O)N2CCc3ccccc32)C1 ZINC000101946117 219174614 /nfs/dbraw/zinc/17/46/14/219174614.db2.gz DLQXHMFHSAJLQM-OAHLLOKOSA-N 0 0 344.415 0.886 10 0 ECAERN C[C@@H](CNC(=O)C(=O)Nc1cccc(F)c1F)N1CCOCC1 ZINC000067748129 215201926 /nfs/dbraw/zinc/20/19/26/215201926.db2.gz KLZAKWLRRHTBLZ-JTQLQIEISA-N 0 0 327.331 0.740 10 0 ECAERN COCCCNC(=O)[C@H](C)N1CCN(C(=O)N[C@H]2C[C@@H]2C)CC1 ZINC000103516481 219311616 /nfs/dbraw/zinc/31/16/16/219311616.db2.gz QEXIKNFQVPDBER-IHRRRGAJSA-N 0 0 326.441 0.263 10 0 ECAERN COCc1c(C(=O)N2CCOCC2)nnn1-c1ccc(OC)cc1 ZINC000040179793 213280568 /nfs/dbraw/zinc/28/05/68/213280568.db2.gz MPZYFKXLVAWFAP-UHFFFAOYSA-N 0 0 332.360 0.895 10 0 ECAERN Cn1nc(C(=O)N2CCO[C@@H](Cn3cccn3)C2)cc1OC(F)F ZINC000185528249 235687794 /nfs/dbraw/zinc/68/77/94/235687794.db2.gz RCEHTSXTIBVMCR-SNVBAGLBSA-N 0 0 341.318 0.759 10 0 ECAERN O=C(CN1C(=O)C[C@@H](c2cccc(F)c2)NC1=O)N1CCOCC1 ZINC000037553811 213155900 /nfs/dbraw/zinc/15/59/00/213155900.db2.gz DOTWDJOFMSAXRF-ZDUSSCGKSA-N 0 0 335.335 0.668 10 0 ECAERN O=C(NC1CN(C(=O)N[C@H]2CCN(c3ccccc3)C2=O)C1)C1CC1 ZINC000187064731 236107348 /nfs/dbraw/zinc/10/73/48/236107348.db2.gz AUQCIUCAOIMUQI-HNNXBMFYSA-N 0 0 342.399 0.712 10 0 ECAERN COC(=O)[C@@H]1CCCN(C(=O)c2c(C)nn(C)c2-n2cccn2)C1 ZINC000187459569 236216196 /nfs/dbraw/zinc/21/61/96/236216196.db2.gz JILVBYYLOXSZGX-GFCCVEGCSA-N 0 0 331.376 0.939 10 0 ECAERN Cc1sc2ncc(C(=O)N3CC(NC(=O)C4CC4)C3)c(=O)n2c1C ZINC000189456876 236916907 /nfs/dbraw/zinc/91/69/07/236916907.db2.gz ULDMPIWHIKNICB-UHFFFAOYSA-N 0 0 346.412 0.723 10 0 ECAERN CC(=O)c1sc(NC(=O)CSc2nncc(=O)n2N)nc1C ZINC000032521269 212807683 /nfs/dbraw/zinc/80/76/83/212807683.db2.gz DHFUOLXZFFOSBI-UHFFFAOYSA-N 0 0 340.390 0.050 10 0 ECAERN Cc1c(CNS(=O)(=O)c2cnn(-c3ccccn3)c2)cnn1C ZINC000072238920 216077385 /nfs/dbraw/zinc/07/73/85/216077385.db2.gz PWTYEVNCXKCAGK-UHFFFAOYSA-N 0 0 332.389 0.788 10 0 ECAERN COCCn1ccc(NC(=O)C(=O)N2CCCC[C@@H]2c2cn[nH]c2)n1 ZINC000190156251 238256700 /nfs/dbraw/zinc/25/67/00/238256700.db2.gz FXXXGFQEQZORDB-CYBMUJFWSA-N 0 0 346.391 0.945 10 0 ECAERN Cc1nc2nc(C)c3c(ccn(CCCN4CCOCC4)c3=O)n2n1 ZINC000072449431 216239092 /nfs/dbraw/zinc/23/90/92/216239092.db2.gz WULWOZGKIJJPGX-UHFFFAOYSA-N 0 0 342.403 0.778 10 0 ECAERN CCn1cc([C@H]2CN(C(=O)NCCCN3CCCC3=O)CCO2)cn1 ZINC000190242605 238327217 /nfs/dbraw/zinc/32/72/17/238327217.db2.gz ITADZNKVBLPDGN-OAHLLOKOSA-N 0 0 349.435 0.998 10 0 ECAERN CCn1cc(C(=O)C(=O)N2CCCN(Cc3cnn(C)c3)CC2)cn1 ZINC000130699509 223170457 /nfs/dbraw/zinc/17/04/57/223170457.db2.gz ZBISGKUVCPHGHW-UHFFFAOYSA-N 0 0 344.419 0.554 10 0 ECAERN CC[C@@H]1CN(C(=O)C(=O)Nc2ccc(F)cn2)CCN1CCOC ZINC000193278373 240088305 /nfs/dbraw/zinc/08/83/05/240088305.db2.gz ALPHUMXCMGIMRG-CYBMUJFWSA-N 0 0 338.383 0.728 10 0 ECAERN Cc1nc(Cl)ccc1NC(=O)C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000193483003 240183021 /nfs/dbraw/zinc/18/30/21/240183021.db2.gz LUBLMKIUXHUZOB-UHFFFAOYSA-N 0 0 336.779 0.719 10 0 ECAERN CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)NCC[C@H]1CCC(=O)N1 ZINC000242196961 243012806 /nfs/dbraw/zinc/01/28/06/243012806.db2.gz XGMNEUDBMPWARW-CHWSQXEVSA-N 0 0 345.465 0.366 10 0 ECAERN CN(CC(=O)N1CC[C@]2(O)CCCC[C@H]2C1)c1ncnc2nc[nH]c21 ZINC000247171599 243386085 /nfs/dbraw/zinc/38/60/85/243386085.db2.gz SQKXFRWGKIEUDA-YVEFUNNKSA-N 0 0 344.419 0.943 10 0 ECAERN OC[C@H]1O[C@@H](CO)[C@](O)(Cc2ccccc2)[C@@]1(O)Cc1ccccc1 ZINC000256011721 244063268 /nfs/dbraw/zinc/06/32/68/244063268.db2.gz XRCVKNLGUSNDSJ-IYWMVGAKSA-N 0 0 344.407 0.686 10 0 ECAERN C[C@H](CNC(=O)Cn1nnc(-c2ccccc2)n1)N1CCOCC1 ZINC000019657637 212054139 /nfs/dbraw/zinc/05/41/39/212054139.db2.gz SDIQSWJYABOMCK-CYBMUJFWSA-N 0 0 330.392 0.177 10 0 ECAERN CN[C@@H](C(=O)NCC(=O)N1CCc2ccccc21)c1cnn(C)c1 ZINC000262553439 245031043 /nfs/dbraw/zinc/03/10/43/245031043.db2.gz PCSBWPQOPVUKBH-MRXNPFEDSA-N 0 0 327.388 0.386 10 0 ECAERN CN(C)[C@H](C(=O)N1CCO[C@H](C[N@H+](C)CC(=O)[O-])C1)c1ccccc1 ZINC000262794993 245183575 /nfs/dbraw/zinc/18/35/75/245183575.db2.gz DORPGPOAGNZUJK-WBVHZDCISA-N 0 0 349.431 0.533 10 0 ECAERN CCOc1ccc(C(=O)N2CCO[C@@H](C[N@H+](C)CC(=O)[O-])C2)cc1 ZINC000262971414 245277503 /nfs/dbraw/zinc/27/75/03/245277503.db2.gz RYWKFDCBOPKTLJ-HNNXBMFYSA-N 0 0 336.388 0.943 10 0 ECAERN O=C(Nc1ccc(-n2ccnc2)nc1)C(=O)N[C@@H]1CCCC[C@@H]1CO ZINC000078992691 217167459 /nfs/dbraw/zinc/16/74/59/217167459.db2.gz WFVAHSNYDOEYLF-TZMCWYRMSA-N 0 0 343.387 0.873 10 0 ECAERN Cc1ccc(C(=O)NCCNC(=O)NC[C@H](C)N2CCOCC2)cc1 ZINC000111453080 220156269 /nfs/dbraw/zinc/15/62/69/220156269.db2.gz XWTQUYCDBGZFMW-HNNXBMFYSA-N 0 0 348.447 0.745 10 0 ECAERN C[C@@H](O)C1CCN(C(=O)C(=O)Nc2cccnc2-n2cccn2)CC1 ZINC000111920867 220224073 /nfs/dbraw/zinc/22/40/73/220224073.db2.gz UCPLHJCXFOAUGQ-GFCCVEGCSA-N 0 0 343.387 0.825 10 0 ECAERN C[C@H](O)C1CCN(C(=O)C(=O)Nc2ccc(-n3nccn3)cc2)CC1 ZINC000111920352 220224983 /nfs/dbraw/zinc/22/49/83/220224983.db2.gz STMSRRPNUVVNRY-LBPRGKRZSA-N 0 0 343.387 0.825 10 0 ECAERN Nc1n[nH]c(C(=O)N2CC[C@@]3(C2)CCCN(CCO)C3=O)c1Cl ZINC000091593017 218027174 /nfs/dbraw/zinc/02/71/74/218027174.db2.gz HEZWWYTZLJZBDK-CQSZACIVSA-N 0 0 341.799 0.092 10 0 ECAERN NC(=O)[C@H]1COCCN1C(=O)CCc1cnn(-c2ccccc2)c1 ZINC000091783299 218066219 /nfs/dbraw/zinc/06/62/19/218066219.db2.gz TWNVSEOXIBXVIX-OAHLLOKOSA-N 0 0 328.372 0.518 10 0 ECAERN CCc1cc2c(CN3CCOC[C@@H]3C(N)=O)cc(=O)oc2cc1O ZINC000092229947 218128114 /nfs/dbraw/zinc/12/81/14/218128114.db2.gz SZLKTYNMXGCNTD-CYBMUJFWSA-N 0 0 332.356 0.747 10 0 ECAERN CN1CCO[C@@H](CNC(=O)[C@@H]2CC(c3cc(F)ccc3F)=NO2)C1 ZINC000112195855 220257051 /nfs/dbraw/zinc/25/70/51/220257051.db2.gz FFQNAQYHCMFORQ-NHYWBVRUSA-N 0 0 339.342 0.905 10 0 ECAERN CNc1cc(N2CCC[C@@H]2CNC(=O)N[C@@H](C)c2nc[nH]n2)ncn1 ZINC000183130632 533049583 /nfs/dbraw/zinc/04/95/83/533049583.db2.gz ZIPXFOZKIOAGMB-WDEREUQCSA-N 0 0 345.411 0.666 10 0 ECAERN O=C(CSc1nnnn1C1CCCC1)N[C@H]1CCc2ncnn2C1 ZINC000112653335 220365217 /nfs/dbraw/zinc/36/52/17/220365217.db2.gz VTXMWIGTXQOBMP-JTQLQIEISA-N 0 0 348.436 0.603 10 0 ECAERN C[C@H](NC(=O)N[C@@H]1CCc2ncnn2C1)C(=O)NCc1ccccc1 ZINC000112745690 220394956 /nfs/dbraw/zinc/39/49/56/220394956.db2.gz UGAUZQXDEGESSW-GXTWGEPZSA-N 0 0 342.403 0.597 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)Cn1c(C)c(C)sc1=O)CC2 ZINC000114868117 220770843 /nfs/dbraw/zinc/77/08/43/220770843.db2.gz KTHFEDPHGITQGM-LLVKDONJSA-N 0 0 335.433 0.812 10 0 ECAERN CCOCCN1CCN(C(=O)c2ccccc2-n2cnnn2)C[C@@H]1C ZINC000117276337 221041303 /nfs/dbraw/zinc/04/13/03/221041303.db2.gz IKGBRKBVCNOUPD-AWEZNQCLSA-N 0 0 344.419 0.845 10 0 ECAERN COCCN1CCN(C(=O)c2cccc(-n3cnnn3)c2)C[C@@H]1C ZINC000117291947 221046093 /nfs/dbraw/zinc/04/60/93/221046093.db2.gz NWZQQIQDCFRJMK-ZDUSSCGKSA-N 0 0 330.392 0.455 10 0 ECAERN COCCN1CCN(C(=O)NCc2cccc(C(N)=O)c2)C[C@H]1C ZINC000117478277 221068749 /nfs/dbraw/zinc/06/87/49/221068749.db2.gz ODGMRWQYHMBQGR-CYBMUJFWSA-N 0 0 334.420 0.648 10 0 ECAERN CCn1c(=O)[nH]c2cc(C(=O)NCCn3cc(C)cn3)ccc2c1=O ZINC000117810389 221091931 /nfs/dbraw/zinc/09/19/31/221091931.db2.gz WLQFGQLOYFGLAI-UHFFFAOYSA-N 0 0 341.371 0.645 10 0 ECAERN Cc1cnn(CCNC(=O)CCn2nnc3ccccc3c2=O)c1 ZINC000117816645 221092840 /nfs/dbraw/zinc/09/28/40/221092840.db2.gz NRBFHQRYOUPPBG-UHFFFAOYSA-N 0 0 326.360 0.503 10 0 ECAERN Cc1ccc2cccc(NC(=O)C(=O)NC[C@H]3CN(C)CCO3)c2n1 ZINC000118115758 221121014 /nfs/dbraw/zinc/12/10/14/221121014.db2.gz ITZZWMWECNFDHY-AWEZNQCLSA-N 0 0 342.399 0.929 10 0 ECAERN CN1CCO[C@H](CNC(=O)C(=O)Nc2cccc(Cl)c2F)C1 ZINC000118115651 221121955 /nfs/dbraw/zinc/12/19/55/221121955.db2.gz AFHPYFQGRKSVSU-SECBINFHSA-N 0 0 329.759 0.864 10 0 ECAERN C[C@@H](NC(=O)c1ccco1)C(=O)N1CCC(Cn2ccnn2)CC1 ZINC000154703873 224292120 /nfs/dbraw/zinc/29/21/20/224292120.db2.gz CMPKNPJMCYOPCE-GFCCVEGCSA-N 0 0 331.376 0.928 10 0 ECAERN CCS(=O)(=O)N1CC[C@H]2OCCN(Cc3ccncc3)[C@@H]2C1 ZINC000253490199 257658764 /nfs/dbraw/zinc/65/87/64/257658764.db2.gz HVDSWMAEQOCJSZ-HUUCEWRRSA-N 0 0 325.434 0.706 10 0 ECAERN CC(C)NC(=O)[C@@H]1CCS(=O)(=O)[C@H]2CN(c3ncccn3)C[C@H]21 ZINC000253372433 257659522 /nfs/dbraw/zinc/65/95/22/257659522.db2.gz FHWWYWIJFPXDQW-AGIUHOORSA-N 0 0 338.433 0.241 10 0 ECAERN Cc1cncc(C(=O)N2CC[C@H]3OCCN(S(C)(=O)=O)[C@@H]3C2)c1 ZINC000247925807 257673176 /nfs/dbraw/zinc/67/31/76/257673176.db2.gz PEJSJKPZAONENG-ZIAGYGMSSA-N 0 0 339.417 0.265 10 0 ECAERN Cc1ccnc(O[C@H]2CCOC3(CN(S(=O)(=O)N(C)C)C3)C2)n1 ZINC000247917784 257674194 /nfs/dbraw/zinc/67/41/94/257674194.db2.gz BUJLZFGDSKJKTB-LBPRGKRZSA-N 0 0 342.421 0.204 10 0 ECAERN CS(=O)(=O)NC[C@@H]1OC[C@H]2CCN(C(=O)c3ccsc3)C[C@@H]12 ZINC000247509363 257682331 /nfs/dbraw/zinc/68/23/31/257682331.db2.gz HZFZPQDXWZTOTN-RTXFEEFZSA-N 0 0 344.458 0.774 10 0 ECAERN COCCCCNC(=O)N[C@@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000175127260 533261584 /nfs/dbraw/zinc/26/15/84/533261584.db2.gz YRVODYGILCWPHF-CYBMUJFWSA-N 0 0 337.424 0.950 10 0 ECAERN COC(=O)CCCS(=O)(=O)N1CCC[C@H]1Cn1ccnc1C ZINC000173743940 533397501 /nfs/dbraw/zinc/39/75/01/533397501.db2.gz ZEXZKHLYIQMVHV-ZDUSSCGKSA-N 0 0 329.422 0.939 10 0 ECAERN CC(=O)N[C@H]1CCCN(C(=O)CCCNC(=O)c2cccnc2)C1 ZINC000119853615 296644151 /nfs/dbraw/zinc/64/41/51/296644151.db2.gz FYBJQAYCLDKIDI-HNNXBMFYSA-N 0 0 332.404 0.719 10 0 ECAERN O=C(C[C@H]1COCCN1C[C@H](O)CN1CCCC1=O)c1ccco1 ZINC000121083354 296646602 /nfs/dbraw/zinc/64/66/02/296646602.db2.gz DURRJXXTNURTGC-KBPBESRZSA-N 0 0 336.388 0.537 10 0 ECAERN CCO[C@@H]1C[C@@H](NC(=O)[C@@H]2CN(CC)CCO2)C12CCOCC2 ZINC000248573647 286271941 /nfs/dbraw/zinc/27/19/41/286271941.db2.gz NYUGXNLKBVALKG-RRFJBIMHSA-N 0 0 326.437 0.798 10 0 ECAERN COCCC(=O)N1CC[C@@H](NS(C)(=O)=O)[C@@H]1Cc1ccccc1 ZINC000096200827 292273698 /nfs/dbraw/zinc/27/36/98/292273698.db2.gz POXUYFCKMNWKRH-CABCVRRESA-N 0 0 340.445 0.784 10 0 ECAERN CNC(=O)[C@H](NC(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1C)C(C)C ZINC000246150531 296731022 /nfs/dbraw/zinc/73/10/22/296731022.db2.gz DRQRCSZIFZXIHS-FRRDWIJNSA-N 0 0 326.441 0.846 10 0 ECAERN CN1CC(=O)N(CCCC(=O)N2CCC(c3cc[nH]n3)CC2)C1=O ZINC000125050770 164660974 /nfs/dbraw/zinc/66/09/74/164660974.db2.gz DAPSPFTWRIZKPW-UHFFFAOYSA-N 0 0 333.392 0.790 10 0 ECAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)CCC(=O)N1CCOCC1)CC2 ZINC000133920243 164706295 /nfs/dbraw/zinc/70/62/95/164706295.db2.gz XUPADVHUILTYJG-ZDUSSCGKSA-N 0 0 349.435 0.472 10 0 ECAERN O=C([C@@H]1CC(=O)N(c2cn[nH]c2)C1)N1CCO[C@H](c2nccs2)C1 ZINC000178223697 164913581 /nfs/dbraw/zinc/91/35/81/164913581.db2.gz JWCLFVRDTOEDOD-PWSUYJOCSA-N 0 0 347.400 0.819 10 0 ECAERN Cn1cc([C@H]2CCCN2C(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)cn1 ZINC000178203332 164913832 /nfs/dbraw/zinc/91/38/32/164913832.db2.gz ZCOJDTRIODEOJN-SMDDNHRTSA-N 0 0 328.376 0.860 10 0 ECAERN Cc1cc(N2CCN(C(=O)c3cccc(N)c3)CC2)n2ncnc2n1 ZINC000178754873 164920118 /nfs/dbraw/zinc/92/01/18/164920118.db2.gz CPCVWWYKWCSYQO-UHFFFAOYSA-N 0 0 337.387 0.977 10 0 ECAERN NC(=O)[C@H](c1ccc(Br)cc1)N1C[C@H](O)C[C@@H]1CO ZINC000184718468 164964933 /nfs/dbraw/zinc/96/49/33/164964933.db2.gz LADJQRSWBMORKY-UTUOFQBUSA-N 0 0 329.194 0.403 10 0 ECAERN Cc1cc(NC(=O)C(=O)N2C[C@H](CO)[C@H](c3ccsc3)C2)n(C)n1 ZINC000186311329 164981478 /nfs/dbraw/zinc/98/14/78/164981478.db2.gz GLVSMGWLJLMDIS-OLZOCXBDSA-N 0 0 348.428 0.963 10 0 ECAERN Cc1nc2c(c(=O)[nH]n2C)c(C)c1CC(=O)N1CCCNC(=O)[C@@H]1C ZINC000188096853 164994792 /nfs/dbraw/zinc/99/47/92/164994792.db2.gz WQAGHZBCZJTNDJ-NSHDSACASA-N 0 0 345.403 0.158 10 0 ECAERN Cc1nc(CN2CCCN(S(=O)(=O)c3ccco3)CC2)no1 ZINC000188730113 165000828 /nfs/dbraw/zinc/00/08/28/165000828.db2.gz JNNACJOWRHSUAZ-UHFFFAOYSA-N 0 0 326.378 0.868 10 0 ECAERN C[C@H]1C(=O)NCCCN1C(=O)C(=O)Nc1ccc(-c2cc[nH]n2)cc1 ZINC000190667491 165023765 /nfs/dbraw/zinc/02/37/65/165023765.db2.gz HQRXXUQNYFTDKR-NSHDSACASA-N 0 0 341.371 0.752 10 0 ECAERN C[C@H]1C(=O)NCCCN1C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000191212402 165030508 /nfs/dbraw/zinc/03/05/08/165030508.db2.gz ANWRSXYHUARDRC-AWEZNQCLSA-N 0 0 345.447 0.966 10 0 ECAERN COCCC[NH+]1CCC(NC(=O)N2CCCNC(=O)[C@@H]2C)CC1 ZINC000191413123 165032365 /nfs/dbraw/zinc/03/23/65/165032365.db2.gz HTNYJUSYMNDAHZ-ZDUSSCGKSA-N 0 0 326.441 0.407 10 0 ECAERN C[C@@H]1C(=O)NCCCN1C(=O)NCc1cccc(-n2cncn2)c1 ZINC000191405398 165033274 /nfs/dbraw/zinc/03/32/74/165033274.db2.gz ZDXRXEJHBJMFCP-GFCCVEGCSA-N 0 0 328.376 0.687 10 0 ECAERN CN1CCO[C@@H](CNC(=O)C2=NN(Cc3ccccc3)C(=O)CC2)C1 ZINC000194610556 165068301 /nfs/dbraw/zinc/06/83/01/165068301.db2.gz YTGHGEGOGWCKLE-HNNXBMFYSA-N 0 0 344.415 0.612 10 0 ECAERN COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)[C@H]1CNC(=O)C1)CC3 ZINC000194866592 165071988 /nfs/dbraw/zinc/07/19/88/165071988.db2.gz GULNZCWKTGGOCN-LLVKDONJSA-N 0 0 341.367 0.975 10 0 ECAERN CC(C)n1nnnc1CN1CCCN(CC(=O)N2CCCC2)CC1 ZINC000195058272 165073336 /nfs/dbraw/zinc/07/33/36/165073336.db2.gz XNTYDFNXJBDLMP-UHFFFAOYSA-N 0 0 335.456 0.384 10 0 ECAERN Cn1c(CN2CCC[C@H](C(=O)N3CCOCC3)C2)nnc1C1CC1 ZINC000195049479 165073969 /nfs/dbraw/zinc/07/39/69/165073969.db2.gz WUWLKEPJKCILSP-AWEZNQCLSA-N 0 0 333.436 0.763 10 0 ECAERN CO[C@H](C)CS(=O)(=O)N1CCCN(Cc2noc(C)n2)CC1 ZINC000195315015 165080187 /nfs/dbraw/zinc/08/01/87/165080187.db2.gz LUWBQZXFHSLPGO-LLVKDONJSA-N 0 0 332.426 0.250 10 0 ECAERN CC(C)n1nnnc1CS(=O)(=O)CC(=O)N1CCCCCC1 ZINC000195427661 165081376 /nfs/dbraw/zinc/08/13/76/165081376.db2.gz NVPNTEDZSSSNJN-UHFFFAOYSA-N 0 0 329.426 0.571 10 0 ECAERN C[C@@H]1NC(C(=O)N[C@H]2CCCC[C@H]2O)=NN(c2ccccc2)C1=O ZINC000245685288 165114301 /nfs/dbraw/zinc/11/43/01/165114301.db2.gz MNPHKFHOGNLUCT-FPMFFAJLSA-N 0 0 330.388 0.745 10 0 ECAERN CCN(C(=O)[C@H](C)N1CCS[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000245825770 165115778 /nfs/dbraw/zinc/11/57/78/165115778.db2.gz OVSHAQLKWDRUOS-AVGNSLFASA-N 0 0 334.507 0.848 10 0 ECAERN CCn1cc(CN2CCCN(S(=O)(=O)[C@H](C)COC)CC2)cn1 ZINC000246758436 165143552 /nfs/dbraw/zinc/14/35/52/165143552.db2.gz SZVIJSHTPAAVRJ-CQSZACIVSA-N 0 0 344.481 0.775 10 0 ECAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)N[C@@H](C)C[S@@](C)=O)CCO2)n1 ZINC000248491244 165178720 /nfs/dbraw/zinc/17/87/20/165178720.db2.gz NUKKWPFHGIZCKY-QCZLMCJCSA-N 0 0 342.465 0.677 10 0 ECAERN CCN(CC)C(=O)CCCNC(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000248591408 165181156 /nfs/dbraw/zinc/18/11/56/165181156.db2.gz HFELPEJCWKVGSO-CABCVRRESA-N 0 0 342.484 0.732 10 0 ECAERN CCn1cc([C@H]2CN([C@H](C)C(=O)NC(=O)NC(C)C)CCO2)cn1 ZINC000248814476 165186852 /nfs/dbraw/zinc/18/68/52/165186852.db2.gz UANVVBSWPBGRAR-TZMCWYRMSA-N 0 0 337.424 0.899 10 0 ECAERN CCn1c(N)c(C(=O)CN2CCO[C@H]3CCCC[C@H]32)c(=O)[nH]c1=O ZINC000253613171 165210188 /nfs/dbraw/zinc/21/01/88/165210188.db2.gz YBMBGUYFPBOZDF-PWSUYJOCSA-N 0 0 336.392 0.377 10 0 ECAERN NC(=O)[C@H]1CCCN(C(=O)CN2CC[NH2+]C[C@H]2c2cccc(F)c2)C1 ZINC000261614703 165215101 /nfs/dbraw/zinc/21/51/01/165215101.db2.gz CIQKMGWVWQSBBS-HOCLYGCPSA-N 0 0 348.422 0.496 10 0 ECAERN CN(C)CC(=O)Nc1ccc(NC(=O)[C@@H]([NH3+])C2CCOCC2)cc1 ZINC000261678199 165225739 /nfs/dbraw/zinc/22/57/39/165225739.db2.gz GSLQSPCAYWLSSA-INIZCTEOSA-N 0 0 334.420 0.879 10 0 ECAERN [NH3+]C1(C(=O)N2CCN(C(=O)Cc3ccccc3F)CC2)CCOCC1 ZINC000261936325 165265587 /nfs/dbraw/zinc/26/55/87/165265587.db2.gz WXYIIYVWRLQJDK-UHFFFAOYSA-N 0 0 349.406 0.547 10 0 ECAERN C[C@H]1OCCN[C@@H]1C(=O)N1CCN(Cc2nccn2C(F)F)CC1 ZINC000262060757 165284353 /nfs/dbraw/zinc/28/43/53/165284353.db2.gz AWVXWCSVZBMZIF-YPMHNXCESA-N 0 0 343.378 0.299 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NS(=O)(=O)N2CCC[C@@H](C)C2)C1 ZINC000262474297 165353389 /nfs/dbraw/zinc/35/33/89/165353389.db2.gz PHIPZXSPXHQICN-PNESKVBLSA-N 0 0 333.454 0.490 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)c2ccc(-n3cnnn3)cc2)C1 ZINC000262727538 165377966 /nfs/dbraw/zinc/37/79/66/165377966.db2.gz TXFIBVOGNJJBLF-UHFFFAOYSA-N 0 0 344.375 0.330 10 0 ECAERN CCN1CCO[C@H](C(=O)NC2CC([N@@H+](CC(=O)[O-])CC3CC3)C2)C1 ZINC000262732957 165379447 /nfs/dbraw/zinc/37/94/47/165379447.db2.gz VAGXPVZVJSQFLS-NRXISQOPSA-N 0 0 339.436 0.151 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)c2cn(-c3ccccc3)nn2)C1 ZINC000262741365 165380344 /nfs/dbraw/zinc/38/03/44/165380344.db2.gz WMCIZXSVBCWEFW-UHFFFAOYSA-N 0 0 343.387 0.935 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)c2cnn(-c3cccnc3)c2)C1 ZINC000262741348 165380362 /nfs/dbraw/zinc/38/03/62/165380362.db2.gz WLJHIPYQPSHXAB-UHFFFAOYSA-N 0 0 343.387 0.935 10 0 ECAERN O=C(Cc1ccc2n[nH]cc2c1)N1CCC[C@H]1Cn1cc(CO)nn1 ZINC000299745541 296881204 /nfs/dbraw/zinc/88/12/04/296881204.db2.gz QZAPCMSJAIBDSC-HNNXBMFYSA-N 0 0 340.387 0.880 10 0 ECAERN CCCC(=O)N[C@@H]1CCCN(c2ncccc2S(N)(=O)=O)C1 ZINC000301544968 296888381 /nfs/dbraw/zinc/88/83/81/296888381.db2.gz DDZMPWQTDHKRBC-LLVKDONJSA-N 0 0 326.422 0.614 10 0 ECAERN CCn1ncc2ccc(NC(=O)C(=O)N3CCC[C@@H]3C(=O)NC)cc21 ZINC000166721553 226168643 /nfs/dbraw/zinc/16/86/43/226168643.db2.gz NKIZALUTXZXJJD-CYBMUJFWSA-N 0 0 343.387 0.732 10 0 ECAERN Cc1nc(N[C@@H]2CCCN(c3ccnn3C)C2=O)nc(N(C)C)n1 ZINC000170611240 226655113 /nfs/dbraw/zinc/65/51/13/226655113.db2.gz WQIACEIBGNKREG-LLVKDONJSA-N 0 0 330.396 0.587 10 0 ECAERN CCc1c(C(=O)NC[C@H](O)CN2CCOCC2)[nH]c(C)c1C(C)=O ZINC000122611014 222124279 /nfs/dbraw/zinc/12/42/79/222124279.db2.gz UMNVAQQSPLVAQH-ZDUSSCGKSA-N 0 0 337.420 0.511 10 0 ECAERN Cn1nccc1CN1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000122706401 222141877 /nfs/dbraw/zinc/14/18/77/222141877.db2.gz AJWFFVSHPFDUQO-KRWDZBQOSA-N 0 0 330.432 0.978 10 0 ECAERN CCOc1ccnc(N2CCN(Cc3nnc(CC)n3C)CC2)n1 ZINC000171594899 227160832 /nfs/dbraw/zinc/16/08/32/227160832.db2.gz VVJPRMKVFDZEHZ-UHFFFAOYSA-N 0 0 331.424 0.888 10 0 ECAERN CCc1noc([C@H](C)N2CCN(S(=O)(=O)N(C)CC)CC2)n1 ZINC000173507496 263148991 /nfs/dbraw/zinc/14/89/91/263148991.db2.gz WNNNODOTNOLROV-NSHDSACASA-N 0 0 331.442 0.507 10 0 ECAERN CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NC[C@@H]1CN2CCN1CC2 ZINC000178970755 263155569 /nfs/dbraw/zinc/15/55/69/263155569.db2.gz WXTRTELSGRHGQC-ZIAGYGMSSA-N 0 0 338.452 0.502 10 0 ECAERN CC(=O)NC1CN(C(=O)N[C@@H](C)c2ccc(-n3cncn3)cc2)C1 ZINC000189730597 263163811 /nfs/dbraw/zinc/16/38/11/263163811.db2.gz WXQMCKIZDIBDJQ-NSHDSACASA-N 0 0 328.376 0.858 10 0 ECAERN C[C@@H]1NC(=O)CC[C@H]1NS(=O)(=O)c1cncc(Br)c1 ZINC000282523579 264049010 /nfs/dbraw/zinc/04/90/10/264049010.db2.gz LYPFDNZTDABDKU-OIBJUYFYSA-N 0 0 348.222 0.790 10 0 ECAERN O=C(c1ccoc1Br)N1CC[C@@](O)(c2cn[nH]n2)C1 ZINC000284552224 264226938 /nfs/dbraw/zinc/22/69/38/264226938.db2.gz HUIXRDWMYHVMNC-NSHDSACASA-N 0 0 327.138 0.894 10 0 ECAERN CO[C@H]1C[C@@H](C(N)=O)N(C(=O)Cn2ccc3ccccc3c2=O)C1 ZINC000285004797 264267752 /nfs/dbraw/zinc/26/77/52/264267752.db2.gz YULMQBSXTMITKH-JSGCOSHPSA-N 0 0 329.356 0.103 10 0 ECAERN COc1ncccc1C(=O)N[C@@H]1CCC(=O)N[C@H]1c1cncn1C ZINC000285091327 264277668 /nfs/dbraw/zinc/27/76/68/264277668.db2.gz FSHPYVXMCZPLNW-BXUZGUMPSA-N 0 0 329.360 0.573 10 0 ECAERN NC(=O)[C@@]1(O)CCCN(C(=O)Cc2cccc(Br)c2)C1 ZINC000285756443 264338032 /nfs/dbraw/zinc/33/80/32/264338032.db2.gz ZQCCKZALMDEZDS-CQSZACIVSA-N 0 0 341.205 0.830 10 0 ECAERN CC(=O)O[C@H]1O[C@H](C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000002545110 278222059 /nfs/dbraw/zinc/22/20/59/278222059.db2.gz QZQMGQQOGJIDKJ-ZTRKCMPHSA-N 0 0 332.305 0.089 10 0 ECAERN CN1CCO[C@@H](CNS(=O)(=O)CCc2ccc3c(c2)CCO3)C1 ZINC000189425572 437600171 /nfs/dbraw/zinc/60/01/71/437600171.db2.gz UZOMMSVGRHOCEM-HNNXBMFYSA-N 0 0 340.445 0.414 10 0 ECAERN Cc1cc(F)ccc1-n1ccc(C(=O)N2CCOC[C@H]2C(N)=O)n1 ZINC000180778930 278699787 /nfs/dbraw/zinc/69/97/87/278699787.db2.gz JPISYNHOHIPGHU-AWEZNQCLSA-N 0 0 332.335 0.646 10 0 ECAERN C[C@@H]1OCC[C@H]1NC(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000125628163 279052068 /nfs/dbraw/zinc/05/20/68/279052068.db2.gz JIPPGWVZKVVQCZ-UONOGXRCSA-N 0 0 334.424 0.075 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)N[C@H](C)c2nnc3ccccn32)CC1 ZINC000184760872 280205454 /nfs/dbraw/zinc/20/54/54/280205454.db2.gz BUUHHSIMTFXOJA-ZIAGYGMSSA-N 0 0 346.435 0.888 10 0 ECAERN O=C(NC1CN(C(=O)c2c[nH]c(=O)c(Br)c2)C1)C1CC1 ZINC000189505776 437605623 /nfs/dbraw/zinc/60/56/23/437605623.db2.gz VVRFNKVZXVACCI-UHFFFAOYSA-N 0 0 340.177 0.488 10 0 ECAERN CC(C)CC(=O)N[C@H](C(=O)N1CCN(C[C@H](C)O)CC1)C(C)C ZINC000189709741 437606699 /nfs/dbraw/zinc/60/66/99/437606699.db2.gz ULDNQNLCDWDYMM-HOCLYGCPSA-N 0 0 327.469 0.698 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)N[C@@H](C)CN1CCOCC1)CC2 ZINC000114928248 288637019 /nfs/dbraw/zinc/63/70/19/288637019.db2.gz UADWCKZSJFAPST-QWHCGFSZSA-N 0 0 336.440 0.175 10 0 ECAERN CN1C(=O)C[C@@H](C(=O)NCC(C)(C)C(N)=O)[C@H]1c1ccc(F)cc1 ZINC000154995285 289819926 /nfs/dbraw/zinc/81/99/26/289819926.db2.gz AYIMAWWGWGBGHR-TZMCWYRMSA-N 0 0 335.379 0.973 10 0 ECAERN O=C(Nc1cnn(Cc2ccncc2)c1)C(=O)N1CCC[C@H]1CO ZINC000189924964 437614951 /nfs/dbraw/zinc/61/49/51/437614951.db2.gz HCSMGRHPFFAJAW-AWEZNQCLSA-N 0 0 329.360 0.248 10 0 ECAERN NS(=O)(=O)c1ncc(OC2CC2)cc1I ZINC000095734474 295291389 /nfs/dbraw/zinc/29/13/89/295291389.db2.gz HLBIJZDOWVMNTE-UHFFFAOYSA-N 0 0 340.142 0.875 10 0 ECAERN CC(C)[C@@H]1N(C(=O)N[C@@H]2CCc3nnnn3CC2)C[C@@]12CCCO2 ZINC000333237179 297120257 /nfs/dbraw/zinc/12/02/57/297120257.db2.gz AHRAZVAYBMNASC-INWMFGNUSA-N 0 0 334.424 0.977 10 0 ECAERN O=C(NC[C@H]1CCCO1)[C@@H]1CC(=O)C[C@@H]1C(=O)NC[C@@H]1CCCO1 ZINC000333363001 297127990 /nfs/dbraw/zinc/12/79/90/297127990.db2.gz UQYWOJMABXQTAD-NMWPEEMBSA-N 0 0 338.404 0.172 10 0 ECAERN O=C(CN1c2ccccc2CCCC1=O)N1CCN2C(=O)N=NC2C1 ZINC000333512550 297139021 /nfs/dbraw/zinc/13/90/21/297139021.db2.gz FKVPDMRRZRMYNN-UHFFFAOYSA-N 0 0 341.371 0.695 10 0 ECAERN CCn1nccc1N1CCC[C@H](NC(=O)N2C[C@@H](C)C[C@H](O)C2)C1=O ZINC000333571638 297142528 /nfs/dbraw/zinc/14/25/28/297142528.db2.gz ITAJIHYUKUQZJT-IHRRRGAJSA-N 0 0 349.435 0.811 10 0 ECAERN CO[C@@H]1COC[C@@H]1N1CCN(S(C)(=O)=O)c2ccccc2C1 ZINC000333649224 297146479 /nfs/dbraw/zinc/14/64/79/297146479.db2.gz DRDZDNDLXCVNRR-LSDHHAIUSA-N 0 0 326.418 0.682 10 0 ECAERN CCS(=O)(=O)C1CN(C(=O)[C@H]2COCCN2CC2CCC2)C1 ZINC000333954163 297156851 /nfs/dbraw/zinc/15/68/51/297156851.db2.gz FAGQLPFHKHKLLR-CQSZACIVSA-N 0 0 330.450 0.133 10 0 ECAERN CCN1C(=O)CC[C@H](C(=O)N2CCC[C@H](O)C2)[C@H]1c1cnn(C)c1 ZINC000346603577 298304050 /nfs/dbraw/zinc/30/40/50/298304050.db2.gz IECSCPJHSUTCDI-OFQRWUPVSA-N 0 0 334.420 0.703 10 0 ECAERN C[C@H]1CN([C@H](CNS(=O)(=O)N(C)C)c2cccs2)CCO1 ZINC000248369001 300293369 /nfs/dbraw/zinc/29/33/69/300293369.db2.gz VULPOQFZDWVFQI-NWDGAFQWSA-N 0 0 333.479 0.906 10 0 ECAERN C[C@@H]1CN(C(=O)[C@H](NC(N)=O)C(C)(C)C)C[C@H]1N1CCOCC1 ZINC000367398533 300613726 /nfs/dbraw/zinc/61/37/26/300613726.db2.gz IJTBEYMGDSXELS-UPJWGTAASA-N 0 0 326.441 0.249 10 0 ECAERN COC(=O)C1=NNC(C(=O)OC)=C2COC3(CCCCC3)OC[C@H]12 ZINC000003905082 435977492 /nfs/dbraw/zinc/97/74/92/435977492.db2.gz BBZPAJWAPNONQU-JTQLQIEISA-N 0 0 338.360 0.869 10 0 ECAERN C[C@H](NC(=O)C(=O)Nc1ccc(-n2cccn2)nc1)[C@H]1CCCO1 ZINC000071066929 436004869 /nfs/dbraw/zinc/00/48/69/436004869.db2.gz SAKFHPFZTCTJSJ-WCQYABFASA-N 0 0 329.360 0.890 10 0 ECAERN CO[C@H]1C[C@H](C(=O)N[C@H]2CCO[C@H](C(C)C)C2)N(S(C)(=O)=O)C1 ZINC000370497345 300834954 /nfs/dbraw/zinc/83/49/54/300834954.db2.gz BAJQKOGNTOFXGH-FQUUOJAGSA-N 0 0 348.465 0.355 10 0 ECAERN CC(=O)OC[C@H]1S[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000017004802 436098618 /nfs/dbraw/zinc/09/86/18/436098618.db2.gz BWZCFHIQGLRFLH-FDYHWXHSSA-N 0 0 334.346 0.418 10 0 ECAERN CC(=O)N1CSC[C@@H]1C(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000371815317 300944170 /nfs/dbraw/zinc/94/41/70/300944170.db2.gz SFRAJIMHHUTPIX-MRVWCRGKSA-N 0 0 327.450 0.087 10 0 ECAERN C[C@H](CNC(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12)N1CCOCC1 ZINC000377356496 301343262 /nfs/dbraw/zinc/34/32/62/301343262.db2.gz APGYBEXTUAEFSO-TYNCELHUSA-N 0 0 327.450 0.277 10 0 ECAERN COC(=O)c1ncn([C@H]2O[C@H](COC(C)=O)[C@@H]3OC(C)(C)O[C@H]32)n1 ZINC000077301469 436231848 /nfs/dbraw/zinc/23/18/48/436231848.db2.gz QEPMHZGGDGDYIX-KLBPJQLPSA-N 0 0 341.320 0.045 10 0 in-vitro ECAERN O=C(CCc1cc2ccccc2[nH]c1=O)N[C@H]1CCS(=O)(=O)C1 ZINC000041185592 436270815 /nfs/dbraw/zinc/27/08/15/436270815.db2.gz PCRSWOLBFRVJSE-ZDUSSCGKSA-N 0 0 334.397 0.764 10 0 ECAERN O=C1NC(=O)[C@]2(CCN(S(=O)(=O)c3cccc(Cl)c3)C2)N1 ZINC000084796523 436385879 /nfs/dbraw/zinc/38/58/79/436385879.db2.gz GQDPASKFXQDBDN-GFCCVEGCSA-N 0 0 329.765 0.313 10 0 ECAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@H](C)CN1CCOCC1 ZINC000087037634 436395996 /nfs/dbraw/zinc/39/59/96/436395996.db2.gz CSOZDFTYCLTZNN-OLZOCXBDSA-N 0 0 336.440 0.695 10 0 ECAERN NC(=O)[C@H]1COCCN1Cc1nc(COc2ccc(F)cc2)no1 ZINC000092228762 436468960 /nfs/dbraw/zinc/46/89/60/436468960.db2.gz YTVSADOCWAUMCC-GFCCVEGCSA-N 0 0 336.323 0.474 10 0 ECAERN NC(=O)Cn1ccnc1[C@H]1CCCN(C(=O)CCCc2cn[nH]c2)C1 ZINC000095504518 436498568 /nfs/dbraw/zinc/49/85/68/436498568.db2.gz DBEADHQZMHLRNA-AWEZNQCLSA-N 0 0 344.419 0.820 10 0 ECAERN CC(C)(CNC(=O)CN1CCO[C@H]2CCCC[C@@H]21)N1CCOCC1 ZINC000051994479 436500940 /nfs/dbraw/zinc/50/09/40/436500940.db2.gz WEZDEJZQPDVBQP-HOTGVXAUSA-N 0 0 339.480 0.857 10 0 ECAERN C[C@H]1CN(C(=O)CN2CCCN(c3cccnn3)CC2)C[C@H](C)O1 ZINC000105799040 436577469 /nfs/dbraw/zinc/57/74/69/436577469.db2.gz VYSNEGWRGKKWRC-GJZGRUSLSA-N 0 0 333.436 0.625 10 0 ECAERN C[C@@H](C(=O)NC(=O)NC1CC1)N1CCC(N(C)c2cccnn2)CC1 ZINC000105806702 436577580 /nfs/dbraw/zinc/57/75/80/436577580.db2.gz SXOYCTCQBUUGFV-LBPRGKRZSA-N 0 0 346.435 0.754 10 0 ECAERN CCOC(=O)[C@H]1C(=O)CC[C@@H](C(=O)OC)N1C(=O)c1ccccc1 ZINC000102199905 436552175 /nfs/dbraw/zinc/55/21/75/436552175.db2.gz XIULBHYZFMPXCG-GXTWGEPZSA-N 0 0 333.340 0.965 10 0 ECAERN CC1(C)O[C@@H]2[C@@H](CO)O[C@@H](n3cnc4c3NC(C)(C)NC4=O)[C@H]2O1 ZINC000103557283 436556029 /nfs/dbraw/zinc/55/60/29/436556029.db2.gz DAXMFWLPRKEFFI-SQFXPHBZSA-N 0 0 338.364 0.184 10 0 in-vitro ECAERN Cc1cc(CN2CCN(C(=O)NC[C@H]3CN(C)CCO3)CC2)on1 ZINC000104799282 436562226 /nfs/dbraw/zinc/56/22/26/436562226.db2.gz HSYNHUOUBZVHCH-HNNXBMFYSA-N 0 0 337.424 0.141 10 0 ECAERN CN1CCO[C@H](CNC(=O)NCCN2C(=O)Cc3ccccc32)C1 ZINC000104794981 436562567 /nfs/dbraw/zinc/56/25/67/436562567.db2.gz LACONFBPGOJWQM-CQSZACIVSA-N 0 0 332.404 0.206 10 0 ECAERN COc1ccccc1N1CCN(C(=O)NC[C@@H]2CN(C)CCO2)CC1 ZINC000104799634 436563568 /nfs/dbraw/zinc/56/35/68/436563568.db2.gz NVOPDXVPXNNOLZ-OAHLLOKOSA-N 0 0 348.447 0.857 10 0 ECAERN CN(Cc1ccccc1)C(=O)CNC(=O)NC[C@@H]1CN(C)CCO1 ZINC000104788827 436564411 /nfs/dbraw/zinc/56/44/11/436564411.db2.gz SDDLJEOXXSLYCK-OAHLLOKOSA-N 0 0 334.420 0.275 10 0 ECAERN CCN1CCN(CC(=O)N2CCC[C@H](n3cc(C)cn3)C2)C(=O)C1=O ZINC000105859496 436581966 /nfs/dbraw/zinc/58/19/66/436581966.db2.gz RNICNSIBHXRMFO-AWEZNQCLSA-N 0 0 347.419 0.046 10 0 ECAERN Cc1cc(NC(=O)CN2CCCN(Cc3cnn(C)c3)CC2)n(C)n1 ZINC000105869568 436583997 /nfs/dbraw/zinc/58/39/97/436583997.db2.gz LLTFXTTYTGNCGU-UHFFFAOYSA-N 0 0 345.451 0.608 10 0 ECAERN COC(=O)CNC(=O)CN1CCN(c2nc3cc(C)ccc3o2)CC1 ZINC000105911569 436585665 /nfs/dbraw/zinc/58/56/65/436585665.db2.gz MGZHVWGIYDNQRD-UHFFFAOYSA-N 0 0 346.387 0.547 10 0 ECAERN COc1ccc(C(=O)[N-]C(=O)C[N@@H+]2CCC[C@H](n3cncn3)C2)cc1 ZINC000105898301 436586727 /nfs/dbraw/zinc/58/67/27/436586727.db2.gz ULQNUSZNAKMINR-AWEZNQCLSA-N 0 0 343.387 0.880 10 0 ECAERN COc1ncccc1CNC(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111814923 436632672 /nfs/dbraw/zinc/63/26/72/436632672.db2.gz NEJMOGDMSVFGLT-CQSZACIVSA-N 0 0 331.376 0.897 10 0 ECAERN O=C(N[C@@H]1CCc2ncnn2C1)C(=O)c1cnn(-c2ccccc2)c1 ZINC000113884228 436638412 /nfs/dbraw/zinc/63/84/12/436638412.db2.gz NFVPIUPPABIERK-CYBMUJFWSA-N 0 0 336.355 0.778 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)N1CCC(CC(N)=O)CC1)CC2 ZINC000114931986 436645262 /nfs/dbraw/zinc/64/52/62/436645262.db2.gz BZOTZSIXVVKCQR-LBPRGKRZSA-N 0 0 334.424 0.452 10 0 ECAERN CCS(=O)(=O)CC(=O)N1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC000116772579 436651677 /nfs/dbraw/zinc/65/16/77/436651677.db2.gz VIRXPFSHSKILHX-ZDUSSCGKSA-N 0 0 328.438 0.568 10 0 ECAERN CN(C)C[C@H]1CN(C(=O)CCS(=O)(=O)C2CCCC2)CCO1 ZINC000116793468 436652855 /nfs/dbraw/zinc/65/28/55/436652855.db2.gz ZIICBMOUPJUAAY-ZDUSSCGKSA-N 0 0 332.466 0.523 10 0 ECAERN CCn1c(N)c(C(=O)CN2CCC[C@@H]2c2ccco2)c(=O)[nH]c1=O ZINC000116291464 436649834 /nfs/dbraw/zinc/64/98/34/436649834.db2.gz PONIQHRJJXRAML-SNVBAGLBSA-N 0 0 332.360 0.752 10 0 ECAERN Cc1noc(C)c1CC(=O)N1CC[C@@H](n2c(=O)[nH]c3cncnc32)C1 ZINC000065256764 436654685 /nfs/dbraw/zinc/65/46/85/436654685.db2.gz CCKKUFMDFXJMNB-LLVKDONJSA-N 0 0 342.359 0.741 10 0 ECAERN C[C@@H](NC(=O)N1CCN(CCS(N)(=O)=O)CC1)c1cccs1 ZINC000195499552 436693351 /nfs/dbraw/zinc/69/33/51/436693351.db2.gz NENSLQSLLHJYRY-LLVKDONJSA-N 0 0 346.478 0.425 10 0 ECAERN Cc1nn(C)c(C)c1OCC(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000151012003 436694252 /nfs/dbraw/zinc/69/42/52/436694252.db2.gz NABVNYLEMUDHNF-SWLSCSKDSA-N 0 0 336.436 0.595 10 0 ECAERN O=C(Nc1cccnc1Br)C(=O)N1CCC[C@H]1CO ZINC000121004425 436705446 /nfs/dbraw/zinc/70/54/46/436705446.db2.gz BPMSTPCWCSMBNZ-QMMMGPOBSA-N 0 0 328.166 0.766 10 0 ECAERN C[C@@H](CNC(=O)Cn1cnc(-c2ccccc2)n1)N1CCOCC1 ZINC000121293319 436711383 /nfs/dbraw/zinc/71/13/83/436711383.db2.gz ZVSSOCLHWRLMML-AWEZNQCLSA-N 0 0 329.404 0.782 10 0 ECAERN C[C@H](CNC(=O)Cn1cnc(-c2ccccc2)n1)N1CCOCC1 ZINC000121293478 436712060 /nfs/dbraw/zinc/71/20/60/436712060.db2.gz ZVSSOCLHWRLMML-CQSZACIVSA-N 0 0 329.404 0.782 10 0 ECAERN CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N[C@@H]2CCc3ncnn3C2)C1 ZINC000151891693 436715340 /nfs/dbraw/zinc/71/53/40/436715340.db2.gz WYLWMNMABTYMAH-VXGBXAGGSA-N 0 0 335.408 0.966 10 0 ECAERN CC1=C(C(=O)N2CCN(c3ccc4nncn4n3)CC2)CCCO1 ZINC000152494927 436731823 /nfs/dbraw/zinc/73/18/23/436731823.db2.gz OPFVMSOPAMCDFT-UHFFFAOYSA-N 0 0 328.376 0.857 10 0 ECAERN Cc1ccccc1CC(=O)N1CCN(C(=O)[C@H]2COCCN2)CC1 ZINC000237712422 436743139 /nfs/dbraw/zinc/74/31/39/436743139.db2.gz CVDSUROPOHVGRA-MRXNPFEDSA-N 0 0 331.416 0.197 10 0 ECAERN Cc1cnn(Cc2cc(C(=O)N3CC[C@@H](N4CCOCC4)C3)no2)c1 ZINC000153740185 436762601 /nfs/dbraw/zinc/76/26/01/436762601.db2.gz BDCYAZQJRZMWOP-CQSZACIVSA-N 0 0 345.403 0.775 10 0 ECAERN Cn1ccnc1-c1csc(NC(=O)C(=O)N[C@H]2CCCC[C@H]2O)n1 ZINC000127871791 436808773 /nfs/dbraw/zinc/80/87/73/436808773.db2.gz NSCPKDMSHSTEAU-GXSJLCMTSA-N 0 0 349.416 0.902 10 0 ECAERN COC(=O)C1(C(=O)N2CCCN(Cc3noc(C4CC4)n3)CC2)CC1 ZINC000128272631 436814038 /nfs/dbraw/zinc/81/40/38/436814038.db2.gz VOFNQVPMDZVHQF-UHFFFAOYSA-N 0 0 348.403 0.935 10 0 ECAERN O=C(CCC(=O)N1CCC(Cn2cccn2)CC1)N1CCOCC1 ZINC000126207927 436783849 /nfs/dbraw/zinc/78/38/49/436783849.db2.gz GGCAJYUNASFTRB-UHFFFAOYSA-N 0 0 334.420 0.761 10 0 ECAERN CCCCCS(=O)(=O)CC(=O)N1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000246685169 436784302 /nfs/dbraw/zinc/78/43/02/436784302.db2.gz JAICANGUWVRXNM-KGLIPLIRSA-N 0 0 334.482 0.505 10 0 ECAERN COC[C@@H](C)S(=O)(=O)N1CCO[C@H](Cn2nc(C)cc2C)C1 ZINC000246725960 436785033 /nfs/dbraw/zinc/78/50/33/436785033.db2.gz OVWFWHNJYRXHBK-KGLIPLIRSA-N 0 0 331.438 0.565 10 0 ECAERN Cc1cnn(C[C@H]2CN(C(=O)CNC(=O)c3cccnc3)CCO2)c1 ZINC000126489046 436788177 /nfs/dbraw/zinc/78/81/77/436788177.db2.gz PCDUYGCAKXFWLW-OAHLLOKOSA-N 0 0 343.387 0.244 10 0 ECAERN Cc1ccc(F)cc1NC(=O)C(=O)N1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000247074986 436789096 /nfs/dbraw/zinc/78/90/96/436789096.db2.gz OWZQBCKQEYBHIJ-OLZOCXBDSA-N 0 0 337.395 0.986 10 0 ECAERN O=C(NCCN1C(=O)CCC1=O)N1CCC(Cn2cccn2)CC1 ZINC000126592584 436789201 /nfs/dbraw/zinc/78/92/01/436789201.db2.gz XNACQRBXLWHVJA-UHFFFAOYSA-N 0 0 333.392 0.454 10 0 ECAERN Cn1cc(C(N)=O)cc1C(=O)N[C@@H]1CCCN(c2cccnn2)C1 ZINC000155264638 436793436 /nfs/dbraw/zinc/79/34/36/436793436.db2.gz IHLBZUOUXUDFSE-GFCCVEGCSA-N 0 0 328.376 0.313 10 0 ECAERN CC(=O)N1CCOC[C@@H]1C(=O)NCc1nc2cccc(C)c2n1C ZINC000155419997 436794602 /nfs/dbraw/zinc/79/46/02/436794602.db2.gz RCBMOTWZJHBBFN-CQSZACIVSA-N 0 0 330.388 0.745 10 0 ECAERN Cc1noc([C@H]2COCCN2C(=O)c2ccc3c(c2)nnn3C)n1 ZINC000155412912 436795352 /nfs/dbraw/zinc/79/53/52/436795352.db2.gz MINXWYFBFIBCMZ-CYBMUJFWSA-N 0 0 328.332 0.873 10 0 ECAERN O=C(CNC(=O)c1ccccc1)N1CCC[C@H](Cn2cncn2)C1 ZINC000127054827 436796615 /nfs/dbraw/zinc/79/66/15/436796615.db2.gz ANILZRSHVYVQIW-AWEZNQCLSA-N 0 0 327.388 0.947 10 0 ECAERN CC[C@H]1CN(C(=O)NC[C@@H]2CN(C)CCO2)CCN1CC(F)F ZINC000127472849 436801333 /nfs/dbraw/zinc/80/13/33/436801333.db2.gz WWTMPAZRSGMLJS-QWHCGFSZSA-N 0 0 334.411 0.688 10 0 ECAERN N#CC(=NNc1ccc(S(=O)(=O)N2CCCCC2)cc1)C(N)=O ZINC000254853978 436850224 /nfs/dbraw/zinc/85/02/24/436850224.db2.gz MDCVYAWWDSJNGB-UHFFFAOYSA-N 0 0 335.389 0.638 10 0 ECAERN COc1ccc(C(=O)N2CCC[C@@H](CO)CCNC(=O)CC2)cn1 ZINC000257178590 436857216 /nfs/dbraw/zinc/85/72/16/436857216.db2.gz BXLZOSCMZJDONW-CYBMUJFWSA-N 0 0 335.404 0.831 10 0 ECAERN COC[C@@H]1CN(c2cnccn2)C[C@H]1C(=O)NCc1cc(C)nn1C ZINC000257181613 436857332 /nfs/dbraw/zinc/85/73/32/436857332.db2.gz FRUWWYMTIVADRP-DZGCQCFKSA-N 0 0 344.419 0.534 10 0 ECAERN Cn1ncc(C(=O)NC[C@H]2CCC[C@H]2O)c1I ZINC000293283550 436862580 /nfs/dbraw/zinc/86/25/80/436862580.db2.gz IGICSGZULWIDAA-VXNVDRBHSA-N 0 0 349.172 0.916 10 0 ECAERN Cn1ncc(C(=O)NC[C@@H]2CCC[C@@H]2O)c1I ZINC000293283539 436863191 /nfs/dbraw/zinc/86/31/91/436863191.db2.gz IGICSGZULWIDAA-CBAPKCEASA-N 0 0 349.172 0.916 10 0 ECAERN O=S(=O)(CCNc1noc(-c2ccccc2)n1)N1CCOCC1 ZINC000157304399 436826586 /nfs/dbraw/zinc/82/65/86/436826586.db2.gz HIVILTCIAMMRRC-UHFFFAOYSA-N 0 0 338.389 0.811 10 0 ECAERN O=S(=O)(Cc1c(F)cccc1F)N[C@H]1CCc2ncnn2C1 ZINC000162766350 436912604 /nfs/dbraw/zinc/91/26/04/436912604.db2.gz MZZODUGOFWSAKC-VIFPVBQESA-N 0 0 328.344 0.991 10 0 ECAERN CC(C)CS(=O)(=O)CC(=O)N[C@H]1CCCN(c2cccnn2)C1 ZINC000135279763 436912640 /nfs/dbraw/zinc/91/26/40/436912640.db2.gz ANZLEGAOUKBIHE-ZDUSSCGKSA-N 0 0 340.449 0.632 10 0 ECAERN Cc1oc2[nH]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)N[C@H](C)CO ZINC000135611912 436921389 /nfs/dbraw/zinc/92/13/89/436921389.db2.gz QQKTZJKJRDJIAC-SECBINFHSA-N 0 0 343.339 0.691 10 0 ECAERN CCc1n[nH]c(=O)c(C(=O)N2CC[C@@H](N3CCOCC3)C2)c1CC ZINC000135908194 436924877 /nfs/dbraw/zinc/92/48/77/436924877.db2.gz NUQCTFWFTIMVPG-GFCCVEGCSA-N 0 0 334.420 0.441 10 0 ECAERN O=C(NCCn1ccnc1)[C@H]1CCC[C@@H]1C(=O)NCCn1ccnc1 ZINC000135883421 436924901 /nfs/dbraw/zinc/92/49/01/436924901.db2.gz GANQDFSOTIVYRO-GJZGRUSLSA-N 0 0 344.419 0.429 10 0 ECAERN CCN1CCO[C@H](CNc2cnn(C)c(=O)c2Br)C1 ZINC000134580781 436900856 /nfs/dbraw/zinc/90/08/56/436900856.db2.gz AZKTXXKFGRWXQW-SECBINFHSA-N 0 0 331.214 0.675 10 0 ECAERN C[C@H]1OCC[C@H]1S(=O)(=O)NC1CC([N@@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263509005 436970116 /nfs/dbraw/zinc/97/01/16/436970116.db2.gz WWGMMHIFVBTWCM-WKIYYKSKSA-N 0 0 346.449 0.411 10 0 ECAERN C[C@@H](NC(=O)Nc1ccccc1)C(=O)N(C)CCN1CCOCC1 ZINC000171418465 436978351 /nfs/dbraw/zinc/97/83/51/436978351.db2.gz WROWOEGASAYTEN-CQSZACIVSA-N 0 0 334.420 0.987 10 0 ECAERN CCS(=O)(=O)NCC(=O)N1CCC[C@H]1c1noc(C(C)C)n1 ZINC000136367259 436931084 /nfs/dbraw/zinc/93/10/84/436931084.db2.gz DEHLXQRLJPTMAI-JTQLQIEISA-N 0 0 330.410 0.796 10 0 ECAERN CN(C(=O)[C@@H]1CCCN(C(N)=O)C1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000136371049 436931430 /nfs/dbraw/zinc/93/14/30/436931430.db2.gz PYKRHCITWCIFPI-ZIAGYGMSSA-N 0 0 346.435 0.695 10 0 ECAERN C[C@H](NC(=O)Nc1ccc(C(N)=O)nc1)c1nnc2n1CCCC2 ZINC000164268846 436931927 /nfs/dbraw/zinc/93/19/27/436931927.db2.gz JTXLXPHBLUTQGF-VIFPVBQESA-N 0 0 329.364 0.991 10 0 ECAERN CS(=O)(=O)Nc1ccc(CNC(=O)[C@@H]2CC(F)(F)CN2)cc1 ZINC000262937655 436944427 /nfs/dbraw/zinc/94/44/27/436944427.db2.gz IMZIIFPFCJXJHN-NSHDSACASA-N 0 0 333.360 0.672 10 0 ECAERN C[N@@H+](CC(=O)[O-])C[C@H]1CN(C(=O)c2cc(F)ccc2F)CCO1 ZINC000262964159 436946023 /nfs/dbraw/zinc/94/60/23/436946023.db2.gz QOZJWWPMVPHZIS-NSHDSACASA-N 0 0 328.315 0.822 10 0 ECAERN Cc1ccc(C(=O)N2CCC(NC(=O)[C@H]3CNC(=O)C3)CC2)cc1 ZINC000170775127 436953702 /nfs/dbraw/zinc/95/37/02/436953702.db2.gz JHQIYFZVGWBECO-CQSZACIVSA-N 0 0 329.400 0.852 10 0 ECAERN COc1ccccc1N1CC[C@H](NC(=O)[C@H]2CC(F)(F)CN2)C1=O ZINC000263237827 436958008 /nfs/dbraw/zinc/95/80/08/436958008.db2.gz OGBRTJRPXDUBGC-WDEREUQCSA-N 0 0 339.342 0.914 10 0 ECAERN COc1cccc([C@@H](O)CNC(=O)N[C@H]2CCc3ncnn3C2)c1 ZINC000172603722 437022695 /nfs/dbraw/zinc/02/26/95/437022695.db2.gz VUOBALWDPMYDRM-JSGCOSHPSA-N 0 0 331.376 0.634 10 0 ECAERN COc1ccccc1[C@@H](O)CNC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000172602293 437022819 /nfs/dbraw/zinc/02/28/19/437022819.db2.gz JXGNTCBSCKVDIY-YPMHNXCESA-N 0 0 331.376 0.634 10 0 ECAERN CCc1cc(C(=O)N[C@@H]2CCCN(c3cc(C)nn3C)C2=O)[nH]n1 ZINC000173067248 437036690 /nfs/dbraw/zinc/03/66/90/437036690.db2.gz RKCRVDYTICJXPZ-GFCCVEGCSA-N 0 0 330.392 0.939 10 0 ECAERN CCCCNC(=O)C1CCN(C(=O)NC[C@H]2CN(C)CCO2)CC1 ZINC000171704559 436986437 /nfs/dbraw/zinc/98/64/37/436986437.db2.gz SWVDTDSFJMRNOH-HNNXBMFYSA-N 0 0 340.468 0.655 10 0 ECAERN CCN1C[C@H](C(=O)N2CCCN(Cc3noc(C)n3)CC2)CC1=O ZINC000171863888 436990037 /nfs/dbraw/zinc/99/00/37/436990037.db2.gz KMWNITYWXCQBAK-CYBMUJFWSA-N 0 0 335.408 0.281 10 0 ECAERN COC(=O)c1ccc(CCNC(=O)N[C@@H]2CCc3ncnn3C2)cc1 ZINC000171866932 436990481 /nfs/dbraw/zinc/99/04/81/436990481.db2.gz QPDJHUHEJFEFLG-CQSZACIVSA-N 0 0 343.387 0.921 10 0 ECAERN CCOCCN1CCN(S(=O)(=O)C[C@@H]2CCOC2)C[C@H]1CC ZINC000172030395 436997284 /nfs/dbraw/zinc/99/72/84/436997284.db2.gz CDNWTEFCWDWHKJ-HUUCEWRRSA-N 0 0 334.482 0.785 10 0 ECAERN COCCN1CCN(C(=O)NCCN2CCOCC2(C)C)C[C@@H]1C ZINC000172335060 437010781 /nfs/dbraw/zinc/01/07/81/437010781.db2.gz FJBUBCNNPBOYGY-HNNXBMFYSA-N 0 0 342.484 0.459 10 0 ECAERN CNC(=O)C1(C(=O)NC[C@@H]2CCCN2c2cc(NC)ncn2)CC1 ZINC000173432621 437050633 /nfs/dbraw/zinc/05/06/33/437050633.db2.gz VPWMDHOGUCSJNB-NSHDSACASA-N 0 0 332.408 0.130 10 0 ECAERN CCN1C[C@H](C(=O)NC[C@H]2CCCN2c2cc(NC)ncn2)CC1=O ZINC000173445664 437051428 /nfs/dbraw/zinc/05/14/28/437051428.db2.gz BAVPCAOEZJJOFA-CHWSQXEVSA-N 0 0 346.435 0.472 10 0 ECAERN NC(=O)COc1cccc(CNC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c1 ZINC000173511495 437054647 /nfs/dbraw/zinc/05/46/47/437054647.db2.gz YLBUDEUZKVLZSQ-OAHLLOKOSA-N 0 0 346.431 0.930 10 0 ECAERN COCCCN(C)C(=O)N[C@@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000173568859 437056504 /nfs/dbraw/zinc/05/65/04/437056504.db2.gz GDIPKWPWVRYPAU-CYBMUJFWSA-N 0 0 337.424 0.902 10 0 ECAERN CCC(CC)[C@@H](C(=O)NC[C@@H](C)N1CCOCC1)N1CCOCC1 ZINC000173067315 437037266 /nfs/dbraw/zinc/03/72/66/437037266.db2.gz QQWJAKDBKHMIPE-WBVHZDCISA-N 0 0 341.496 0.960 10 0 ECAERN CCN1CCO[C@@H](C(=O)N(C)[C@@H]2CCCN(c3cccnn3)C2)C1 ZINC000175005813 437091674 /nfs/dbraw/zinc/09/16/74/437091674.db2.gz VPNYKGDZOYQAOB-HUUCEWRRSA-N 0 0 333.436 0.625 10 0 ECAERN CCCC(=O)NCC(=O)N[C@@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000175010320 437091723 /nfs/dbraw/zinc/09/17/23/437091723.db2.gz MFWHWLARDJDRKF-GFCCVEGCSA-N 0 0 335.408 0.256 10 0 ECAERN COc1ncccc1CNC(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000175661454 437112245 /nfs/dbraw/zinc/11/22/45/437112245.db2.gz CZPMQGDJPWFVIG-ZFWWWQNUSA-N 0 0 334.420 0.952 10 0 ECAERN COc1cc(CNC(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)ccn1 ZINC000175650947 437112526 /nfs/dbraw/zinc/11/25/26/437112526.db2.gz ULNQGXLSXOZCQR-HIFRSBDPSA-N 0 0 334.420 0.952 10 0 ECAERN Cc1nnc([C@H]2CN(C(=O)NCC[S@](=O)C(C)(C)C)CCO2)[nH]1 ZINC000175546663 437108881 /nfs/dbraw/zinc/10/88/81/437108881.db2.gz IGWOBRLYPMSFHM-BGJPBQGDSA-N 0 0 343.453 0.743 10 0 ECAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)[C@@H](C)CS(C)(=O)=O)CCO2)n1 ZINC000176806110 437157847 /nfs/dbraw/zinc/15/78/47/437157847.db2.gz ADSBHURKSBLDCY-FZMZJTMJSA-N 0 0 343.449 0.408 10 0 ECAERN NS(=O)(=O)c1cccnc1N1CCCN(c2cccnn2)CC1 ZINC000301387788 437119499 /nfs/dbraw/zinc/11/94/99/437119499.db2.gz WXGIKIIOCVJXDH-UHFFFAOYSA-N 0 0 334.405 0.236 10 0 ECAERN CC[C@H]1CN(C(=O)C(=O)Nc2nc(C)cs2)CCN1CCOC ZINC000176037614 437127878 /nfs/dbraw/zinc/12/78/78/437127878.db2.gz IFOXYZOSKBNLAL-LBPRGKRZSA-N 0 0 340.449 0.959 10 0 ECAERN NC(=O)c1cccc(OCCC(=O)N[C@@H]2CCc3ncnn3C2)c1 ZINC000176065266 437130678 /nfs/dbraw/zinc/13/06/78/437130678.db2.gz HORRQUHCFFQSGX-GFCCVEGCSA-N 0 0 329.360 0.277 10 0 ECAERN COc1nc(N2CCC[C@@](O)(C(N)=O)C2)ncc1Br ZINC000311984046 437173145 /nfs/dbraw/zinc/17/31/45/437173145.db2.gz OZGPSULNPMFPIV-NSHDSACASA-N 0 0 331.170 0.064 10 0 ECAERN O=C(CCNC(=O)N1CCC[C@@H]1Cn1ccnc1)N1CCOCC1 ZINC000177379239 437181995 /nfs/dbraw/zinc/18/19/95/437181995.db2.gz WZDDHFMGHXZNOB-CQSZACIVSA-N 0 0 335.408 0.306 10 0 ECAERN O=C(CSC[C@H](O)CO)N1CCN(c2ccccc2F)CC1 ZINC000177423008 437182685 /nfs/dbraw/zinc/18/26/85/437182685.db2.gz DTDZCYOTNXEILB-GFCCVEGCSA-N 0 0 328.409 0.561 10 0 ECAERN O=C(CSC[C@H](O)CO)N1CCN(Cc2cccs2)CC1 ZINC000177413283 437183234 /nfs/dbraw/zinc/18/32/34/437183234.db2.gz QQNRNQNJHOQXBM-GFCCVEGCSA-N 0 0 330.475 0.479 10 0 ECAERN CCc1nc(C2(NS(=O)(=O)N(C)CCOC)CCCC2)no1 ZINC000177608002 437191668 /nfs/dbraw/zinc/19/16/68/437191668.db2.gz GROXFULPDOMFAF-UHFFFAOYSA-N 0 0 332.426 0.814 10 0 ECAERN CCOCCN1CCN(C(=O)C(=O)Nc2ccn(C)n2)C[C@H]1CC ZINC000177618891 437192715 /nfs/dbraw/zinc/19/27/15/437192715.db2.gz QOYBDYTZDNAAQO-CYBMUJFWSA-N 0 0 337.424 0.318 10 0 ECAERN Cc1cc(NC(=O)C(=O)N2CCC[C@H]2Cn2ccnc2C)n(C)n1 ZINC000177977119 437204075 /nfs/dbraw/zinc/20/40/75/437204075.db2.gz BCGVRAJQRGRAAD-ZDUSSCGKSA-N 0 0 330.392 0.863 10 0 ECAERN CNC(=O)[C@H](NC(=O)NCCC(=O)N1CCCCCC1)C(C)C ZINC000178419541 437213145 /nfs/dbraw/zinc/21/31/45/437213145.db2.gz SCDASAVMTOTLNV-CQSZACIVSA-N 0 0 326.441 0.849 10 0 ECAERN CNC(=O)[C@H](NC(=O)[C@H]1CCCN(C(=O)c2ccncc2)C1)C(C)C ZINC000178725497 437227598 /nfs/dbraw/zinc/22/75/98/437227598.db2.gz OJZXSUHIPOLTRB-LSDHHAIUSA-N 0 0 346.431 0.821 10 0 ECAERN C[C@@H](NC(=O)C(=O)Nc1cnn(Cc2ccncc2)c1)[C@@H]1CCCO1 ZINC000178777625 437228243 /nfs/dbraw/zinc/22/82/43/437228243.db2.gz QBORVTDDLMKFFI-DOMZBBRYSA-N 0 0 343.387 0.949 10 0 ECAERN C[C@@H](C1CC1)N(C(=O)CN1CCO[C@@H](c2nncn2C)C1)C1CC1 ZINC000328629950 437242614 /nfs/dbraw/zinc/24/26/14/437242614.db2.gz IVMWOOCTHODAOL-SWLSCSKDSA-N 0 0 333.436 0.978 10 0 ECAERN CN(C)C(=O)CCNC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 ZINC000178975468 437246630 /nfs/dbraw/zinc/24/66/30/437246630.db2.gz HOLDLXJRSQIQOK-XJKSGUPXSA-N 0 0 335.379 0.940 10 0 ECAERN O=C(CN1C[C@@H](O)C[C@@H]1CO)Nc1ccc(Br)cn1 ZINC000179169590 437252178 /nfs/dbraw/zinc/25/21/78/437252178.db2.gz HBIHXRPEDNEYSJ-ZJUUUORDSA-N 0 0 330.182 0.210 10 0 ECAERN CCn1ncc2ccc(NC(=O)NC[C@@H](O)CN3CCOCC3)cc21 ZINC000179808113 437275377 /nfs/dbraw/zinc/27/53/77/437275377.db2.gz LZAOLBYASDJJCP-OAHLLOKOSA-N 0 0 347.419 0.871 10 0 ECAERN Cc1ccncc1NC(=O)C(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000180256666 437284893 /nfs/dbraw/zinc/28/48/93/437284893.db2.gz WBQSAOMCNOERMA-HIFRSBDPSA-N 0 0 332.404 0.508 10 0 ECAERN CCCc1cc(NC(=O)C(=O)N2CCC[C@@H](n3cncn3)C2)n(C)n1 ZINC000180723213 437301324 /nfs/dbraw/zinc/30/13/24/437301324.db2.gz DUHVBVUJHDGNPH-CYBMUJFWSA-N 0 0 345.407 0.766 10 0 ECAERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1cc(C2CCCC2)nn1C ZINC000183134929 437374580 /nfs/dbraw/zinc/37/45/80/437374580.db2.gz YSERIIJGEPWLJO-ZDUSSCGKSA-N 0 0 347.419 0.753 10 0 ECAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)N[C@H](C)C[S@](C)=O)CC2 ZINC000181802098 437329963 /nfs/dbraw/zinc/32/99/63/437329963.db2.gz DJOIFQORDLRFKV-AUWXTCHYSA-N 0 0 327.454 0.783 10 0 ECAERN Cc1cc(N2CCC[C@H](NC(=O)NCC3(CO)CCC3)C2=O)n(C)n1 ZINC000181873118 437333971 /nfs/dbraw/zinc/33/39/71/437333971.db2.gz BQXCEASQMBZFFP-ZDUSSCGKSA-N 0 0 349.435 0.686 10 0 ECAERN CCc1ccccc1Nc1nc(N)nc(CN2C[C@H](O)C[C@@H]2CO)n1 ZINC000184715663 437411829 /nfs/dbraw/zinc/41/18/29/437411829.db2.gz VJXOSHUQAZPCNW-CHWSQXEVSA-N 0 0 344.419 0.687 10 0 ECAERN O=C(CN1C[C@@H](O)C[C@@H]1CO)NCc1ccc(OC(F)(F)F)cc1 ZINC000185151547 437426379 /nfs/dbraw/zinc/42/63/79/437426379.db2.gz RYPREOFGXIVDBL-NEPJUHHUSA-N 0 0 348.321 0.629 10 0 ECAERN O=C(CN1C[C@H](O)C[C@@H]1CO)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000185153558 437426843 /nfs/dbraw/zinc/42/68/43/437426843.db2.gz QHVUQCKLVZJCKG-OAGGEKHMSA-N 0 0 338.379 0.153 10 0 ECAERN COCC(=O)NC1CN(C(=O)c2cc(C)nc3c2cnn3C(C)C)C1 ZINC000185226799 437432252 /nfs/dbraw/zinc/43/22/52/437432252.db2.gz HQBVILJWDMOZHW-UHFFFAOYSA-N 0 0 345.403 0.908 10 0 ECAERN COCCN1CCN(C(=O)C(=O)N2CCc3c2cccc3F)C[C@H]1C ZINC000185664701 437447984 /nfs/dbraw/zinc/44/79/84/437447984.db2.gz LIKHCFJQANAUOK-CYBMUJFWSA-N 0 0 349.406 0.894 10 0 ECAERN Cc1ncc(CN2CCN(C(=O)C(=O)Nc3ccon3)CC2)s1 ZINC000186124709 437461346 /nfs/dbraw/zinc/46/13/46/437461346.db2.gz TZFNSGZPWGRNLT-UHFFFAOYSA-N 0 0 335.389 0.722 10 0 ECAERN COCC(=O)NC1CN(C(=O)NC[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000188399194 437546519 /nfs/dbraw/zinc/54/65/19/437546519.db2.gz WTRKVVIXNONZEN-AWEZNQCLSA-N 0 0 346.431 0.669 10 0 ECAERN CN1N=C(C(=O)N2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)CCC1=O ZINC000190586356 437631839 /nfs/dbraw/zinc/63/18/39/437631839.db2.gz IUDXIRPIKDXHIW-OAHLLOKOSA-N 0 0 343.431 0.970 10 0 ECAERN C[C@@H](O)CN1CCN(C(=O)c2cc(Br)nn2C)C[C@@H]1C ZINC000192136078 437669382 /nfs/dbraw/zinc/66/93/82/437669382.db2.gz JFACAGLNRBAMFM-VHSXEESVSA-N 0 0 345.241 0.710 10 0 ECAERN CCCCOC[C@H](O)CN1CCN(CC(=O)N2CCCCC2)CC1 ZINC000193364557 437708209 /nfs/dbraw/zinc/70/82/09/437708209.db2.gz LWXKBLGGFJNMMH-QGZVFWFLSA-N 0 0 341.496 0.794 10 0 ECAERN COCC1(C(=O)N2C[C@H](C(N)=O)[C@@H](c3cnn(C)c3C)C2)CCCC1 ZINC000527580195 439298010 /nfs/dbraw/zinc/29/80/10/439298010.db2.gz PLCGFVLTAALLMF-CABCVRRESA-N 0 0 348.447 0.963 10 0 ECAERN CN(C[C@@H]1C[C@H](F)CN1Cc1cncnc1)C(=O)Cc1cc[nH]n1 ZINC000583622116 439488292 /nfs/dbraw/zinc/48/82/92/439488292.db2.gz PYQLRASFGJMKIX-ZFWWWQNUSA-N 0 0 332.383 0.813 10 0 ECAERN Cn1ccnc1[C@H]1OCC[C@@H]1NC(=O)Cn1nnc2ccccc21 ZINC000583619973 439489880 /nfs/dbraw/zinc/48/98/80/439489880.db2.gz BZPRQICJDFFONM-WFASDCNBSA-N 0 0 326.360 0.811 10 0 ECAERN CS(=O)(=O)CCC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1F ZINC000584641343 439605547 /nfs/dbraw/zinc/60/55/47/439605547.db2.gz RVOAVGBKWOEWOD-ZIAGYGMSSA-N 0 0 328.409 0.760 10 0 ECAERN O=C(N[C@H]1C[C@@H](O)[C@@H]1n1cccn1)c1ccc(N2CCNC2=O)cc1 ZINC000616768976 439821864 /nfs/dbraw/zinc/82/18/64/439821864.db2.gz UCAMJZZLXJUSHS-RRFJBIMHSA-N 0 0 341.371 0.517 10 0 ECAERN CNC(=O)C[C@]1(O)CCCN(Cc2ncnn2-c2ccccc2)C1 ZINC000643818582 440339574 /nfs/dbraw/zinc/33/95/74/440339574.db2.gz QIHLEOLDAYPLOV-QGZVFWFLSA-N 0 0 329.404 0.730 10 0 ECAERN CNC(=O)[C@@]1(COC)CCCN1C(=O)c1cc(-n2cccn2)ccn1 ZINC000643951110 440389483 /nfs/dbraw/zinc/38/94/83/440389483.db2.gz XERUYVFKMDCRNG-KRWDZBQOSA-N 0 0 343.387 0.635 10 0 ECAERN CC(C)Oc1ncccc1C(=O)N1C[C@@H](O)[C@H](Oc2cnn(C)c2)C1 ZINC000628262308 440447685 /nfs/dbraw/zinc/44/76/85/440447685.db2.gz GDVXSLOKZYLGJR-HUUCEWRRSA-N 0 0 346.387 0.867 10 0 ECAERN CCn1cc(S(=O)(=O)NC[C@@H]2CCO[C@H]2c2nccn2C)cn1 ZINC000659999339 440563927 /nfs/dbraw/zinc/56/39/27/440563927.db2.gz ONPBUZAUZHCLSY-WCQYABFASA-N 0 0 339.421 0.693 10 0 ECAERN Cc1nnc2n1C[C@H](C(=O)N1CC=C(c3ccnn3C)CC1)N(C)C2 ZINC000644462171 440605782 /nfs/dbraw/zinc/60/57/82/440605782.db2.gz KPWNPWKAUXFQGP-OAHLLOKOSA-N 0 0 341.419 0.450 10 0 ECAERN O=C(CNC(=O)c1ccc(Br)o1)N[C@H]1CCOC[C@H]1O ZINC000629218789 440633428 /nfs/dbraw/zinc/63/34/28/440633428.db2.gz UWWDGOFIXILMGP-JGVFFNPUSA-N 0 0 347.165 0.038 10 0 ECAERN CCn1ccnc1[C@@H]1OCC[C@H]1CNS(=O)(=O)c1ccnn1C ZINC000657145674 440973486 /nfs/dbraw/zinc/97/34/86/440973486.db2.gz OYMXCUGCIRAWDQ-WCQYABFASA-N 0 0 339.421 0.693 10 0 ECAERN O=C(Cc1cnn2c1CCCC2)N1CCO[C@@H](Cn2cccn2)C1 ZINC000631236284 441028491 /nfs/dbraw/zinc/02/84/91/441028491.db2.gz NALIGAVVTFIAMG-OAHLLOKOSA-N 0 0 329.404 0.886 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)N[C@H](C)CN2CCCC2=O)CC1 ZINC000184921145 320535429 /nfs/dbraw/zinc/53/54/29/320535429.db2.gz HXXHSFDNOPTSBV-ZIAGYGMSSA-N 0 0 326.441 0.095 10 0 ECAERN CC(C)n1cc([C@@]2(O)CCCN(c3nccn4cnnc34)C2)nn1 ZINC000284708638 320632382 /nfs/dbraw/zinc/63/23/82/320632382.db2.gz ZFGGHRNWOYYXJG-OAHLLOKOSA-N 0 0 328.380 0.785 10 0 ECAERN Cn1cc([C@]2(C)CN([C@@H]3CCN(C4CCOCC4)C3=O)CCO2)cn1 ZINC000328682254 320727248 /nfs/dbraw/zinc/72/72/48/320727248.db2.gz VMXVHXKPKXQVCZ-AEFFLSMTSA-N 0 0 348.447 0.747 10 0 ECAERN COCCN1CN(C(=O)CN2c3ccccc3CCCC2=O)CC1=O ZINC000328736840 320730131 /nfs/dbraw/zinc/73/01/31/320730131.db2.gz JYJRTOXJBYNSJF-UHFFFAOYSA-N 0 0 345.399 0.631 10 0 ECAERN C[C@@H]1OCC[C@@H]1S(=O)(=O)N(C)C[C@@H]1C[C@H](F)CN1CC(N)=O ZINC000328816190 320734639 /nfs/dbraw/zinc/73/46/39/320734639.db2.gz CTGQOKXIUMFFBZ-BJDJZHNGSA-N 0 0 337.417 0.373 10 0 ECAERN CC(C)n1cc(S(=O)(=O)N2CC[C@@H](N3CCOCC3)[C@H]2C)cn1 ZINC000329470633 320774303 /nfs/dbraw/zinc/77/43/03/320774303.db2.gz YJUBTQIMEWPVKT-UKRRQHHQSA-N 0 0 342.465 0.948 10 0 ECAERN O=C(C1CCCC1)N1CCC[C@H]1C(=O)N1CCN2CCOC[C@H]2C1 ZINC000329664890 320783945 /nfs/dbraw/zinc/78/39/45/320783945.db2.gz KCOMHDCDXNPRIX-CVEARBPZSA-N 0 0 335.448 0.711 10 0 ECAERN COc1ccnc(N2CCC(C(=O)N3CCn4ccnc4C3)CC2)n1 ZINC000329709820 320786199 /nfs/dbraw/zinc/78/61/99/320786199.db2.gz NILWXZRHJHZEMV-UHFFFAOYSA-N 0 0 342.403 0.941 10 0 ECAERN NC(=O)c1ccc(N2CCN([C@@H]3CCN(C4CC4)C3=O)CC2)nc1 ZINC000330100267 320804825 /nfs/dbraw/zinc/80/48/25/320804825.db2.gz DJOPOYVDGLEFKZ-CQSZACIVSA-N 0 0 329.404 0.850 10 0 ECAERN O=C(C1CCCC1)N1CCC[C@H]1C(=O)N1CCN2C(=O)NC[C@H]2C1 ZINC000330275576 320814157 /nfs/dbraw/zinc/81/41/57/320814157.db2.gz LRQQKESUUUYWBL-KBPBESRZSA-N 0 0 334.420 0.608 10 0 ECAERN CC(C)c1nnc([C@@H]2COCCN2C(=O)[C@@H](C)N2CCOCC2)o1 ZINC000330300642 320815794 /nfs/dbraw/zinc/81/57/94/320815794.db2.gz NHKOYDHXNRRKFE-OLZOCXBDSA-N 0 0 338.408 0.814 10 0 ECAERN Cc1c([C@@H]2[C@H](C(=O)N3CC[C@@H](C)[C@@H](O)C3)CC(=O)N2C)cnn1C ZINC000330357511 320819059 /nfs/dbraw/zinc/81/90/59/320819059.db2.gz SWQIXYYYQQAOCT-ILHHOCCXSA-N 0 0 334.420 0.477 10 0 ECAERN CCc1nnc(CN2C[C@H](COCC(=O)N(C)C)OC(C)(C)C2)[nH]1 ZINC000343334958 321134273 /nfs/dbraw/zinc/13/42/73/321134273.db2.gz CYNPYQSYIRFDPW-GFCCVEGCSA-N 0 0 339.440 0.451 10 0 ECAERN O[C@@H]1CCC[C@@H]1[C@H]1COCCN1Cc1nnn(CC(F)(F)F)n1 ZINC000345760408 321199899 /nfs/dbraw/zinc/19/98/99/321199899.db2.gz LPUXCZSKIZKVCY-GMTAPVOTSA-N 0 0 335.330 0.597 10 0 ECAERN C[C@H]1CN(C(=O)C(=O)NCc2ccc(F)cc2)C[C@@H]1N1CCOCC1 ZINC000173965747 533816215 /nfs/dbraw/zinc/81/62/15/533816215.db2.gz ZEWSVCHBDREZEE-BBRMVZONSA-N 0 0 349.406 0.621 10 0 ECAERN NC(=O)[C@@H]1CC(C(=O)N[C@@H]2CCCC[C@@H]2CO)=NN1c1ccccc1 ZINC000150972977 534420475 /nfs/dbraw/zinc/42/04/75/534420475.db2.gz WAEGIZPSCOKVKI-XPKDYRNWSA-N 0 0 344.415 0.774 10 0 ECAERN Cc1ccc2cccc(C(=O)NC[C@H](O)CN3CCOCC3)c2n1 ZINC000129966677 534478070 /nfs/dbraw/zinc/47/80/70/534478070.db2.gz BDNHTHPORFMSIP-HNNXBMFYSA-N 0 0 329.400 0.966 10 0 ECAERN O=C(CN1C(=O)c2ccccc2C1=O)N[C@@H]1CCCn2ncnc21 ZINC000177610283 534515070 /nfs/dbraw/zinc/51/50/70/534515070.db2.gz HPPXBKOXIYBNFN-GFCCVEGCSA-N 0 0 325.328 0.525 10 0 ECAERN O=C(Cc1ccc(OC(F)F)cc1)NC[C@H](O)CN1CCOCC1 ZINC000154150087 534701249 /nfs/dbraw/zinc/70/12/49/534701249.db2.gz HMHIKENDRWBVEO-ZDUSSCGKSA-N 0 0 344.358 0.640 10 0 ECAERN CC(C)(C)OC(=O)N[C@@H]1CCCN(c2nccn3c(=O)[nH]nc23)C1 ZINC000071195309 534894087 /nfs/dbraw/zinc/89/40/87/534894087.db2.gz HCWMVCPDPOYXOZ-SNVBAGLBSA-N 0 0 334.380 0.911 10 0 ECAERN CC(=O)NC1CN(C(=O)NC2CCN(C(=O)c3ccccc3)CC2)C1 ZINC000189736889 526705844 /nfs/dbraw/zinc/70/58/44/526705844.db2.gz WPYWAPIMDPEZDZ-UHFFFAOYSA-N 0 0 344.415 0.821 10 0 ECAERN CC(=O)NC1CN(C(=O)[C@@H](C)CS(=O)(=O)c2ccc(F)cc2)C1 ZINC000190515260 526711578 /nfs/dbraw/zinc/71/15/78/526711578.db2.gz CXKAKRQVQPEPGY-JTQLQIEISA-N 0 0 342.392 0.582 10 0 ECAERN CCO[C@H]1C[C@@H](NC(=O)Cc2nc3ncccn3n2)C12CCOCC2 ZINC000187122856 528082132 /nfs/dbraw/zinc/08/21/32/528082132.db2.gz WWMMLKULPXGULH-OLZOCXBDSA-N 0 0 345.403 0.757 10 0 ECAERN CC(C)S(=O)(=O)CCN1CCN(c2ccc3nncn3n2)CC1 ZINC000178222616 528300585 /nfs/dbraw/zinc/30/05/85/528300585.db2.gz KBSDPAKMRPWBCD-UHFFFAOYSA-N 0 0 338.437 0.070 10 0 ECAERN CC(C)c1nnc2n1C[C@H](NC(=O)CNC(=O)c1cccnc1)CC2 ZINC000177837848 528477397 /nfs/dbraw/zinc/47/73/97/528477397.db2.gz IOIGKEKVDFHCFI-CYBMUJFWSA-N 0 0 342.403 0.658 10 0 ECAERN CCCCN1CCOC[C@H]1C(=O)NCCc1cccc(C(N)=O)c1 ZINC000191717165 528483326 /nfs/dbraw/zinc/48/33/26/528483326.db2.gz FRAJTQHMHDLJBC-INIZCTEOSA-N 0 0 333.432 0.945 10 0 ECAERN CCOC(=O)NCC(=O)N1CCN(Cc2cnc(C)s2)CC1 ZINC000171872178 529029574 /nfs/dbraw/zinc/02/95/74/529029574.db2.gz JIOQQUSBAGEKJL-UHFFFAOYSA-N 0 0 326.422 0.842 10 0 ECAERN CN[C@H](C(=O)NCc1ccc(-c2nn[nH]n2)cc1)c1cnn(C)c1 ZINC000262507194 536384561 /nfs/dbraw/zinc/38/45/61/536384561.db2.gz JGHLJFJMZKYIEA-ZDUSSCGKSA-N 0 0 326.364 0.177 10 0 ECAERN CC(=O)Nc1ccc(S(=O)(=O)NC[C@@H]2CC(=O)N(C)C2)cc1 ZINC000074863379 545685905 /nfs/dbraw/zinc/68/59/05/545685905.db2.gz PHRJJFLHKRWJNJ-NSHDSACASA-N 0 0 325.390 0.402 10 0 ECAERN CCn1cc(CN2CCCN(C(=O)Cc3cnn(C)c3)CC2)cn1 ZINC000105831028 545738583 /nfs/dbraw/zinc/73/85/83/545738583.db2.gz FDTGQLXGSRMJEZ-UHFFFAOYSA-N 0 0 330.436 0.914 10 0 ECAERN O=S(=O)(N[C@@H]1CCOC[C@@H]1O)c1ccccc1Br ZINC000625591386 547159425 /nfs/dbraw/zinc/15/94/25/547159425.db2.gz MXASTODSDJPCMQ-ZJUUUORDSA-N 0 0 336.207 0.877 10 0 ECAERN CC[C@H](C)c1nnc(N2CC[C@@H](n3cc(C(N)=O)nn3)C2)n1CC ZINC000669099011 547827994 /nfs/dbraw/zinc/82/79/94/547827994.db2.gz LFSGFTWCBCJKMD-WDEREUQCSA-N 0 0 332.412 0.953 10 0 ECAERN Cn1cnc(C(=O)N2CCOC[C@H]2c2ncnn2-c2ccccc2)n1 ZINC000685849014 549722655 /nfs/dbraw/zinc/72/26/55/549722655.db2.gz SRVYABOAPAJHPZ-ZDUSSCGKSA-N 0 0 339.359 0.610 10 0 ECAERN CC(C)(C)OC(=O)CCc1nc([C@]2(N)CCS(=O)(=O)C2)no1 ZINC000757181459 579459916 /nfs/dbraw/zinc/45/99/16/579459916.db2.gz CBGDXRQFAHODJA-ZDUSSCGKSA-N 0 0 331.394 0.316 10 0 ECAERN O=C(c1c(Cl)nc2ccccn21)N1CC[C@@](O)(Cn2ccnn2)C1 ZINC000794485352 578589952 /nfs/dbraw/zinc/58/99/52/578589952.db2.gz MLZFNIUWEFQDAR-HNNXBMFYSA-N 0 0 346.778 0.856 10 0 ECAERN Cc1ncc(CN2CCN(C(=O)c3cccn4nnnc34)CC2)s1 ZINC000896290364 586231693 /nfs/dbraw/zinc/23/16/93/586231693.db2.gz ZJOGGJVDXMJCSD-UHFFFAOYSA-N 0 0 343.416 0.847 10 0 ECAERN Cc1cnn([C@H]2[C@H](O)C[C@@H]2NC(=O)COc2c(C)nn(C)c2C)c1 ZINC000888077164 586245762 /nfs/dbraw/zinc/24/57/62/586245762.db2.gz PJNLNDPBHRRLDL-GZBFAFLISA-N 0 0 333.392 0.411 10 0 ECAERN CCCn1[nH]ccc1=NC(=O)CN1C[C@H](OC)C[C@@H]1c1ncc[nH]1 ZINC000888079145 586246912 /nfs/dbraw/zinc/24/69/12/586246912.db2.gz DURVPCRWYYERPH-CHWSQXEVSA-N 0 0 332.408 0.839 10 0 ECAERN O=C(c1cn([C@@H]2COC[C@H]2O)nn1)N1CCC=C(c2ccco2)C1 ZINC000888093493 586348585 /nfs/dbraw/zinc/34/85/85/586348585.db2.gz ABCNVJCJOHWGHI-ZIAGYGMSSA-N 0 0 330.344 0.733 10 0 ECAERN COc1cncc(C(=O)N[C@H]2COC[C@H]2Oc2cnn(C)c2)c1C ZINC000888095289 586349669 /nfs/dbraw/zinc/34/96/69/586349669.db2.gz WOKCXPVPGBERMQ-DZGCQCFKSA-N 0 0 332.360 0.708 10 0 ECAERN Cc1nccnc1C(=O)N[C@@H]1CCCC[C@@H]1Cc1nn(C)c(=O)n1C ZINC000888099365 586350202 /nfs/dbraw/zinc/35/02/02/586350202.db2.gz WGOJTZSHKYWQKG-CHWSQXEVSA-N 0 0 344.419 0.749 10 0 ECAERN C/C=C\[C@@H](O)C(=O)N1CCN(c2nc(C)nc3c2cnn3C)CC1 ZINC000900711825 586658548 /nfs/dbraw/zinc/65/85/48/586658548.db2.gz QODBZXWJLHQISS-DSYXLKISSA-N 0 0 330.392 0.257 10 0 ECAERN CCOCCN1CCN(C(=O)c2ccnc3[nH]c(=O)[nH]c32)C[C@H]1C ZINC000900743148 586661657 /nfs/dbraw/zinc/66/16/57/586661657.db2.gz AHCJHZWJONHFEK-LLVKDONJSA-N 0 0 333.392 0.846 10 0 ECAERN COC(=O)[C@]1(NC(=O)C2C[C@H]3CSC[C@@H](C2)C3=O)CCOC1 ZINC000901013224 586682265 /nfs/dbraw/zinc/68/22/65/586682265.db2.gz RXKVPVMHYYBTQV-GUSCCFJKSA-N 0 0 327.402 0.393 10 0 ECAERN Cc1cc(C(=O)N2CCO[C@H](C[N@@H+](C)CC(=O)[O-])C2)c2nccn2c1 ZINC000901541738 586711143 /nfs/dbraw/zinc/71/11/43/586711143.db2.gz YBYYJJHVFRMLAY-CYBMUJFWSA-N 0 0 346.387 0.500 10 0 ECAERN CCn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2cnc(C)nc2C)cn1 ZINC000818606631 587440602 /nfs/dbraw/zinc/44/06/02/587440602.db2.gz HNWDFSUYRZRGTD-LSDHHAIUSA-N 0 0 331.376 0.886 10 0 ECAERN Cn1cc(COC(=O)[C@H]2CCC(=O)N(C)[C@H]2c2cnn(C)c2)cn1 ZINC000115738051 589719016 /nfs/dbraw/zinc/71/90/16/589719016.db2.gz FJIGUROVWPRSFJ-ZFWWWQNUSA-N 0 0 331.376 0.807 10 0 ECAERN C[C@@H]1COC[C@@H](C)N1CCS(=O)(=O)CCN1[C@H](C)COC[C@@H]1C ZINC000120934780 589726532 /nfs/dbraw/zinc/72/65/32/589726532.db2.gz KJZLNPLPAOQZAY-FPCVCCKLSA-N 0 0 348.509 0.620 10 0 ECAERN Cn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2cncc3ncn(C)c32)cn1 ZINC000869430692 589965299 /nfs/dbraw/zinc/96/52/99/589965299.db2.gz INTMPCGSHNMAAH-UONOGXRCSA-N 0 0 342.359 0.278 10 0 ECAERN Cn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2cnc3cccnn32)cn1 ZINC000862921887 589973890 /nfs/dbraw/zinc/97/38/90/589973890.db2.gz KHDRKSBHRJBUKD-WCQYABFASA-N 0 0 328.332 0.039 10 0 ECAERN COCCn1c(C)c(C)n(CN2C[C@@H](C)O[C@H](C(N)=O)C2)c1=S ZINC000120205009 590100737 /nfs/dbraw/zinc/10/07/37/590100737.db2.gz FYNHKGAXKDHNRM-MFKMUULPSA-N 0 0 342.465 0.814 10 0 ECAERN CN1CCCc2ccc(S(=O)(=O)N[C@@H]3CCc4ncnn4C3)cc21 ZINC000125353898 590287712 /nfs/dbraw/zinc/28/77/12/590287712.db2.gz GVLSVRPJTMKQFW-CYBMUJFWSA-N 0 0 347.444 0.954 10 0 ECAERN COc1cccc(/C(C)=C/C(=O)NC[C@@H](O)CN2CCOCC2)c1 ZINC000132350777 590632202 /nfs/dbraw/zinc/63/22/02/590632202.db2.gz MWJTUQPLJCBKAW-HFQYIWAZSA-N 0 0 334.416 0.908 10 0 ECAERN CCCCCCNC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)NC(N)=O)C1 ZINC000132357631 590632360 /nfs/dbraw/zinc/63/23/60/590632360.db2.gz CEYZXSSEJMQCFV-CHWSQXEVSA-N 0 0 326.441 0.978 10 0 ECAERN COc1cc(CN2CCN([C@@]3(C(N)=O)CCOC3)CC2)ccc1C ZINC000886026690 590787083 /nfs/dbraw/zinc/78/70/83/590787083.db2.gz JRJOKTDBXMUMNF-SFHVURJKSA-N 0 0 333.432 0.766 10 0 ECAERN CCN1C(=O)C[C@@H](CNC(=O)COCC2CC2)[C@@H]1c1nccn1C ZINC000886036583 590788202 /nfs/dbraw/zinc/78/82/02/590788202.db2.gz YPGDSQFYIHGACZ-XJKSGUPXSA-N 0 0 334.420 0.872 10 0 ECAERN CC1(C)CN(C(=O)[C@@H]2CCCO[C@H]2c2cc[nH]n2)CCS1(=O)=O ZINC000886055412 590788842 /nfs/dbraw/zinc/78/88/42/590788842.db2.gz DSVTUEYCRBFKHP-DGCLKSJQSA-N 0 0 341.433 0.913 10 0 ECAERN CCNC(=O)c1ccc(N2CCC[C@](O)(Cc3nncn3C)C2)nc1 ZINC000886065443 590789773 /nfs/dbraw/zinc/78/97/73/590789773.db2.gz DSNJQTZENTWNNX-KRWDZBQOSA-N 0 0 344.419 0.534 10 0 ECAERN COc1ncccc1CCNC(=O)[C@@H]1Cn2c(C)nnc2CN1C ZINC000886077525 590790769 /nfs/dbraw/zinc/79/07/69/590790769.db2.gz DYHHAHFDNVMXIM-ZDUSSCGKSA-N 0 0 330.392 0.163 10 0 ECAERN CCn1ncc(CNC[C@@H]2OCCN(CC)[C@H]2c2ccnn2C)n1 ZINC000886081914 590792372 /nfs/dbraw/zinc/79/23/72/590792372.db2.gz FMFSWFPEFJKUQC-HOTGVXAUSA-N 0 0 333.440 0.583 10 0 ECAERN Cn1ccnc1[C@@H]1[C@@H](CNC(=O)c2cnccn2)CCC(=O)N1C ZINC000886081925 590792644 /nfs/dbraw/zinc/79/26/44/590792644.db2.gz HJRHOCKXEGVNBN-RISCZKNCSA-N 0 0 328.376 0.550 10 0 ECAERN CCc1c(C(=O)N2CCC[C@](O)(Cc3nncn3C)C2)ccn1C ZINC000886084498 590792763 /nfs/dbraw/zinc/79/27/63/590792763.db2.gz BPKAVNCCDFTTDV-KRWDZBQOSA-N 0 0 331.420 0.926 10 0 ECAERN CCn1cnc2c1ncnc2N1CC[NH+]([C@]2(C(=O)[O-])CCOC2)CC1 ZINC000886094745 590794374 /nfs/dbraw/zinc/79/43/74/590794374.db2.gz CPGRUSFXULUXFB-MRXNPFEDSA-N 0 0 346.391 0.212 10 0 ECAERN Cn1ccnc1[C@H]1[C@H](NC(=O)c2cnc[nH]2)CCC(=O)N1C1CC1 ZINC000886094766 590794400 /nfs/dbraw/zinc/79/44/00/590794400.db2.gz DTNGFVOAQLZMOI-BXUZGUMPSA-N 0 0 328.376 0.768 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)N[C@@H](C)c2nnnn2C2CC2)CC1 ZINC000188770332 611382642 /nfs/dbraw/zinc/38/26/42/611382642.db2.gz YOGKQHJYBIQEDZ-WCQYABFASA-N 0 0 337.428 0.167 10 0 ECAERN CCc1ccc(C(=O)N[C@@H]2CC(=O)N(CCN3CCOCC3)C2)o1 ZINC000071911465 608677591 /nfs/dbraw/zinc/67/75/91/608677591.db2.gz IWERGENZPIGXES-CYBMUJFWSA-N 0 0 335.404 0.505 10 0 ECAERN Cc1nccn1C[C@H]1CCCN1CN1C(=O)NC2(CCOCC2)C1=O ZINC000176085092 608783687 /nfs/dbraw/zinc/78/36/87/608783687.db2.gz IDPBCWVHQKLIRY-CQSZACIVSA-N 0 0 347.419 0.714 10 0 ECAERN COCCNC(=O)Cn1c2cc(C(=O)N3CCCC3)ccc2oc1=O ZINC000075351469 611664656 /nfs/dbraw/zinc/66/46/56/611664656.db2.gz QDLCIDJISSGVRF-UHFFFAOYSA-N 0 0 347.371 0.593 10 0 ECAERN Cc1noc(-c2cncn(CCC(=O)N3C[C@H](C)O[C@@H](C)C3)c2=O)n1 ZINC000222848016 609125266 /nfs/dbraw/zinc/12/52/66/609125266.db2.gz ZUWZUWFYQLVNBV-QWRGUYRKSA-N 0 0 347.375 0.628 10 0 ECAERN O=C(N[C@@H]1C[C@H](O)[C@@H]1n1cccn1)[C@@]1(O)CCc2ccccc2C1 ZINC000909181314 609681390 /nfs/dbraw/zinc/68/13/90/609681390.db2.gz LXIZCLCGCFSQKF-KYHPRHEASA-N 0 0 327.384 0.594 10 0 ECAERN O=C1[C@H]2CC=CC[C@@H]2C(=O)N1CN1CCC(Cn2ccnn2)CC1 ZINC000157070305 609711395 /nfs/dbraw/zinc/71/13/95/609711395.db2.gz XVBLVRIOTNUKMV-GJZGRUSLSA-N 0 0 329.404 0.899 10 0 ECAERN CNC(=O)CCNS(=O)(=O)c1ccc2c(c1)C(C)(C)CC(=O)N2 ZINC000223678509 609714005 /nfs/dbraw/zinc/71/40/05/609714005.db2.gz KPFBGMUGWGTSCN-UHFFFAOYSA-N 0 0 339.417 0.721 10 0 ECAERN C[C@H]1Nc2ncnc(N3CCN(C(=O)c4ccco4)CC3)c2NC1=O ZINC000223979400 609715756 /nfs/dbraw/zinc/71/57/56/609715756.db2.gz NDYVPMNNUNYWFX-SNVBAGLBSA-N 0 0 342.359 0.785 10 0 ECAERN CC[C@H](C)[C@H]1Nc2ncnc(NCCN3CCOCC3)c2NC1=O ZINC000224001890 609716416 /nfs/dbraw/zinc/71/64/16/609716416.db2.gz QOVNHOKVGKTSQM-NWDGAFQWSA-N 0 0 334.424 0.999 10 0 ECAERN O=C(c1cnn(-c2ccccc2)n1)N1CC[C@@H](N2CCOCC2)C1 ZINC000172741717 609775064 /nfs/dbraw/zinc/77/50/64/609775064.db2.gz FTBDUBKQSCMHPX-OAHLLOKOSA-N 0 0 327.388 0.814 10 0 ECAERN CC[C@H](C(=O)N1CCc2nnc(CNC(C)=O)n2CC1)n1cccn1 ZINC000067934778 609838601 /nfs/dbraw/zinc/83/86/01/609838601.db2.gz BHYHPTLQRUTKQG-CYBMUJFWSA-N 0 0 345.407 0.147 10 0 ECAERN COC[C@@]1(C)NC(=O)N(CN2CCC(Cn3cccn3)CC2)C1=O ZINC000152746712 609877027 /nfs/dbraw/zinc/87/70/27/609877027.db2.gz VERWQYPANGWLCZ-MRXNPFEDSA-N 0 0 335.408 0.510 10 0 ECAERN CCOC(=O)c1cn(CN2CCO[C@@H](Cn3cccn3)C2)nc1C ZINC000152802144 609880214 /nfs/dbraw/zinc/88/02/14/609880214.db2.gz IVOMBDCWNSNGRL-CQSZACIVSA-N 0 0 333.392 0.923 10 0 ECAERN CCOC(=O)c1cn(CN2CCO[C@H](Cn3cccn3)C2)nc1C ZINC000152802017 609880412 /nfs/dbraw/zinc/88/04/12/609880412.db2.gz IVOMBDCWNSNGRL-AWEZNQCLSA-N 0 0 333.392 0.923 10 0 ECAERN COC[C@@]1(C)NC(=O)N(CN2CCC[C@H](n3cc(C)cn3)C2)C1=O ZINC000152896339 609886916 /nfs/dbraw/zinc/88/69/16/609886916.db2.gz SDRNBLHYYLJMCN-XJKSGUPXSA-N 0 0 335.408 0.743 10 0 ECAERN CCCN1C(=O)C(=O)N(CN2CCC[C@H](n3cc(C)cn3)C2)C1=O ZINC000152911775 609887523 /nfs/dbraw/zinc/88/75/23/609887523.db2.gz ZTXXOVAMBBMOFX-ZDUSSCGKSA-N 0 0 333.392 0.987 10 0 ECAERN CCO[C@]1(C(=O)N[C@H]2C[C@H](N3CCOCC3)C2(C)C)CCOC1 ZINC000911843764 609915503 /nfs/dbraw/zinc/91/55/03/609915503.db2.gz NJZHRKCHTNSGGW-GRDNDAEWSA-N 0 0 326.437 0.798 10 0 ECAERN COc1ccc(CNC(=O)/C=C\C(=O)N2CCOC[C@@H]2CO)cc1 ZINC000912415110 609955023 /nfs/dbraw/zinc/95/50/23/609955023.db2.gz GPAGNYGIVQUPGR-AFNCTOJWSA-N 0 0 334.372 0.087 10 0 ECAERN Cc1nc2cc(F)c(F)cc2n1CC(=O)N1CCOC[C@@H]1CO ZINC000912415719 609956571 /nfs/dbraw/zinc/95/65/71/609956571.db2.gz IEMGLGRYTJNYMC-JTQLQIEISA-N 0 0 325.315 0.843 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)NCC[S@](=O)C(C)(C)C)CC1 ZINC000181780392 610167363 /nfs/dbraw/zinc/16/73/63/610167363.db2.gz ZWPYSCHRYIDKMP-DMZKTXOQSA-N 0 0 333.498 0.632 10 0 ECAERN COC(=O)[C@@H]1CC(=O)N(CN2CCC[C@@H](Cc3noc(C)n3)C2)C1 ZINC000181369095 610173783 /nfs/dbraw/zinc/17/37/83/610173783.db2.gz UESDTDXDQUJBOO-QWHCGFSZSA-N 0 0 336.392 0.612 10 0 ECAERN C[C@H](NC(=O)C(=O)Nc1ccc(-n2ccnc2)nc1)[C@H]1CCCO1 ZINC000071065627 610329127 /nfs/dbraw/zinc/32/91/27/610329127.db2.gz ZXAKDIUDVLBAKT-WCQYABFASA-N 0 0 329.360 0.890 10 0 ECAERN COCCN1CCN(C(=O)c2cc(Br)nn2C)C[C@@H]1C ZINC000192122881 611910128 /nfs/dbraw/zinc/91/01/28/611910128.db2.gz FOXWRZBOJPCHAG-JTQLQIEISA-N 0 0 345.241 0.975 10 0 ECAERN CC[C@@H]1CN(CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)CC[N@@H+]1CCOC ZINC000247136654 612824910 /nfs/dbraw/zinc/82/49/10/612824910.db2.gz PAJOWBKEYARQEW-BZUAXINKSA-N 0 0 335.448 0.938 10 0 ECAERN CO[C@H]1C[C@@H](C(=O)N2CCc3c(nnn3-c3ccccc3)C2)N(C)C1 ZINC000329366710 741023813 /nfs/dbraw/zinc/02/38/13/741023813.db2.gz KNYPQAUOZHRJHC-YOEHRIQHSA-N 0 0 341.415 0.871 10 0 ECAERN O=C(NCCNC(=O)N1CCC[C@@H](n2cncn2)C1)c1ccco1 ZINC000173691489 231007131 /nfs/dbraw/zinc/00/71/31/231007131.db2.gz ZISXXQNBOKBBKH-GFCCVEGCSA-N 0 0 332.364 0.648 10 0 ECAERN OC[C@@H]1CCCN1c1cc(N2CCC[C@H](n3cncn3)C2)ncn1 ZINC000173746937 231022294 /nfs/dbraw/zinc/02/22/94/231022294.db2.gz CSBHEKJRNLJNDP-KBPBESRZSA-N 0 0 329.408 0.871 10 0 ECAERN C[C@H]1CN(C(=O)c2ccc(N3CCCC3)nn2)C[C@@H]1N1CCOCC1 ZINC000173878541 231059063 /nfs/dbraw/zinc/05/90/63/231059063.db2.gz WEYHHXNSYRBLAW-HOCLYGCPSA-N 0 0 345.447 0.870 10 0 ECAERN Cc1cc(N2CCC[C@H](NC(=O)c3ccc(=O)[nH]c3)C2=O)n(C)n1 ZINC000174994166 231362287 /nfs/dbraw/zinc/36/22/87/231362287.db2.gz FXZVFNMMNJGBOQ-LBPRGKRZSA-N 0 0 329.360 0.755 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)C(=O)Nc2ccc(F)c(F)c2)CC1 ZINC000189455705 529698199 /nfs/dbraw/zinc/69/81/99/529698199.db2.gz DBIHWQOTNZNHIM-LBPRGKRZSA-N 0 0 341.358 0.818 10 0 ECAERN Cc1cnn(CCNC(=O)[C@H]2Nc3ccccc3S(=O)(=O)N2)c1 ZINC000176626254 231696241 /nfs/dbraw/zinc/69/62/41/231696241.db2.gz LOOPOTNGEVLDHL-ZDUSSCGKSA-N 0 0 335.389 0.038 10 0 ECAERN CCc1nccn1[C@@H]1CCCN(C(=O)NCC(=O)N2CCOCC2)C1 ZINC000181856780 529760300 /nfs/dbraw/zinc/76/03/00/529760300.db2.gz PUNGXMKZFKAVQC-CQSZACIVSA-N 0 0 349.435 0.651 10 0 ECAERN CN1CCO[C@@H](CNC(=O)NCCOc2ncccc2Cl)C1 ZINC000158967074 529783858 /nfs/dbraw/zinc/78/38/58/529783858.db2.gz ZYPZUHJELQAMJD-NSHDSACASA-N 0 0 328.800 0.744 10 0 ECAERN CNC(=O)CCCC(=O)NC[C@H]1CCCN1c1cc(NC)ncn1 ZINC000154852842 529848341 /nfs/dbraw/zinc/84/83/41/529848341.db2.gz QJRGQAMEZRAWNM-GFCCVEGCSA-N 0 0 334.424 0.520 10 0 ECAERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(F)c(F)c1F ZINC000166883002 529901590 /nfs/dbraw/zinc/90/15/90/529901590.db2.gz VKNAZWORKXKBRP-VIFPVBQESA-N 0 0 329.278 0.779 10 0 ECAERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1ccc2nc(C)oc2c1 ZINC000166758093 529901678 /nfs/dbraw/zinc/90/16/78/529901678.db2.gz QYMKRKSUOKAWQV-LBPRGKRZSA-N 0 0 330.344 0.812 10 0 ECAERN C[N@@H+](CC(=O)[O-])C[C@@H]1CN(C(=O)N[C@@H]2CC3CCC2CC3)CCO1 ZINC000263357558 282359814 /nfs/dbraw/zinc/35/98/14/282359814.db2.gz JKKVTUYHGHLLEV-NEXFUWMNSA-N 0 0 339.436 0.992 10 0 ECAERN CS(=O)(=O)N1CCC(C(=O)N2CCO[C@H]3CCCC[C@@H]32)CC1 ZINC000041117331 213418369 /nfs/dbraw/zinc/41/83/69/213418369.db2.gz XFDUYPLRQMTWRT-KBPBESRZSA-N 0 0 330.450 0.828 10 0 ECAERN C[C@H](NC(=O)[C@H]1CSC(=O)N1)c1ccc(S(N)(=O)=O)cc1 ZINC000040378484 213293890 /nfs/dbraw/zinc/29/38/90/213293890.db2.gz DXZSIVWCBACUEH-OIBJUYFYSA-N 0 0 329.403 0.336 10 0 ECAERN Cn1c(=O)[nH]c(N)c(NC(=O)Cc2ccc(C(F)(F)F)cc2)c1=O ZINC000039125246 213231583 /nfs/dbraw/zinc/23/15/83/213231583.db2.gz TYVVMGYBFDVNCK-UHFFFAOYSA-N 0 0 342.277 0.856 10 0 ECAERN Nc1cccc2c1CCN(S(=O)(=O)[C@H]1CCS(=O)(=O)C1)C2 ZINC000038032769 213194259 /nfs/dbraw/zinc/19/42/59/213194259.db2.gz IMJHPWOPISTSSR-NSHDSACASA-N 0 0 330.431 0.144 10 0 ECAERN Cc1nn(C)c(C)c1CN1CCN(C(=O)C(=O)Nc2ccon2)CC1 ZINC000186125558 235830443 /nfs/dbraw/zinc/83/04/43/235830443.db2.gz ISRKWSKOAVLWHQ-UHFFFAOYSA-N 0 0 346.391 0.308 10 0 ECAERN O=C(NC1CN(S(=O)(=O)c2ccc3c(c2)CCO3)C1)C1CCC1 ZINC000186180595 235841662 /nfs/dbraw/zinc/84/16/62/235841662.db2.gz LEWDHOKEXINGAS-UHFFFAOYSA-N 0 0 336.413 0.911 10 0 ECAERN C[C@H]1OCCC[C@@H]1C(=O)NCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000187903531 236334446 /nfs/dbraw/zinc/33/44/46/236334446.db2.gz PUPGQICCNNVPIJ-KOLCDFICSA-N 0 0 332.360 0.726 10 0 ECAERN O=C(CN1C(=O)C(=O)c2ccc(Br)cc21)NCCO ZINC000035649981 213043618 /nfs/dbraw/zinc/04/36/18/213043618.db2.gz PFIHJTWIQXWYAK-UHFFFAOYSA-N 0 0 327.134 0.087 10 0 ECAERN O=C(CNC(=O)c1cc(F)cc(F)c1)N1CC(NC(=O)C2CC2)C1 ZINC000189362045 236845537 /nfs/dbraw/zinc/84/55/37/236845537.db2.gz YFVWSSSCAHKBQW-UHFFFAOYSA-N 0 0 337.326 0.432 10 0 ECAERN O=C([O-])C[C@H]1C[NH2+]CCN(C(=O)CCn2cnc3ccccc32)C1 ZINC000071762182 304084336 /nfs/dbraw/zinc/08/43/36/304084336.db2.gz VXMFHBQFKQLURO-ZDUSSCGKSA-N 0 0 330.388 0.949 10 0 ECAERN O=C(NC1CN(C(=O)N[C@@H]2CCCN(c3ncccn3)C2)C1)C1CC1 ZINC000190313206 238380560 /nfs/dbraw/zinc/38/05/60/238380560.db2.gz HYBIPTHVXJYSBC-CYBMUJFWSA-N 0 0 344.419 0.365 10 0 ECAERN O=C(Nc1ccc2c(c1)S(=O)(=O)CC2)N[C@H]1CCc2ncnn2C1 ZINC000190299250 238370069 /nfs/dbraw/zinc/37/00/69/238370069.db2.gz QYDDUPXKALWRFX-LBPRGKRZSA-N 0 0 347.400 0.744 10 0 ECAERN O=C([C@H]1CC(c2cccnc2)=NO1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000191589139 239200353 /nfs/dbraw/zinc/20/03/53/239200353.db2.gz FVAZPDYKNGKMGK-GDBMZVCRSA-N 0 0 341.371 0.699 10 0 ECAERN CCn1ncnc1CN1CCN(c2nc(C)nc3c2cnn3C)CC1 ZINC000193338074 240117619 /nfs/dbraw/zinc/11/76/19/240117619.db2.gz AREMIXVISNEUFO-UHFFFAOYSA-N 0 0 341.423 0.605 10 0 ECAERN C[C@H]1C[C@@H]1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F ZINC000075527142 216630377 /nfs/dbraw/zinc/63/03/77/216630377.db2.gz ADJNXCMXBCSFHF-HZMBPMFUSA-N 0 0 342.392 0.985 10 0 ECAERN CC[C@@H](O)c1cc2n(n1)CCN(C(=O)CSc1nncn1C)C2 ZINC000222928991 241578885 /nfs/dbraw/zinc/57/88/85/241578885.db2.gz LBVFJLLKFJZRQK-GFCCVEGCSA-N 0 0 336.421 0.590 10 0 ECAERN O=C(NC[C@H]1CCCC[C@@H]1O)C(=O)Nc1ccc(-n2cccn2)nc1 ZINC000077940056 217003964 /nfs/dbraw/zinc/00/39/64/217003964.db2.gz KBNGSANZKDBWEX-OCCSQVGLSA-N 0 0 343.387 0.873 10 0 ECAERN COC(=O)[C@@H](C)NS(=O)(=O)c1cc(Br)ccc1N ZINC000049352007 214002515 /nfs/dbraw/zinc/00/25/15/214002515.db2.gz ANRYKWJBEMZRQI-ZCFIWIBFSA-N 0 0 337.195 0.871 10 0 ECAERN CS(=O)(=O)c1ccccc1C(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111087421 220098782 /nfs/dbraw/zinc/09/87/82/220098782.db2.gz VBJPLBLRLAOCKZ-CYBMUJFWSA-N 0 0 349.412 0.828 10 0 ECAERN CCOC(=O)CN(C)C(=O)CN1CCC[C@@H](c2nncn2CC)C1 ZINC000111213574 220113100 /nfs/dbraw/zinc/11/31/00/220113100.db2.gz OKWQXAFESFUMEC-CYBMUJFWSA-N 0 0 337.424 0.499 10 0 ECAERN O=C(CNC(=O)c1cccc(F)c1)N1CCO[C@H](Cn2cccn2)C1 ZINC000111649914 220174397 /nfs/dbraw/zinc/17/43/97/220174397.db2.gz YQFKLVQAUMNMKP-HNNXBMFYSA-N 0 0 346.362 0.680 10 0 ECAERN Cc1cnn(C[C@@H]2CN(C(=O)[C@H](C)NC(=O)c3ccoc3)CCO2)c1 ZINC000112064030 220236472 /nfs/dbraw/zinc/23/64/72/220236472.db2.gz UWOJFVJVBMHFDP-ZFWWWQNUSA-N 0 0 346.387 0.830 10 0 ECAERN Cc1cnn(C[C@H]2CN(C(=O)[C@@H](C)NC(=O)c3ccco3)CCO2)c1 ZINC000112066544 220237813 /nfs/dbraw/zinc/23/78/13/220237813.db2.gz HZNYZHLIMUHSPI-ZIAGYGMSSA-N 0 0 346.387 0.830 10 0 ECAERN Cc1oc(-c2cccs2)nc1CC(=O)N1CCOC[C@H]1C(N)=O ZINC000091782165 218065329 /nfs/dbraw/zinc/06/53/29/218065329.db2.gz IVBOMRZEIWOJKB-NSHDSACASA-N 0 0 335.385 0.967 10 0 ECAERN NC(=O)CN1CCC(C(=O)N2CCC[C@@](CO)(CC3CC3)C2)CC1 ZINC000091974370 218097326 /nfs/dbraw/zinc/09/73/26/218097326.db2.gz JCTUYABFROBYKF-GOSISDBHSA-N 0 0 337.464 0.585 10 0 ECAERN CN(C)C(=O)[C@H]1CCCN1c1cc(N2CCC[C@@H](CO)C2)ncn1 ZINC000267238209 250862068 /nfs/dbraw/zinc/86/20/68/250862068.db2.gz RIPKESMEWUOAPB-ZIAGYGMSSA-N 0 0 333.436 0.742 10 0 ECAERN NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccs1 ZINC000072781473 207580366 /nfs/dbraw/zinc/58/03/66/207580366.db2.gz LSSQHOLUBBCXBM-GFCCVEGCSA-N 0 0 331.397 0.691 10 0 ECAERN CNC(=O)[C@H](NC(=O)NCC1(C(=O)N(C)C)CCCC1)C(C)C ZINC000178436966 207686777 /nfs/dbraw/zinc/68/67/77/207686777.db2.gz PNDIUCNGGFNHSV-GFCCVEGCSA-N 0 0 326.441 0.705 10 0 ECAERN CNC(=O)[C@H](NC(=O)N[C@@H]1CCCN(c2ncccn2)C1)C(C)C ZINC000178424624 207688944 /nfs/dbraw/zinc/68/89/44/207688944.db2.gz RJNZZWJTPXXQAB-CHWSQXEVSA-N 0 0 334.424 0.515 10 0 ECAERN CNc1cc(N2CCC[C@@H]2CNC(=O)NC[C@@H]2CCCO2)ncn1 ZINC000174000241 533047923 /nfs/dbraw/zinc/04/79/23/533047923.db2.gz XOCBQYHUBCQWNO-OLZOCXBDSA-N 0 0 334.424 0.965 10 0 ECAERN CCOc1ccc(CCC(=O)NC[C@H](O)CN2CCOCC2)cc1 ZINC000097374799 219018166 /nfs/dbraw/zinc/01/81/66/219018166.db2.gz BQCQJJYACBYGJB-INIZCTEOSA-N 0 0 336.432 0.827 10 0 ECAERN O=C(Cn1nc2ccccn2c1=O)N1CCCC[C@H]1c1cn[nH]c1 ZINC000113890281 220604678 /nfs/dbraw/zinc/60/46/78/220604678.db2.gz QEVRMDCVJQACDG-ZDUSSCGKSA-N 0 0 326.360 0.973 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)N(C)CC(=O)NC(C)(C)C)CC2 ZINC000114976131 220797335 /nfs/dbraw/zinc/79/73/35/220797335.db2.gz GICGMIPDAIFVBA-LLVKDONJSA-N 0 0 336.440 0.711 10 0 ECAERN CC(=O)NCCCNC(=O)N1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC000117033299 221024799 /nfs/dbraw/zinc/02/47/99/221024799.db2.gz ICHFOKIUAKQFGK-HNNXBMFYSA-N 0 0 336.440 0.843 10 0 ECAERN COc1ccc(-n2nnc(C(=O)N3CC(NC(C)=O)C3)c2C)cc1 ZINC000191503803 533219950 /nfs/dbraw/zinc/21/99/50/533219950.db2.gz NGESCLZBYGENIF-UHFFFAOYSA-N 0 0 329.360 0.545 10 0 ECAERN CCS(=O)(=O)N1CCC(NC(=O)NCCn2cc(C)cn2)CC1 ZINC000118057571 221110009 /nfs/dbraw/zinc/11/00/09/221110009.db2.gz JKWUQQTWTKVDLH-UHFFFAOYSA-N 0 0 343.453 0.305 10 0 ECAERN Cc1cnn(CCNC(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)c1 ZINC000117812312 221091904 /nfs/dbraw/zinc/09/19/04/221091904.db2.gz CQLYMDRAMBZVAG-UHFFFAOYSA-N 0 0 347.419 0.905 10 0 ECAERN CCS(=O)(=O)c1cccc(C(=O)NC[C@H]2CN(C)CCO2)c1 ZINC000119558420 221347691 /nfs/dbraw/zinc/34/76/91/221347691.db2.gz UKJOVUDZNHVSSW-ZDUSSCGKSA-N 0 0 326.418 0.541 10 0 ECAERN O=C([C@@H]1COC[C@@H]2CN(c3ncc(F)cn3)C[C@@H]21)N1CCCCO1 ZINC000247752843 257679861 /nfs/dbraw/zinc/67/98/61/257679861.db2.gz BRWOEFHNKKODQO-FPMFFAJLSA-N 0 0 336.367 0.869 10 0 ECAERN C[C@@H](CNC(=O)N1CCN(Cc2cccnc2)CC1)N1CCOCC1 ZINC000079251876 296624238 /nfs/dbraw/zinc/62/42/38/296624238.db2.gz OFHNYELLFDVCBP-INIZCTEOSA-N 0 0 347.463 0.630 10 0 ECAERN CCCC[C@H](NC(=O)NCC)C(=O)N1CCN(C[C@@H](O)CC)CC1 ZINC000137679739 296680934 /nfs/dbraw/zinc/68/09/34/296680934.db2.gz QGUROXJNHZHJHP-GJZGRUSLSA-N 0 0 342.484 0.779 10 0 ECAERN CNC(=O)[C@H](NC(=O)N[C@@H](C)C(=O)N1CCCC[C@@H]1C)C(C)C ZINC000246150545 296730976 /nfs/dbraw/zinc/73/09/76/296730976.db2.gz DRQRCSZIFZXIHS-RWMBFGLXSA-N 0 0 326.441 0.846 10 0 ECAERN CC(=O)N[C@@H]1CCCN(C(=O)c2cnc3cc(C)ccn3c2=O)C1 ZINC000077283273 164604202 /nfs/dbraw/zinc/60/42/02/164604202.db2.gz WZPNWQMTBWVMBP-CYBMUJFWSA-N 0 0 328.372 0.744 10 0 ECAERN CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1ccn(CCC(C)C)n1 ZINC000166717576 164820346 /nfs/dbraw/zinc/82/03/46/164820346.db2.gz CDDFTZFETMTQOM-GFCCVEGCSA-N 0 0 335.408 0.605 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)NC[C@](C)(O)c1ccco1)CC2 ZINC000174965519 164875533 /nfs/dbraw/zinc/87/55/33/164875533.db2.gz CFSCOMRFGFKEEE-ZBEGNZNMSA-N 0 0 333.392 0.955 10 0 ECAERN CNC(=O)[C@H](NC(=O)CCc1nc(-c2ccccn2)no1)C(C)C ZINC000178676605 164918860 /nfs/dbraw/zinc/91/88/60/164918860.db2.gz ODHIJIRTCRLPGI-CQSZACIVSA-N 0 0 331.376 0.951 10 0 ECAERN C[C@H](CC(=O)N1CCN(c2cccnn2)CC1)N1CCCCC1=O ZINC000188844829 165003147 /nfs/dbraw/zinc/00/31/47/165003147.db2.gz WLWSFNPFASPMKX-CQSZACIVSA-N 0 0 331.420 0.916 10 0 ECAERN C[C@@H]1C(=O)NCCCN1C(=O)CCn1cnc2sccc2c1=O ZINC000188875259 165003367 /nfs/dbraw/zinc/00/33/67/165003367.db2.gz QNDGAJWCHNUWDJ-SNVBAGLBSA-N 0 0 334.401 0.585 10 0 ECAERN C[C@@H](CC(=O)N1CCN(c2cnccn2)CC1)N1CCCCC1=O ZINC000189037954 165005657 /nfs/dbraw/zinc/00/56/57/165005657.db2.gz YXOQNZWGMRGKHQ-AWEZNQCLSA-N 0 0 331.420 0.916 10 0 ECAERN O=C(NC1CN(C(=O)[C@H]2CCCN(CC(F)(F)F)C2)C1)C1CC1 ZINC000189405856 165010033 /nfs/dbraw/zinc/01/00/33/165010033.db2.gz ZNRYFWYPYRBMLT-NSHDSACASA-N 0 0 333.354 0.998 10 0 ECAERN O=C(NCCCc1ccccc1)C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000189484307 165011766 /nfs/dbraw/zinc/01/17/66/165011766.db2.gz CXOSWTCNCTXAOS-UHFFFAOYSA-N 0 0 329.400 0.472 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1cc3c(cn1)nc[nH]c3=O)CC2 ZINC000189616403 165013661 /nfs/dbraw/zinc/01/36/61/165013661.db2.gz QCEKWAFHOKJTCY-VIFPVBQESA-N 0 0 339.359 0.217 10 0 ECAERN CCN1CCCN(C(=O)N[C@H]2CCc3nc(C(C)C)nn3C2)CC1=O ZINC000189714858 165014925 /nfs/dbraw/zinc/01/49/25/165014925.db2.gz HYQOYJCQPJDDOO-ZDUSSCGKSA-N 0 0 348.451 0.980 10 0 ECAERN CCn1ncc2ccc(NC(=O)C(=O)N3CCCNC(=O)[C@H]3C)cc21 ZINC000190670497 165023741 /nfs/dbraw/zinc/02/37/41/165023741.db2.gz IXGJBNNFDROIIM-LLVKDONJSA-N 0 0 343.387 0.732 10 0 ECAERN C[C@@H]1C(=O)NCCCN1C(=O)NCc1ccc(Cn2cncn2)cc1 ZINC000191149791 165028945 /nfs/dbraw/zinc/02/89/45/165028945.db2.gz OZNHDFUBACYDRB-CYBMUJFWSA-N 0 0 342.403 0.746 10 0 ECAERN C[C@H]1C(=O)NCCCN1C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000191215751 165031066 /nfs/dbraw/zinc/03/10/66/165031066.db2.gz DAIJYZURPXRYMG-AWEZNQCLSA-N 0 0 345.447 0.966 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)[C@@H]1CC(c3cccnc3)=NO1)CC2 ZINC000191834440 165036556 /nfs/dbraw/zinc/03/65/56/165036556.db2.gz AZDZSFQVMUCSCB-OCCSQVGLSA-N 0 0 340.387 0.860 10 0 ECAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CCO[C@@H](CCc2ccccc2)C1 ZINC000192241643 165041920 /nfs/dbraw/zinc/04/19/20/165041920.db2.gz BDODGNVPLLFMSI-FGTMMUONSA-N 0 0 346.427 0.828 10 0 ECAERN CCc1nc(NC(=O)C(=O)NC[C@H]2CN(C)CCO2)sc1C ZINC000192969908 165050965 /nfs/dbraw/zinc/05/09/65/165050965.db2.gz ZHUORNWJNAYSHQ-JTQLQIEISA-N 0 0 326.422 0.399 10 0 ECAERN COc1ccc(CCNC(=O)[C@H]2C[C@@H](O)CN2C(C)=O)c(Cl)c1 ZINC000193538563 165055799 /nfs/dbraw/zinc/05/57/99/165055799.db2.gz DIKYYVPJGRNRSY-IUODEOHRSA-N 0 0 340.807 0.989 10 0 ECAERN C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NC[C@@H]1CN(C)CCO1 ZINC000194630826 165070168 /nfs/dbraw/zinc/07/01/68/165070168.db2.gz MHUYTTSISHFDLI-BXUZGUMPSA-N 0 0 339.823 0.905 10 0 ECAERN O=C(c1ccc(F)cc1)N1CCCN(C(=O)[C@@H]2CNC(=O)C2)CC1 ZINC000194865748 165072171 /nfs/dbraw/zinc/07/21/71/165072171.db2.gz CUBFZGQCUXWZNC-ZDUSSCGKSA-N 0 0 333.363 0.636 10 0 ECAERN CCn1cc(C2CCN(CC(=O)N[C@@H](C)C(=O)N(C)C)CC2)cn1 ZINC000195501047 165083863 /nfs/dbraw/zinc/08/38/63/165083863.db2.gz HAGVNUPBMRHGEM-ZDUSSCGKSA-N 0 0 335.452 0.675 10 0 ECAERN COCCN1CCN([C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)C[C@@H]1C ZINC000247069648 165153275 /nfs/dbraw/zinc/15/32/75/165153275.db2.gz GLHNFGARFSBSSG-UONOGXRCSA-N 0 0 348.447 0.765 10 0 ECAERN Cn1cc(S(=O)(=O)NCCN2CCO[C@@H]3CCCC[C@H]32)cn1 ZINC000247558269 165165246 /nfs/dbraw/zinc/16/52/46/165165246.db2.gz QNJKXZBYPYUOGW-ZIAGYGMSSA-N 0 0 328.438 0.342 10 0 ECAERN CCCCN1CCOC[C@@H]1C(=O)N[C@H](C)C(=O)NCc1ccco1 ZINC000248621791 165179799 /nfs/dbraw/zinc/17/97/99/165179799.db2.gz AUQPHGVKMQDWEV-UKRRQHHQSA-N 0 0 337.420 0.901 10 0 ECAERN CNc1cc(N2CCC[C@@H]2CNC(=O)NC[C@@H]2CC[C@@H](O)C2)ncn1 ZINC000248869465 165188973 /nfs/dbraw/zinc/18/89/73/165188973.db2.gz CQUGAKJJMUJJGY-MGPQQGTHSA-N 0 0 348.451 0.947 10 0 ECAERN CC[S@](=O)[C@H]1CCC[C@@H](NC(=O)N2CC(NC(=O)C3CC3)C2)C1 ZINC000253202182 165208020 /nfs/dbraw/zinc/20/80/20/165208020.db2.gz BLUHOBNTTSZDOP-XTAIUZINSA-N 0 0 341.477 0.986 10 0 ECAERN CCOC(=O)c1ccc(N2CCO[C@@H](C[N@H+](C)CC(=O)[O-])C2)nc1 ZINC000261830316 165249098 /nfs/dbraw/zinc/24/90/98/165249098.db2.gz AKQYBYQCRGTBDO-ZDUSSCGKSA-N 0 0 337.376 0.480 10 0 ECAERN Cc1nc2cncc(N3CCN(Cc4cnc(N)s4)CC3)n2n1 ZINC000261969931 165271066 /nfs/dbraw/zinc/27/10/66/165271066.db2.gz IBTMCGQOJXMRER-UHFFFAOYSA-N 0 0 330.421 0.794 10 0 ECAERN Cc1cc(C(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000262055073 165282324 /nfs/dbraw/zinc/28/23/24/165282324.db2.gz RGBKIIXLAOXUDB-SNVBAGLBSA-N 0 0 331.376 0.944 10 0 ECAERN CCC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1)C(=O)[O-] ZINC000262298999 165326193 /nfs/dbraw/zinc/32/61/93/165326193.db2.gz PSAXQLKUDWLNDI-JOYOIKCWSA-N 0 0 343.405 0.504 10 0 ECAERN COC[C@@H]([NH3+])C(=O)N1CCN(Cc2cc(F)ccc2OC)CC1 ZINC000262329654 165331087 /nfs/dbraw/zinc/33/10/87/165331087.db2.gz DOBBPVBVUHPZCX-CQSZACIVSA-N 0 0 325.384 0.452 10 0 ECAERN C[C@H]1OCCN[C@@H]1C(=O)N[C@H]1CCN(C(=O)CCc2ccccc2)C1 ZINC000262376903 165340188 /nfs/dbraw/zinc/34/01/88/165340188.db2.gz WRIGNJWJDYPBRJ-HFTRVMKXSA-N 0 0 345.443 0.713 10 0 ECAERN O=C(CCc1ccccc1)N1CCC(NC(=O)[C@H]2COCCN2)CC1 ZINC000262639844 165371038 /nfs/dbraw/zinc/37/10/38/165371038.db2.gz ZBHUGKCZOYSLQA-QGZVFWFLSA-N 0 0 345.443 0.715 10 0 ECAERN Cc1nc(C)n(C[C@H]2CN(C(=O)[C@@H]3CC(F)(F)CN3)CCO2)n1 ZINC000262734036 165379500 /nfs/dbraw/zinc/37/95/00/165379500.db2.gz BXWVZFUAXZLKIM-NEPJUHHUSA-N 0 0 329.351 0.120 10 0 ECAERN CCN1CCCN(C(=O)NC2CC([N@H+](CC)CC(=O)[O-])C2)CC1=O ZINC000263505255 165451605 /nfs/dbraw/zinc/45/16/05/165451605.db2.gz WXFQKYXPVDIOGB-UHFFFAOYSA-N 0 0 340.424 0.188 10 0 ECAERN CNS(=O)(=O)c1ccc(N2CCC(C(=O)NC(C)C)CC2)nc1 ZINC000301233162 296883575 /nfs/dbraw/zinc/88/35/75/296883575.db2.gz IVBLUCMRYPEMOQ-UHFFFAOYSA-N 0 0 340.449 0.731 10 0 ECAERN CNC(=O)c1cccnc1N1CCN(C(=O)c2cccnc2)CC1 ZINC000301378100 296885746 /nfs/dbraw/zinc/88/57/46/296885746.db2.gz SKMCKWNMVFVBIN-UHFFFAOYSA-N 0 0 325.372 0.799 10 0 ECAERN CNc1nc(N2CCN(C[C@@H](C)O)CC2)ncc1Br ZINC000302562843 296898444 /nfs/dbraw/zinc/89/84/44/296898444.db2.gz UZNRXBHHQNQPIG-SECBINFHSA-N 0 0 330.230 0.784 10 0 ECAERN C[C@H](N[C@@H](CO)c1ccccc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000182897030 545890121 /nfs/dbraw/zinc/89/01/21/545890121.db2.gz MYIBCZZEYWEWHK-YUTCNCBUSA-N 0 0 326.418 0.001 10 0 ECAERN CCc1nnc([C@@H]2CN(C(=O)NCCCn3ccnc3)CCO2)[nH]1 ZINC000151107097 263146936 /nfs/dbraw/zinc/14/69/36/263146936.db2.gz BOQZWWKSPJXSSD-LBPRGKRZSA-N 0 0 333.396 0.737 10 0 ECAERN CC(C)OCCN1CCN(C(=O)NC[C@@H](C)N2CCOCC2)CC1 ZINC000174157385 263149900 /nfs/dbraw/zinc/14/99/00/263149900.db2.gz AOENLHCWEUYSQZ-MRXNPFEDSA-N 0 0 342.484 0.459 10 0 ECAERN CC[C@@H]1CN(C(=O)C(=O)Nc2cnn(C)c2C)CCN1CCOC ZINC000176632010 263153212 /nfs/dbraw/zinc/15/32/12/263153212.db2.gz MRRHJDVHGBVLKN-CYBMUJFWSA-N 0 0 337.424 0.236 10 0 ECAERN COc1ccc(COC[C@H](O)CN2CC(NC(=O)C3CC3)C2)cc1 ZINC000187979222 263161185 /nfs/dbraw/zinc/16/11/85/263161185.db2.gz JOGSZHFFTMJCBG-MRXNPFEDSA-N 0 0 334.416 0.783 10 0 ECAERN NC(=O)Cn1cc(NC(=O)C(=O)N[C@H]2CCCc3ccccc32)cn1 ZINC000193492862 263167133 /nfs/dbraw/zinc/16/71/33/263167133.db2.gz QYHCGSARKAHRNE-AWEZNQCLSA-N 0 0 341.371 0.501 10 0 ECAERN CCn1cc([C@@H]2CN(S(=O)(=O)c3c(C)onc3N)CCO2)cn1 ZINC000281307921 263978331 /nfs/dbraw/zinc/97/83/31/263978331.db2.gz ZSLGUACRYDZFEM-NSHDSACASA-N 0 0 341.393 0.544 10 0 ECAERN CC[C@H](NC(=O)c1cc(I)ccc1O)C(N)=O ZINC000292318761 264788631 /nfs/dbraw/zinc/78/86/31/264788631.db2.gz AUNVGJKBKGHVKK-QMMMGPOBSA-N 0 0 348.140 0.991 10 0 ECAERN C[C@@H](CC(=O)N1CC(NC(=O)C2CC2)C1)NC(=O)c1ccccc1 ZINC000189379568 437595992 /nfs/dbraw/zinc/59/59/92/437595992.db2.gz QGEBHIBWKHTMHD-LBPRGKRZSA-N 0 0 329.400 0.932 10 0 ECAERN CC(=O)NCCNC(=O)CCC(=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000118343710 277033018 /nfs/dbraw/zinc/03/30/18/277033018.db2.gz YEZKFTDBMJHSCO-CQSZACIVSA-N 0 0 335.408 0.496 10 0 ECAERN CC(=O)NC1CN(C(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2ccccc2)C1 ZINC000191493815 278091470 /nfs/dbraw/zinc/09/14/70/278091470.db2.gz TWTGSNYOORQGBI-DOTOQJQBSA-N 0 0 329.400 0.943 10 0 ECAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)c1ccc2c(c1)C(=O)NC2=O ZINC000176285523 279134796 /nfs/dbraw/zinc/13/47/96/279134796.db2.gz DOUICFJKLWFIHG-LBPRGKRZSA-N 0 0 325.328 0.735 10 0 ECAERN C[C@H]1Oc2c(cccc2C(=O)N[C@@H]2CCc3ncnn3C2)NC1=O ZINC000112657107 280071781 /nfs/dbraw/zinc/07/17/81/280071781.db2.gz DHSUBZQCGJEWQA-NXEZZACHSA-N 0 0 327.344 0.742 10 0 ECAERN CCN(C[C@@H](O)C(F)(F)F)C(=O)NC[C@@H](C)N1CCOCC1 ZINC000190201754 437621625 /nfs/dbraw/zinc/62/16/25/437621625.db2.gz XKDGVTZECXARBA-GHMZBOCLSA-N 0 0 327.347 0.662 10 0 ECAERN CN1CCN(C(=O)Cn2cc(NC(=O)[C@H]3C[C@H]3C3CC3)cn2)CC1 ZINC000333092686 297108758 /nfs/dbraw/zinc/10/87/58/297108758.db2.gz ZULAVHWJKPPKDU-GJZGRUSLSA-N 0 0 331.420 0.642 10 0 ECAERN CCn1cc([C@H]2OCC[C@@H]2NS(=O)(=O)[C@H]2CCO[C@H]2C)cn1 ZINC000333115151 297110880 /nfs/dbraw/zinc/11/08/80/297110880.db2.gz TWTGIZYPWDEWKQ-DOERSZECSA-N 0 0 329.422 0.830 10 0 ECAERN O=C([C@H]1CCN1Cc1ccccc1)N1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000333364292 297128160 /nfs/dbraw/zinc/12/81/60/297128160.db2.gz YELUAYZONGAZIK-KDOFPFPSSA-N 0 0 342.399 0.462 10 0 ECAERN CCO[C@@H]1COC[C@H]1NC(=O)N1CC[C@@H](N2CCOCC2)[C@H]1C ZINC000333551571 297141088 /nfs/dbraw/zinc/14/10/88/297141088.db2.gz UTDXUJAPRFQKIG-KBUPBQIOSA-N 0 0 327.425 0.295 10 0 ECAERN CO[C@H]1CN(C(=O)NCC(C)(C)C2(O)CCOCC2)C[C@@H]1OC ZINC000333582797 297143082 /nfs/dbraw/zinc/14/30/82/297143082.db2.gz UJBFTLXOUTWIJA-STQMWFEESA-N 0 0 330.425 0.609 10 0 ECAERN CO[C@H]1C[C@H](C(=O)N(C)C[C@H]2CCCCO2)N(S(C)(=O)=O)C1 ZINC000363747365 300290287 /nfs/dbraw/zinc/29/02/87/300290287.db2.gz BYIGPGAYYZRMOJ-FRRDWIJNSA-N 0 0 334.438 0.063 10 0 ECAERN CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@](O)(C(N)=O)C1 ZINC000367005249 300586523 /nfs/dbraw/zinc/58/65/23/300586523.db2.gz YQHNUTRJTHUXMZ-SJKOYZFVSA-N 0 0 339.436 0.252 10 0 ECAERN Cc1nc(C)n([C@@H]2CCCN(C(=O)Cc3nc4ncccn4n3)C2)n1 ZINC000072235444 436037073 /nfs/dbraw/zinc/03/70/73/436037073.db2.gz LNTTXEKLRQGBSF-CYBMUJFWSA-N 0 0 340.391 0.739 10 0 ECAERN O=C(NCc1cccnc1)c1noc2ncnc(N3CCOCC3)c21 ZINC000020993588 436110917 /nfs/dbraw/zinc/11/09/17/436110917.db2.gz GDGGYBIHJRDQBQ-UHFFFAOYSA-N 0 0 340.343 0.779 10 0 ECAERN CC[C@]1(C)CN(C(=O)[C@H]2C[C@H](OC)CN2S(C)(=O)=O)CCO1 ZINC000377046160 301316002 /nfs/dbraw/zinc/31/60/02/301316002.db2.gz LTRQZBHXPUJMKF-OUCADQQQSA-N 0 0 334.438 0.063 10 0 ECAERN CCc1noc([C@@]2(O)CCN(Cc3ccnn3CCCOC)C2)n1 ZINC000377827634 301379366 /nfs/dbraw/zinc/37/93/66/301379366.db2.gz YMFODKJZKLZISW-MRXNPFEDSA-N 0 0 335.408 0.959 10 0 ECAERN CCC1CCC(NC(=O)CNS(=O)(=O)c2cnn(C)c2)CC1 ZINC000076357636 436201733 /nfs/dbraw/zinc/20/17/33/436201733.db2.gz KKNGBBGITUWZBW-UHFFFAOYSA-N 0 0 328.438 0.783 10 0 ECAERN C[C@H]1C[C@H](O)CN(C(=O)Cn2cc(Br)ccc2=O)C1 ZINC000401897442 301456845 /nfs/dbraw/zinc/45/68/45/301456845.db2.gz LDUMTSWYUCXDQL-ONGXEEELSA-N 0 0 329.194 0.840 10 0 ECAERN NC(=O)c1nsc(C(=O)N2CCN(Cc3ccccc3)CC2)c1N ZINC000033335915 436252860 /nfs/dbraw/zinc/25/28/60/436252860.db2.gz HJCDYLAJSNXUJG-UHFFFAOYSA-N 0 0 345.428 0.782 10 0 ECAERN CNS(=O)(=O)CC(=O)N1C[C@@H](c2ccccc2)OCC1(C)C ZINC000083087938 436369154 /nfs/dbraw/zinc/36/91/54/436369154.db2.gz WCENTOFAMHSPAJ-ZDUSSCGKSA-N 0 0 326.418 0.914 10 0 ECAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)NCCNC(=O)c1ccco1 ZINC000087035089 436395236 /nfs/dbraw/zinc/39/52/36/436395236.db2.gz MIWVETILYZXTFQ-LLVKDONJSA-N 0 0 346.391 0.998 10 0 ECAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)CNC(=O)NCc1ccco1 ZINC000088280918 436401131 /nfs/dbraw/zinc/40/11/31/436401131.db2.gz HQPKXOYWPBWUIX-GFCCVEGCSA-N 0 0 346.391 0.884 10 0 ECAERN O=C(C[C@H](O)c1ccc(Cl)cc1)NC[C@H](O)CN1CCOCC1 ZINC000091036193 436440026 /nfs/dbraw/zinc/44/00/26/436440026.db2.gz HPUYVQXCQAKOFY-GJZGRUSLSA-N 0 0 342.823 0.573 10 0 ECAERN COc1ccc2oc(CNC(=O)C3CCN(CC(N)=O)CC3)nc2c1 ZINC000091270457 436449632 /nfs/dbraw/zinc/44/96/32/436449632.db2.gz HRDOBRZBYIKYML-UHFFFAOYSA-N 0 0 346.387 0.650 10 0 ECAERN NC(=O)[C@@H]1COCCN1C(=O)CCOc1ccc(F)cc1Cl ZINC000091782096 436460173 /nfs/dbraw/zinc/46/01/73/436460173.db2.gz NEAAOGDMRSUMKM-NSHDSACASA-N 0 0 330.743 0.961 10 0 ECAERN COc1cc2nc(N[C@H]3CCS(=O)(=O)C3)nc(N)c2cc1OC ZINC000089432336 436411297 /nfs/dbraw/zinc/41/12/97/436411297.db2.gz XFJILNNYJDGGKQ-QMMMGPOBSA-N 0 0 338.389 0.828 10 0 ECAERN CCCc1cc(NC(=O)C(=O)N2CCC[C@H](NC(C)=O)C2)n(C)n1 ZINC000093200212 436483794 /nfs/dbraw/zinc/48/37/94/436483794.db2.gz FQLPGGRKWRYRSZ-ZDUSSCGKSA-N 0 0 335.408 0.438 10 0 ECAERN C[C@@H](C(=O)Nc1ncccn1)N1CCCN(c2cccnn2)CC1 ZINC000105799308 436577754 /nfs/dbraw/zinc/57/77/54/436577754.db2.gz BZHLOWUYIQVTIC-ZDUSSCGKSA-N 0 0 327.392 0.806 10 0 ECAERN Cc1ccc(N2CCCN(CC(=O)N3C[C@@H](C)O[C@@H](C)C3)CC2)nn1 ZINC000105801111 436578467 /nfs/dbraw/zinc/57/84/67/436578467.db2.gz JBWAOAMMEDIVGZ-IYBDPMFKSA-N 0 0 347.463 0.933 10 0 ECAERN COc1ccc([C@H]2[C@H](S(=O)(=O)N3CCOCC3)CON2C)cc1 ZINC000096280631 436530567 /nfs/dbraw/zinc/53/05/67/436530567.db2.gz VKIZWRWZLPHQSY-CABCVRRESA-N 0 0 342.417 0.644 10 0 ECAERN Cc1ccc(C(=O)N2CC[C@@H](n3c4ncncc4n(C)c3=O)C2)cn1 ZINC000097940724 436544285 /nfs/dbraw/zinc/54/42/85/436544285.db2.gz YJIWBAGZPBBZBW-CYBMUJFWSA-N 0 0 338.371 0.921 10 0 ECAERN CCOCC[N@@H+]1CCN(Cc2cc(=O)n3[n-]ccc3n2)C[C@@H]1CC ZINC000108867483 436621931 /nfs/dbraw/zinc/62/19/31/436621931.db2.gz KADAIWYRZXAGMC-HNNXBMFYSA-N 0 0 333.436 0.955 10 0 ECAERN COC(=O)CNC(=O)[C@H](C)N1CCN(Cc2cnc(C)s2)CC1 ZINC000105814210 436580243 /nfs/dbraw/zinc/58/02/43/436580243.db2.gz XEAXPPJJZYURAQ-NSHDSACASA-N 0 0 340.449 0.247 10 0 ECAERN CCOc1cc(C)nc(N2CCN(CCCS(C)(=O)=O)CC2)n1 ZINC000105868863 436583411 /nfs/dbraw/zinc/58/34/11/436583411.db2.gz AZSNPVWRFMXMHN-UHFFFAOYSA-N 0 0 342.465 0.740 10 0 ECAERN CCOc1ccnc(N2CCN(CC(=O)N(C)CC3CC3)CC2)n1 ZINC000105868602 436583942 /nfs/dbraw/zinc/58/39/42/436583942.db2.gz ASMNJHKKQJMODA-UHFFFAOYSA-N 0 0 333.436 0.866 10 0 ECAERN CCCNC(=O)[C@H](C)N1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000105894349 436584419 /nfs/dbraw/zinc/58/44/19/436584419.db2.gz SVLYPJXOKWDIAG-IRXDYDNUSA-N 0 0 349.475 0.959 10 0 ECAERN CCc1nccn1[C@@H]1CCCN(C(=O)[C@@H](C)NS(C)(=O)=O)C1 ZINC000105882462 436585088 /nfs/dbraw/zinc/58/50/88/436585088.db2.gz KOROQARQIVQHFB-VXGBXAGGSA-N 0 0 328.438 0.547 10 0 ECAERN CCOC(=O)[C@H](C)N1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000105894435 436585560 /nfs/dbraw/zinc/58/55/60/436585560.db2.gz SROLGIHTGXHUPR-JKSUJKDBSA-N 0 0 336.432 0.996 10 0 ECAERN Cc1cc(C)n(C[C@H]2CN(Cc3cc(=O)n4nccc4[nH]3)CCO2)n1 ZINC000108867896 436621349 /nfs/dbraw/zinc/62/13/49/436621349.db2.gz BROIFLMYEBSKEC-OAHLLOKOSA-N 0 0 342.403 0.737 10 0 ECAERN COc1ccc2c(c1)OC[C@H](C(=O)N[C@H]1CCc3ncnn3C1)C2 ZINC000112648800 436632999 /nfs/dbraw/zinc/63/29/99/436632999.db2.gz KXWXBZGTWVCPLZ-OLZOCXBDSA-N 0 0 328.372 0.969 10 0 ECAERN O=S(=O)(Cc1ccc(Cl)nc1)N[C@H]1CCc2ncnn2C1 ZINC000113298774 436637467 /nfs/dbraw/zinc/63/74/67/436637467.db2.gz REAFXQWXIYSCGC-JTQLQIEISA-N 0 0 327.797 0.761 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)N1CCC(C(=O)OC)CC1)CC2 ZINC000114978308 436645792 /nfs/dbraw/zinc/64/57/92/436645792.db2.gz UNMVPSXDLSIVEP-LBPRGKRZSA-N 0 0 335.408 0.750 10 0 ECAERN CCOCCOCC(=O)N1CCN(Cc2c(C)nn(C)c2C)CC1 ZINC000115388964 436647241 /nfs/dbraw/zinc/64/72/41/436647241.db2.gz IFWFWRKXNQWDGK-UHFFFAOYSA-N 0 0 338.452 0.734 10 0 ECAERN Cn1cc([C@@H]2CCN(C(=O)NCCNC(=O)c3cccnc3)C2)cn1 ZINC000116529228 436650847 /nfs/dbraw/zinc/65/08/47/436650847.db2.gz HEAZYBWFCSAPPR-CQSZACIVSA-N 0 0 342.403 0.744 10 0 ECAERN CC(C)NC(=O)Cn1nc2c(N3CCCCCC3)nccn2c1=O ZINC000065151664 436652071 /nfs/dbraw/zinc/65/20/71/436652071.db2.gz DCKRZHYZKHKVMV-UHFFFAOYSA-N 0 0 332.408 0.796 10 0 ECAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)C1=NN(CCO)C(=O)CC1 ZINC000136957239 436653332 /nfs/dbraw/zinc/65/33/32/436653332.db2.gz GAXWZCUWKAYIQQ-AWEZNQCLSA-N 0 0 347.419 0.671 10 0 ECAERN CCS(=O)(=O)N1CCC(n2c(=O)n(C)c3cncnc32)CC1 ZINC000065256870 436654475 /nfs/dbraw/zinc/65/44/75/436654475.db2.gz UCTFXBPYYZUQQH-UHFFFAOYSA-N 0 0 325.394 0.117 10 0 ECAERN CNS(=O)(=O)c1ccc(C(=O)N2CC[C@H](c3cnn(C)c3)C2)o1 ZINC000116229508 436649452 /nfs/dbraw/zinc/64/94/52/436649452.db2.gz BILTYNUCFNTXSH-JTQLQIEISA-N 0 0 338.389 0.551 10 0 ECAERN CCc1nn(C)c(Cl)c1CN1CCN([C@H]2CCN(C)C2=O)CC1 ZINC000116278354 436649501 /nfs/dbraw/zinc/64/95/01/436649501.db2.gz ASTWKLRZDCTJKD-AWEZNQCLSA-N 0 0 339.871 0.984 10 0 ECAERN CCNC(=O)N1CC[C@@H](NC(=O)N2CCC[C@@H](n3cncn3)C2)C1 ZINC000120503687 436689332 /nfs/dbraw/zinc/68/93/32/436689332.db2.gz GMQFFDWMSYBEAH-CHWSQXEVSA-N 0 0 335.412 0.428 10 0 ECAERN CCNC(=O)N1CC[C@@H](NC(=O)N2CCC[C@@H]2Cn2ccnc2)C1 ZINC000120565232 436692894 /nfs/dbraw/zinc/69/28/94/436692894.db2.gz HBJHTFKODUYSKY-ZIAGYGMSSA-N 0 0 334.424 0.861 10 0 ECAERN C[C@@H](CNC(=O)c1cn(Cc2cccc(F)c2)nn1)N1CCOCC1 ZINC000120235821 436680928 /nfs/dbraw/zinc/68/09/28/436680928.db2.gz KRLQKSGRSFNAPE-ZDUSSCGKSA-N 0 0 347.394 0.916 10 0 ECAERN C[C@H](NS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1)c1nnc2n1CCCC2 ZINC000121771971 436724878 /nfs/dbraw/zinc/72/48/78/436724878.db2.gz FEISOEMFDZDDCY-UTUOFQBUSA-N 0 0 343.453 0.619 10 0 ECAERN O=C(CO)N1CCN(C[C@H](O)COCc2ccc(Cl)cc2)CC1 ZINC000152410560 436728842 /nfs/dbraw/zinc/72/88/42/436728842.db2.gz XLUAULQPIKBBET-HNNXBMFYSA-N 0 0 342.823 0.354 10 0 ECAERN O=C(Cn1nc2ccccn2c1=O)N1CCC(c2cc[nH]n2)CC1 ZINC000125139636 436764191 /nfs/dbraw/zinc/76/41/91/436764191.db2.gz IJBWCEJSOBWDFB-UHFFFAOYSA-N 0 0 326.360 0.625 10 0 ECAERN CNc1cc(N2CCC[C@@H]2CNC(=O)Cc2cc(C)[nH]n2)ncn1 ZINC000121386884 436716356 /nfs/dbraw/zinc/71/63/56/436716356.db2.gz ZALSAEMKZLUMBR-CYBMUJFWSA-N 0 0 329.408 0.878 10 0 ECAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NCCCc1c[nH]nc1C ZINC000121461566 436718335 /nfs/dbraw/zinc/71/83/35/436718335.db2.gz ZHDJDXWZOORVCF-AWEZNQCLSA-N 0 0 342.465 0.971 10 0 ECAERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1cnn(-c2ccccc2)c1 ZINC000128513386 436817204 /nfs/dbraw/zinc/81/72/04/436817204.db2.gz OQUAMHILAPSXSS-AWEZNQCLSA-N 0 0 341.371 0.548 10 0 ECAERN CCS(=O)(=O)N1CCN(C[C@H](O)COCc2ccccc2)CC1 ZINC000129010658 436822615 /nfs/dbraw/zinc/82/26/15/436822615.db2.gz KIIPSONEQDGIOS-INIZCTEOSA-N 0 0 342.461 0.531 10 0 ECAERN C[C@@H](CN1CCOCC1)NC(=O)N1CC[C@H](Oc2ccncc2)C1 ZINC000154026029 436769551 /nfs/dbraw/zinc/76/95/51/436769551.db2.gz IMDNJBSTOHGPFV-HOCLYGCPSA-N 0 0 334.420 0.965 10 0 ECAERN COC(=O)N[C@@H](C(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1)C(C)C ZINC000154186578 436772836 /nfs/dbraw/zinc/77/28/36/436772836.db2.gz OTZGHBDEUCASIB-TZMCWYRMSA-N 0 0 337.424 0.886 10 0 ECAERN CCc1noc(C)c1NC(=O)C(=O)N1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000246447736 436780256 /nfs/dbraw/zinc/78/02/56/436780256.db2.gz IVSAZJVXWGGMBH-MNOVXSKESA-N 0 0 338.408 0.397 10 0 ECAERN O=C(NCCCN1C(=O)CCC1=O)N1CCC(Cn2cccn2)CC1 ZINC000125965861 436780988 /nfs/dbraw/zinc/78/09/88/436780988.db2.gz JGYAKNMTHUWWKV-UHFFFAOYSA-N 0 0 347.419 0.844 10 0 ECAERN Cc1cc(NC(=O)CN2CCN(C(=O)C[C@@H](O)C(C)C)CC2)no1 ZINC000154687292 436784118 /nfs/dbraw/zinc/78/41/18/436784118.db2.gz WZTXEMZZRVWFNA-CYBMUJFWSA-N 0 0 338.408 0.473 10 0 ECAERN CCCCCS(=O)(=O)CC(=O)N1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000246685150 436784526 /nfs/dbraw/zinc/78/45/26/436784526.db2.gz JAICANGUWVRXNM-KBPBESRZSA-N 0 0 334.482 0.505 10 0 ECAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)C(F)(F)C1(O)CCC1 ZINC000155121970 436789349 /nfs/dbraw/zinc/78/93/49/436789349.db2.gz ZVWOVDBJNSCHMF-VIFPVBQESA-N 0 0 330.335 0.926 10 0 ECAERN C[C@H](O)CN1CCN(C(=O)C(=O)Nc2c(F)cccc2F)C[C@@H]1C ZINC000247147372 436790390 /nfs/dbraw/zinc/79/03/90/436790390.db2.gz UBGGFAULBULAGV-QWRGUYRKSA-N 0 0 341.358 0.817 10 0 ECAERN Cn1cnc(S(=O)(=O)N2CC[C@H]3OCCN(C)[C@@H]3C2)c1Cl ZINC000253394522 436841488 /nfs/dbraw/zinc/84/14/88/436841488.db2.gz JUWHCCOLDHNPHM-NXEZZACHSA-N 0 0 334.829 0.167 10 0 ECAERN C[C@H](O)CN1CCN(C(=O)c2nc3ccccc3c(=O)[nH]2)C[C@H]1C ZINC000253547725 436847775 /nfs/dbraw/zinc/84/77/75/436847775.db2.gz FXKWDEIRAFLWHQ-NEPJUHHUSA-N 0 0 330.388 0.863 10 0 ECAERN CS(=O)(=O)N1CCC[C@H](CN2CCO[C@H](Cn3cccn3)C2)C1 ZINC000131491569 436852897 /nfs/dbraw/zinc/85/28/97/436852897.db2.gz PZPQZXVKGWAPAR-CABCVRRESA-N 0 0 342.465 0.256 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)N(CC)CCS(C)(=O)=O)CC2 ZINC000132754054 436869840 /nfs/dbraw/zinc/86/98/40/436869840.db2.gz ZDAAJCLJVKXBFM-LLVKDONJSA-N 0 0 343.453 0.231 10 0 ECAERN O=C(NC[C@H]1CCCC[C@H]1O)C(=O)Nc1cnn(CC(F)F)c1 ZINC000157599715 436829788 /nfs/dbraw/zinc/82/97/88/436829788.db2.gz YGDBLEZZDOJSDI-MWLCHTKSSA-N 0 0 330.335 0.754 10 0 ECAERN O=C(c1ncn(-c2ccccc2)n1)N1CC[C@@H](N2CCOCC2)C1 ZINC000157750172 436835254 /nfs/dbraw/zinc/83/52/54/436835254.db2.gz NWQRNKDPQMJTFV-OAHLLOKOSA-N 0 0 327.388 0.814 10 0 ECAERN Cc1oc2[nH]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)NCCCO ZINC000162774946 436911809 /nfs/dbraw/zinc/91/18/09/436911809.db2.gz NGJVFZGNHQUBJX-UHFFFAOYSA-N 0 0 343.339 0.693 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)NC[C@@]2(O)CCC[C@@H]2C)C1 ZINC000263514219 436970320 /nfs/dbraw/zinc/97/03/20/436970320.db2.gz ZUADJNWDYMJWAC-ITDKRANNSA-N 0 0 327.425 0.774 10 0 ECAERN CN1CCO[C@@H](CNc2ncc(I)cn2)C1 ZINC000165188173 436935401 /nfs/dbraw/zinc/93/54/01/436935401.db2.gz MBFBMJMXWSVFMD-VIFPVBQESA-N 0 0 334.161 0.824 10 0 ECAERN C[N@@H+](CC(=O)[O-])C[C@@H]1CN(C(=O)c2ccc3c(c2)OCO3)CCO1 ZINC000262933316 436944331 /nfs/dbraw/zinc/94/43/31/436944331.db2.gz MJTDWDWJJVUYTH-GFCCVEGCSA-N 0 0 336.344 0.273 10 0 ECAERN O=C(NC[C@@]1(N2CCOCC2)CCSC1)[C@H]1CC(F)(F)CN1 ZINC000263075237 436950541 /nfs/dbraw/zinc/95/05/41/436950541.db2.gz XBBJODUFGNCVLX-YPMHNXCESA-N 0 0 335.420 0.308 10 0 ECAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)N[C@@H](C)CS(C)(=O)=O)CC2 ZINC000172590790 437021153 /nfs/dbraw/zinc/02/11/53/437021153.db2.gz FJTPJIYJEQKGGU-WDEREUQCSA-N 0 0 343.453 0.449 10 0 ECAERN O=C(N[C@H]1CCc2ncnn2C1)N1CCC(Cn2cccn2)CC1 ZINC000172603655 437022458 /nfs/dbraw/zinc/02/24/58/437022458.db2.gz IQBVDCGQSAEYFU-AWEZNQCLSA-N 0 0 329.408 0.911 10 0 ECAERN O=C(NCc1ccc(F)cc1)C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000172758633 437028507 /nfs/dbraw/zinc/02/85/07/437028507.db2.gz ZPKBTHOYAJVVRG-HNNXBMFYSA-N 0 0 335.379 0.375 10 0 ECAERN O=C(c1ccnc(-n2ccnc2)c1)N1CC[C@H](N2CCOCC2)C1 ZINC000172756121 437028610 /nfs/dbraw/zinc/02/86/10/437028610.db2.gz VMHBQGYEZWQGNP-HNNXBMFYSA-N 0 0 327.388 0.814 10 0 ECAERN O=C(c1ccc(-n2cnnc2)cc1)N1CC[C@@H](N2CCOCC2)C1 ZINC000172768388 437029551 /nfs/dbraw/zinc/02/95/51/437029551.db2.gz ITFBQFNJVDTBSF-MRXNPFEDSA-N 0 0 327.388 0.814 10 0 ECAERN CC1(C)CN(CCNc2cc(N3CCC[C@@H]3CO)ncn2)CCO1 ZINC000171543749 436982520 /nfs/dbraw/zinc/98/25/20/436982520.db2.gz HPXUVBADERXXIL-CQSZACIVSA-N 0 0 335.452 0.960 10 0 ECAERN C[C@@H](C(=O)N1CC[C@@H](Oc2cccnc2N(C)C)C1)n1cncn1 ZINC000275585069 436987107 /nfs/dbraw/zinc/98/71/07/436987107.db2.gz JVKNQDIUQQHZJO-QWHCGFSZSA-N 0 0 330.392 0.980 10 0 ECAERN C[C@@H](NC(=O)CCc1nc2c([nH]1)n(C)c(=O)[nH]c2=O)C1CCCC1 ZINC000172135849 436999862 /nfs/dbraw/zinc/99/98/62/436999862.db2.gz XFYFRQQKIOTSAC-SECBINFHSA-N 0 0 333.392 0.577 10 0 ECAERN COCCN1CCN(C(=O)c2ccc(-n3cnnn3)cc2)C[C@H]1C ZINC000172227614 437005319 /nfs/dbraw/zinc/00/53/19/437005319.db2.gz ZQKYGMXWEKFECY-CYBMUJFWSA-N 0 0 330.392 0.455 10 0 ECAERN Cc1cnn(CCNC(=O)NCc2ccnc(N3CCOCC3)c2)c1 ZINC000172272120 437007487 /nfs/dbraw/zinc/00/74/87/437007487.db2.gz JBEHACURZSWODA-UHFFFAOYSA-N 0 0 344.419 0.923 10 0 ECAERN COCCN1CCN(C(=O)NC2CCN(C(C)=O)CC2)C[C@H]1C ZINC000172322791 437008298 /nfs/dbraw/zinc/00/82/98/437008298.db2.gz PDMKDSHILCYNCC-CYBMUJFWSA-N 0 0 326.441 0.359 10 0 ECAERN Cc1cnn(CCNC(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)c1 ZINC000173200498 437041923 /nfs/dbraw/zinc/04/19/23/437041923.db2.gz VBHDBNVFLRWMSI-CQSZACIVSA-N 0 0 331.424 0.893 10 0 ECAERN CCC[C@@H](O)CNC(=O)NC[C@H]1CCCN1c1cc(NC)ncn1 ZINC000173425591 437050686 /nfs/dbraw/zinc/05/06/86/437050686.db2.gz YEKWIIQYBFRPSS-CHWSQXEVSA-N 0 0 336.440 0.947 10 0 ECAERN CCN1CCO[C@H](C(=O)N[C@@H]2CCCN(c3cc(C)nn3C)C2=O)C1 ZINC000173449892 437051096 /nfs/dbraw/zinc/05/10/96/437051096.db2.gz HYXMHNQUQVZVBA-KGLIPLIRSA-N 0 0 349.435 0.061 10 0 ECAERN CCc1nnc([C@@H]2CN(C(=O)c3cccc(C(=O)NC)c3)CCO2)[nH]1 ZINC000173611636 437058760 /nfs/dbraw/zinc/05/87/60/437058760.db2.gz RWIURSMHGXIWOW-ZDUSSCGKSA-N 0 0 343.387 0.940 10 0 ECAERN Cc1nc(CN2CCCN(S(=O)(=O)C[C@@H]3CCCO3)CC2)no1 ZINC000173825430 437065288 /nfs/dbraw/zinc/06/52/88/437065288.db2.gz IBQIXXMFANWZRN-ZDUSSCGKSA-N 0 0 344.437 0.395 10 0 ECAERN Cc1cccc(OCCNC(=O)CN2CC[C@H](N3CCOCC3)C2)c1 ZINC000173923405 437069392 /nfs/dbraw/zinc/06/93/92/437069392.db2.gz NWRPVXNEHXVYCR-KRWDZBQOSA-N 0 0 347.459 0.897 10 0 ECAERN CO[C@@H]1C[C@@H](CO)N(CC(=O)NCCOc2cccc(F)c2)C1 ZINC000284762174 437069933 /nfs/dbraw/zinc/06/99/33/437069933.db2.gz ZYYTWTNTWJAISZ-DZGCQCFKSA-N 0 0 326.368 0.402 10 0 ECAERN CCN1C[C@H](C(=O)N[C@@H]2CCCN(c3cc(C)nn3C)C2=O)CC1=O ZINC000173067023 437037260 /nfs/dbraw/zinc/03/72/60/437037260.db2.gz XYPHJBJEIDFOMW-CHWSQXEVSA-N 0 0 347.419 0.209 10 0 ECAERN CCn1cc(CN2CCCN(C(=O)[C@@H]3CN(C)CCO3)CC2)cn1 ZINC000174654977 437084706 /nfs/dbraw/zinc/08/47/06/437084706.db2.gz ZZZWQZPOSSSZDJ-INIZCTEOSA-N 0 0 335.452 0.268 10 0 ECAERN CCN1CCO[C@H](C(=O)N2CCC(N(C)c3cccnn3)CC2)C1 ZINC000174650341 437085322 /nfs/dbraw/zinc/08/53/22/437085322.db2.gz VABPVYOZVHCWFB-HNNXBMFYSA-N 0 0 333.436 0.625 10 0 ECAERN Cc1cc(C)n(C[C@H]2CN(S(=O)(=O)CCOC(C)C)CCO2)n1 ZINC000175111604 437095553 /nfs/dbraw/zinc/09/55/53/437095553.db2.gz WVUOVYJNMPNIRR-OAHLLOKOSA-N 0 0 345.465 0.956 10 0 ECAERN Cc1nccn1C[C@H]1CCCN1C(=O)NCCC(=O)N1CCOCC1 ZINC000175692041 437111753 /nfs/dbraw/zinc/11/17/53/437111753.db2.gz RAQOLFUQBWORRX-OAHLLOKOSA-N 0 0 349.435 0.614 10 0 ECAERN Cc1nn(C)c(C)c1CCNC(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000175688109 437112644 /nfs/dbraw/zinc/11/26/44/437112644.db2.gz LJMSLMNZLBSWCS-DYVFJYSZSA-N 0 0 349.479 0.942 10 0 ECAERN CN(C)C(=O)c1cccc(CCNC(=O)NC[C@H]2CN(C)CCO2)c1 ZINC000176435903 437144630 /nfs/dbraw/zinc/14/46/30/437144630.db2.gz JOEFFFVEDCRUGM-INIZCTEOSA-N 0 0 348.447 0.561 10 0 ECAERN CNc1nc(N2CCN(CCO)[C@H](C)C2)ncc1Br ZINC000302556423 437147134 /nfs/dbraw/zinc/14/71/34/437147134.db2.gz RVWDBTFGEKYTEH-SECBINFHSA-N 0 0 330.230 0.784 10 0 ECAERN COC(=O)CC1(CS(=O)(=O)N2CC[C@H](c3cnn(C)c3)C2)CC1 ZINC000176718046 437156110 /nfs/dbraw/zinc/15/61/10/437156110.db2.gz HMTPYKJHBFBGHK-LBPRGKRZSA-N 0 0 341.433 0.883 10 0 ECAERN CNc1cc(N2CCC[C@H]2CNC(=O)NCc2noc(C)n2)ncn1 ZINC000175695120 437112935 /nfs/dbraw/zinc/11/29/35/437112935.db2.gz FUGAQYZKLNKNMM-NSHDSACASA-N 0 0 346.395 0.678 10 0 ECAERN Cc1nn(C)c(C)c1CNC(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000175828490 437121661 /nfs/dbraw/zinc/12/16/61/437121661.db2.gz GGLKMVRFLAOZJV-LRDDRELGSA-N 0 0 335.452 0.899 10 0 ECAERN CC(=O)NCCNC(=O)CCC(=O)N1CCC[C@@H]1Cn1ccnc1C ZINC000177187331 437174591 /nfs/dbraw/zinc/17/45/91/437174591.db2.gz IMULRHJUCYOCDU-OAHLLOKOSA-N 0 0 349.435 0.215 10 0 ECAERN C[C@@H]1CN(C(=O)Nc2cccc(C(N)=O)c2)C[C@H]1N1CCOCC1 ZINC000177230976 437177071 /nfs/dbraw/zinc/17/70/71/437177071.db2.gz ADAAPKOQZIDVQA-IUODEOHRSA-N 0 0 332.404 0.970 10 0 ECAERN NC(=O)c1ccc(F)c(NC(=O)C(=O)N2CCN3CCCC[C@H]3C2)c1 ZINC000177390452 437181863 /nfs/dbraw/zinc/18/18/63/437181863.db2.gz YTPAJSKCUSAJLG-LBPRGKRZSA-N 0 0 348.378 0.560 10 0 ECAERN CCN(CCCNC(=O)N(C)C[C@H]1CCC[N@@H+]1CC)S(C)(=O)=O ZINC000177421389 437182583 /nfs/dbraw/zinc/18/25/83/437182583.db2.gz NTMJJCGNLFCNAT-CQSZACIVSA-N 0 0 348.513 0.784 10 0 ECAERN C[C@@H](SC[C@@H](O)CO)C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000177419689 437183706 /nfs/dbraw/zinc/18/37/06/437183706.db2.gz FFVDPFUJTFKTCR-DOMZBBRYSA-N 0 0 342.436 0.949 10 0 ECAERN O=C(Nc1ccc(-n2cccn2)nc1)C(=O)N[C@H]1CCCC[C@@H]1CO ZINC000177554785 437189060 /nfs/dbraw/zinc/18/90/60/437189060.db2.gz TYOVVLDSEWXAFD-OCCSQVGLSA-N 0 0 343.387 0.873 10 0 ECAERN Cn1c2ccccc2n(CCC(=O)N[C@@H]2CCCn3ncnc32)c1=O ZINC000177602765 437191726 /nfs/dbraw/zinc/19/17/26/437191726.db2.gz GCXGRAGZBGPPPW-GFCCVEGCSA-N 0 0 340.387 0.973 10 0 ECAERN COC(=O)[C@@H]1Cc2ccccc2CN1C[C@H](O)CN1CCCC1=O ZINC000178324281 437212788 /nfs/dbraw/zinc/21/27/88/437212788.db2.gz CFHCCLVWIAICSV-CVEARBPZSA-N 0 0 332.400 0.570 10 0 ECAERN O=C(NCCCNC(=O)N1CC[C@H](N2CCOCC2)C1)C1CCC1 ZINC000177020764 437165686 /nfs/dbraw/zinc/16/56/86/437165686.db2.gz QQDCYAIWPDTXLB-HNNXBMFYSA-N 0 0 338.452 0.409 10 0 ECAERN Cc1ccc2[nH]nc(C(=O)N3CCO[C@@H](C[N@@H+](C)CC(=O)[O-])C3)c2c1 ZINC000328602585 437237318 /nfs/dbraw/zinc/23/73/18/437237318.db2.gz CEHRFVKUANYKHA-LBPRGKRZSA-N 0 0 346.387 0.729 10 0 ECAERN Cn1cnnc1[C@@H]1CN(C[C@H](O)COCc2ccccc2)CCO1 ZINC000328627835 437241659 /nfs/dbraw/zinc/24/16/59/437241659.db2.gz GPQDONYLJDHJEZ-HOTGVXAUSA-N 0 0 332.404 0.766 10 0 ECAERN CCN1CCN(C(=O)C2=NN(C)C(=O)CC2)C[C@@H]1c1nccn1C ZINC000328629344 437241804 /nfs/dbraw/zinc/24/18/04/437241804.db2.gz ORVHUZXWSJDBLU-CYBMUJFWSA-N 0 0 332.408 0.234 10 0 ECAERN Cn1cnnc1[C@H]1CN(C[C@@H](O)COc2ccc(F)cc2)CCO1 ZINC000328631582 437243151 /nfs/dbraw/zinc/24/31/51/437243151.db2.gz KRVALEHFJVCETG-UKRRQHHQSA-N 0 0 336.367 0.767 10 0 ECAERN CN(C)C(=O)CCNC(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(F)cc1 ZINC000178975477 437246678 /nfs/dbraw/zinc/24/66/78/437246678.db2.gz HOLDLXJRSQIQOK-BBRMVZONSA-N 0 0 335.379 0.940 10 0 ECAERN CNC(=O)[C@H](NC(=O)CNC(=O)CCc1ccc(C)cc1)C(C)C ZINC000179128294 437252512 /nfs/dbraw/zinc/25/25/12/437252512.db2.gz NBKCNGVROLRUHI-QGZVFWFLSA-N 0 0 333.432 0.931 10 0 ECAERN O=C(Nc1cccnc1Cl)C(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000179844873 437276356 /nfs/dbraw/zinc/27/63/56/437276356.db2.gz QPLRYVFYDVAQJV-LLVKDONJSA-N 0 0 349.778 0.798 10 0 ECAERN COC(=O)CN(CCc1ccccc1)C[C@H](O)CN1CCCC1=O ZINC000180560242 437294255 /nfs/dbraw/zinc/29/42/55/437294255.db2.gz NGBKTQJXUXAWLO-INIZCTEOSA-N 0 0 334.416 0.687 10 0 ECAERN COCc1nc(CN2CCN(Cc3c(C)nn(C)c3C)CC2)no1 ZINC000182443219 437350714 /nfs/dbraw/zinc/35/07/14/437350714.db2.gz CQOVLCOCKRDDSQ-UHFFFAOYSA-N 0 0 334.424 0.884 10 0 ECAERN C[C@H]1CN(C(=O)Cc2ccc3c(c2)NC(=O)C3)C[C@@H]1N1CCOCC1 ZINC000182484116 437352559 /nfs/dbraw/zinc/35/25/59/437352559.db2.gz MLGPLENVSBIQPU-GUYCJALGSA-N 0 0 343.427 0.903 10 0 ECAERN O=C(NC[C@@H](O)CN1CCOCC1)c1cccc(Br)n1 ZINC000182587107 437355668 /nfs/dbraw/zinc/35/56/68/437355668.db2.gz WEBTXKLCNBEEON-SNVBAGLBSA-N 0 0 344.209 0.267 10 0 ECAERN Cc1cnn([C@H]2CCCN(C(=O)C(=O)Nc3ccc(=O)n(C)c3)C2)c1 ZINC000183112302 437374718 /nfs/dbraw/zinc/37/47/18/437374718.db2.gz WCMRSCQGISVXMM-AWEZNQCLSA-N 0 0 343.387 0.692 10 0 ECAERN Cn1c2ncn(CCN3CCO[C@H]4CCCC[C@@H]43)c2c(=O)n(C)c1=O ZINC000182051510 437336631 /nfs/dbraw/zinc/33/66/31/437336631.db2.gz ONDFRUOVXCEYFE-STQMWFEESA-N 0 0 347.419 0.077 10 0 ECAERN NC(=O)[C@H](c1ccc(Br)cc1F)N1C[C@H](O)C[C@@H]1CO ZINC000184722912 437411264 /nfs/dbraw/zinc/41/12/64/437411264.db2.gz SKASHQJFEHJTEF-LNLATYFQSA-N 0 0 347.184 0.542 10 0 ECAERN CC[C@@H](C)NC(=O)CCNC(=O)N1CCN(C[C@H](O)CC)CC1 ZINC000184914801 437418613 /nfs/dbraw/zinc/41/86/13/437418613.db2.gz VHBIBURXOHBEIU-ZIAGYGMSSA-N 0 0 328.457 0.389 10 0 ECAERN COCC(=O)NC1CN(C[C@@H](O)c2cccc(Br)c2)C1 ZINC000185087687 437424296 /nfs/dbraw/zinc/42/42/96/437424296.db2.gz LJBZXHDJSOZSPQ-CYBMUJFWSA-N 0 0 343.221 0.929 10 0 ECAERN COCC(=O)NC1CN(C[C@@H](O)CO[C@@H]2CCCc3ccccc32)C1 ZINC000185091611 437425634 /nfs/dbraw/zinc/42/56/34/437425634.db2.gz OFDBHNUAUYPULK-SJLPKXTDSA-N 0 0 348.443 0.888 10 0 ECAERN CC(C)Oc1ccc(CCNC(=O)CN2C[C@H](O)C[C@@H]2CO)cc1 ZINC000185131353 437427993 /nfs/dbraw/zinc/42/79/93/437427993.db2.gz CRRMTGQLGVELIX-HZPDHXFCSA-N 0 0 336.432 0.560 10 0 ECAERN O=C(c1ccccc1-n1ccnn1)N1CC[C@H](N2CCOCC2)C1 ZINC000183362896 437383541 /nfs/dbraw/zinc/38/35/41/437383541.db2.gz BKMBOKIAOMCZHV-AWEZNQCLSA-N 0 0 327.388 0.814 10 0 ECAERN Cc1noc([C@@H]2COCCN2C(=O)c2ccc3[nH]c(=O)[nH]c3c2)n1 ZINC000186617027 437479289 /nfs/dbraw/zinc/47/92/89/437479289.db2.gz GTJZWFHNXSOBHT-LBPRGKRZSA-N 0 0 329.316 0.761 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)N(CCO)CCCOC)CC2 ZINC000187178511 437495450 /nfs/dbraw/zinc/49/54/50/437495450.db2.gz DOMKVWQMTYMCSI-LBPRGKRZSA-N 0 0 325.413 0.196 10 0 ECAERN Cc1cc(N2CCC[C@@H](NS(=O)(=O)c3ccco3)C2=O)n(C)n1 ZINC000188736156 437569652 /nfs/dbraw/zinc/56/96/52/437569652.db2.gz SUJDHKHAIJCFAV-LLVKDONJSA-N 0 0 338.389 0.795 10 0 ECAERN O=C(c1cc(N2CCNC(=O)C2)ccn1)N1CCN2CCCC[C@@H]2C1 ZINC000190550817 437631769 /nfs/dbraw/zinc/63/17/69/437631769.db2.gz JBRFIGVASZEOAL-OAHLLOKOSA-N 0 0 343.431 0.328 10 0 ECAERN C[C@H]1OCCC[C@@H]1C(=O)N1CCN(c2ncccc2C(N)=O)CC1 ZINC000190716868 437635831 /nfs/dbraw/zinc/63/58/31/437635831.db2.gz OLGVHCRDSFWZNB-OLZOCXBDSA-N 0 0 332.404 0.644 10 0 ECAERN CCn1cc([C@H]2CN(Cc3cc(=O)n4nccc4[nH]3)CCO2)cn1 ZINC000190831016 437639926 /nfs/dbraw/zinc/63/99/26/437639926.db2.gz SVEZBWRUYRXSOH-CQSZACIVSA-N 0 0 328.376 0.813 10 0 ECAERN CCOC(=O)C1CCC(O)(C[NH+]2CCN([C@H](CC)CO)CC2)CC1 ZINC000190917678 437640375 /nfs/dbraw/zinc/64/03/75/437640375.db2.gz DQMUOOKSPSSUPT-UPTPFMHGSA-N 0 0 342.480 0.859 10 0 ECAERN O=S(=O)(Cc1ccn(-c2ccc(F)cc2F)n1)C[C@H](O)CO ZINC000191983724 437658693 /nfs/dbraw/zinc/65/86/93/437658693.db2.gz WJSNPHCRMCMUBS-LLVKDONJSA-N 0 0 332.328 0.419 10 0 ECAERN C[C@H](C1CC1)n1nccc1NC(=O)C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000192098942 437667221 /nfs/dbraw/zinc/66/72/21/437667221.db2.gz XSFIZZBVDXUMMD-SNVBAGLBSA-N 0 0 345.403 0.530 10 0 ECAERN CO[C@H]1C[C@H](C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)N(S(C)(=O)=O)C1 ZINC000365768110 437968537 /nfs/dbraw/zinc/96/85/37/437968537.db2.gz RNJSIOFVOHXCLF-QSLWVIQJSA-N 0 0 332.466 0.976 10 0 ECAERN CC(=O)N1CSC[C@@H]1C(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000371815315 437995344 /nfs/dbraw/zinc/99/53/44/437995344.db2.gz SFRAJIMHHUTPIX-IACUBPJLSA-N 0 0 327.450 0.087 10 0 ECAERN COC(C)(C)CNC(=O)N1CC[C@@H](Nc2ccc3nccn3n2)C1 ZINC000435136935 438347601 /nfs/dbraw/zinc/34/76/01/438347601.db2.gz AFZJSXWWHZYRKS-GFCCVEGCSA-N 0 0 332.408 1.350 10 0 ECAERN Cc1oc(Br)cc1C(=O)N1CC[C@]2(C1)NC(=O)NC2=O ZINC000396655664 438447299 /nfs/dbraw/zinc/44/72/99/438447299.db2.gz MDQQPXHKWNZOQJ-GFCCVEGCSA-N 0 0 342.149 0.775 10 0 ECAERN C[C@H]1CC[C@H](O)CN1C(=O)Cn1cc(Br)ccc1=O ZINC000399203286 438454045 /nfs/dbraw/zinc/45/40/45/438454045.db2.gz DAPKSPRNTOYKCG-ONGXEEELSA-N 0 0 329.194 0.983 10 0 ECAERN O=C(N[C@H]1CCC(=O)N[C@@H]1[C@@H]1CCCO1)c1cn2cccnc2n1 ZINC000568033057 439207034 /nfs/dbraw/zinc/20/70/34/439207034.db2.gz WHKKTXSQKPVZGE-JKOKRWQUSA-N 0 0 329.360 0.285 10 0 ECAERN CO[C@H]1C[C@@H](C(N)=O)N(C(=O)c2cnc(-c3ccccc3)nc2)C1 ZINC000581682161 439243858 /nfs/dbraw/zinc/24/38/58/439243858.db2.gz DSZQYLRMEKIJJJ-KBPBESRZSA-N 0 0 326.356 0.858 10 0 ECAERN NC(=O)[C@]1(O)CCCN(C(=O)c2ncsc2Br)C1 ZINC000584241868 439568795 /nfs/dbraw/zinc/56/87/95/439568795.db2.gz YGCKLIDZWLSECH-JTQLQIEISA-N 0 0 334.195 0.358 10 0 ECAERN NS(=O)(=O)c1ccnc(-c2ccc(CO)cc2)c1-c1nn[nH]n1 ZINC000584636819 439605159 /nfs/dbraw/zinc/60/51/59/439605159.db2.gz DYFBHJVSLCFRQD-UHFFFAOYSA-N 0 0 332.345 0.068 10 0 ECAERN Nc1ncc(-c2cc3ccccc3o2)nc1C(=O)NC[C@H](O)CO ZINC000584661684 439606803 /nfs/dbraw/zinc/60/68/03/439606803.db2.gz HYFRGTJIUFJVJE-JTQLQIEISA-N 0 0 328.328 0.555 10 0 ECAERN CN(C[C@@H]1CN(C)CCO1)c1ncc(I)cn1 ZINC000613274198 439754358 /nfs/dbraw/zinc/75/43/58/439754358.db2.gz NISHIAAECFUCKU-JTQLQIEISA-N 0 0 348.188 0.848 10 0 ECAERN CCOC(=O)c1ccccc1[C@@H]1CCN(S(N)(=O)=O)CCO1 ZINC000616666874 439820684 /nfs/dbraw/zinc/82/06/84/439820684.db2.gz ZRXQTAXIFMVGCD-ZDUSSCGKSA-N 0 0 328.390 0.830 10 0 ECAERN CCOC(=O)c1ccc([C@@H]2CCN(S(N)(=O)=O)CCO2)cc1 ZINC000616593454 439820750 /nfs/dbraw/zinc/82/07/50/439820750.db2.gz KHVNVIVSAIFGOA-ZDUSSCGKSA-N 0 0 328.390 0.830 10 0 ECAERN NC(=O)c1ccccc1[C@@H]1CN(S(N)(=O)=O)c2ccccc2N1 ZINC000616680205 439820906 /nfs/dbraw/zinc/82/09/06/439820906.db2.gz LCEHMNCLPVFUTL-ZDUSSCGKSA-N 0 0 332.385 0.962 10 0 ECAERN CC(C)(C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H]1C[C@H](O)[C@H]1n1cccn1 ZINC000616768483 439821980 /nfs/dbraw/zinc/82/19/80/439821980.db2.gz DTGKWOCWOVBSCD-MQYQWHSLSA-N 0 0 334.420 0.711 10 0 ECAERN CCn1cc(O[C@@H]2CN(C(=O)c3cnc4[nH]ccc4c3)C[C@H]2O)cn1 ZINC000628250497 440442915 /nfs/dbraw/zinc/44/29/15/440442915.db2.gz SLDQFZQHDAYJSC-HUUCEWRRSA-N 0 0 341.371 0.995 10 0 ECAERN Cc1noc([C@H]2CN(C(=O)Cn3ccc(C)cc3=O)C[C@@H](C)O2)n1 ZINC000628861975 440562979 /nfs/dbraw/zinc/56/29/79/440562979.db2.gz GLJUIDCOUDBAFO-DGCLKSJQSA-N 0 0 332.360 0.837 10 0 ECAERN CCN1C(=O)CC[C@H](C(=O)NCCn2ccnc2)[C@H]1c1nccn1C ZINC000666352176 440622768 /nfs/dbraw/zinc/62/27/68/440622768.db2.gz PXESTFVIHOHKCX-ZFWWWQNUSA-N 0 0 344.419 0.733 10 0 ECAERN CN1c2ccccc2CN(C(=O)[C@@H]2CC[C@H](C(=O)[O-])[NH2+]C2)CC1=O ZINC000630702486 440944263 /nfs/dbraw/zinc/94/42/63/440944263.db2.gz DOAJCTGORYZNAY-DGCLKSJQSA-N 0 0 331.372 0.444 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)NCC(C)(C)N2CCOCC2)CC1 ZINC000184706009 320534240 /nfs/dbraw/zinc/53/42/40/320534240.db2.gz ZOZWKZKHJGBZFR-OAHLLOKOSA-N 0 0 342.484 0.195 10 0 ECAERN Cn1nccc1[C@@H]1[C@@H](C(=O)N2CC[C@]3(CCOC3)C2)CC(=O)N1C ZINC000328930124 320742388 /nfs/dbraw/zinc/74/23/88/320742388.db2.gz YYIPXOKNDBEVOG-NUTKFTJISA-N 0 0 332.404 0.579 10 0 ECAERN CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C[C@@H]1CCCCNC1=O ZINC000329286462 320764202 /nfs/dbraw/zinc/76/42/02/320764202.db2.gz ORSOLCVBJRRIRH-RYUDHWBXSA-N 0 0 331.438 0.673 10 0 ECAERN CC(C)[C@H]1N(C(=O)C2CCN(S(N)(=O)=O)CC2)C[C@@]12CCCO2 ZINC000329346117 320767634 /nfs/dbraw/zinc/76/76/34/320767634.db2.gz VACMBDKWOWGJEL-HIFRSBDPSA-N 0 0 345.465 0.318 10 0 ECAERN Cn1cc([C@]2(C)CN(C(=O)c3cnn4ccncc34)CCO2)cn1 ZINC000329576553 320779563 /nfs/dbraw/zinc/77/95/63/320779563.db2.gz VVKMUNRXMVGLNB-INIZCTEOSA-N 0 0 326.360 0.851 10 0 ECAERN C[C@@H]1CN(S(=O)(=O)N2CC[C@H](Oc3ccncc3)C2)C[C@@H](C)O1 ZINC000329890536 320793670 /nfs/dbraw/zinc/79/36/70/320793670.db2.gz GKRAQYVEMZHHHP-NFAWXSAZSA-N 0 0 341.433 0.889 10 0 ECAERN C[C@H](NC(=O)c1cccs1)C(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188476401 533763353 /nfs/dbraw/zinc/76/33/53/533763353.db2.gz HFHZFXWZLIFKJF-JTQLQIEISA-N 0 0 335.429 0.994 10 0 ECAERN C[C@@H](Oc1cccc(Cl)c1)C(=O)NC[C@@H](O)CN1CCOCC1 ZINC000154148839 533945690 /nfs/dbraw/zinc/94/56/90/533945690.db2.gz GAVMRIPZVGKZRP-TZMCWYRMSA-N 0 0 342.823 0.917 10 0 ECAERN C[C@@H](Oc1cccc(Cl)c1)C(=O)NC[C@H](O)CN1CCOCC1 ZINC000154148671 533945989 /nfs/dbraw/zinc/94/59/89/533945989.db2.gz GAVMRIPZVGKZRP-OCCSQVGLSA-N 0 0 342.823 0.917 10 0 ECAERN C[C@H]1CN([C@@H](CNC(=O)NCCC(N)=O)c2cccs2)CCO1 ZINC000178512299 533975228 /nfs/dbraw/zinc/97/52/28/533975228.db2.gz UEDJWYRNWADOCN-RYUDHWBXSA-N 0 0 340.449 0.685 10 0 ECAERN C[C@@H]1CN(C(=O)C(=O)Nc2cnn(Cc3ccncc3)c2)C[C@@H](C)O1 ZINC000178783944 534298429 /nfs/dbraw/zinc/29/84/29/534298429.db2.gz DCQGIMQDZVOGBY-CHWSQXEVSA-N 0 0 343.387 0.901 10 0 ECAERN C[C@@H]1CN(C(=O)c2cccc(NC(N)=O)c2)C[C@@H]1N1CCOCC1 ZINC000173960843 534429925 /nfs/dbraw/zinc/42/99/25/534429925.db2.gz VXHUYSYIDGAIPF-DOMZBBRYSA-N 0 0 332.404 0.970 10 0 ECAERN O=C(Nc1ccon1)C(=O)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000186124897 534434395 /nfs/dbraw/zinc/43/43/95/534434395.db2.gz OUKHKSQQDMLWGN-AWEZNQCLSA-N 0 0 344.371 0.491 10 0 ECAERN NC(=O)[C@H]1COCCN1C[C@H](O)COCc1ccccc1Cl ZINC000179726361 534461782 /nfs/dbraw/zinc/46/17/82/534461782.db2.gz HXXNIOLKYHUPOD-GXTWGEPZSA-N 0 0 328.796 0.404 10 0 ECAERN CC(=O)NC1CN(C(=O)C(=O)Nc2ccnn2-c2cccc(F)c2)C1 ZINC000191339840 526705097 /nfs/dbraw/zinc/70/50/97/526705097.db2.gz FSCAVVWMQXVSKZ-UHFFFAOYSA-N 0 0 345.334 0.297 10 0 ECAERN CCNC(=O)c1cccc(CNC(=O)N[C@H]2CCc3ncnn3C2)c1 ZINC000171868384 528267160 /nfs/dbraw/zinc/26/71/60/528267160.db2.gz VRPYPRYNNZKKQO-AWEZNQCLSA-N 0 0 342.403 0.842 10 0 ECAERN CCC(=O)N1CC[C@H](C(=O)N2CCO[C@H](Cn3nc(C)cc3C)C2)C1 ZINC000161895591 528362299 /nfs/dbraw/zinc/36/22/99/528362299.db2.gz OEJSHFZRLAJUKX-HOTGVXAUSA-N 0 0 348.447 0.986 10 0 ECAERN CCCc1cc(NC(=O)C(=O)N2CC(NC(=O)C3CC3)C2)n(C)n1 ZINC000187982587 528602703 /nfs/dbraw/zinc/60/27/03/528602703.db2.gz JKRDMDGUXFATNS-UHFFFAOYSA-N 0 0 333.392 0.048 10 0 ECAERN CC(C)NC(=O)CCNC(=O)N1CCC(Nc2cccnn2)CC1 ZINC000153274841 529122254 /nfs/dbraw/zinc/12/22/54/529122254.db2.gz CIWSDCHXDNZOFK-UHFFFAOYSA-N 0 0 334.424 0.977 10 0 ECAERN Cn1c2ccc(S(=O)(=O)NCC[C@@H]3CCCO3)cc2oc1=O ZINC000074039988 545683422 /nfs/dbraw/zinc/68/34/22/545683422.db2.gz IJGXUPREDHVXOZ-JTQLQIEISA-N 0 0 326.374 0.979 10 0 ECAERN CCOCCN1CCN([C@@H](C)C(=O)NC(=O)NC2CC2)C[C@@H]1C ZINC000105835120 545738872 /nfs/dbraw/zinc/73/88/72/545738872.db2.gz PPIHSXGBZSEQSK-STQMWFEESA-N 0 0 326.441 0.406 10 0 ECAERN CCn1cc(CN2CCCN(C(=O)[C@H]3C[C@@H]3C(=O)OC)CC2)cn1 ZINC000105831100 545740135 /nfs/dbraw/zinc/74/01/35/545740135.db2.gz JEQLANCIJCSUQK-GJZGRUSLSA-N 0 0 334.420 0.746 10 0 ECAERN C[C@@H](C(=O)NCCCN1CCCC1=O)N1C(=O)c2ccccc2C1=O ZINC000243319029 545934109 /nfs/dbraw/zinc/93/41/09/545934109.db2.gz LMERNKLBSJXVCE-LBPRGKRZSA-N 0 0 343.383 0.800 10 0 ECAERN CN1CCO[C@@H](CNC(=O)NCc2ccc([S@@](C)=O)cc2)C1 ZINC000246593160 545939894 /nfs/dbraw/zinc/93/98/94/545939894.db2.gz VHNKDJDTIZXCPW-WHEQGISXSA-N 0 0 325.434 0.554 10 0 ECAERN Cn1ncc(Br)c1C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000620468625 546431114 /nfs/dbraw/zinc/43/11/14/546431114.db2.gz GSHUXUCQPRRXSU-SNVBAGLBSA-N 0 0 343.225 0.729 10 0 ECAERN CCCC(=O)NCC(=O)NCc1cc(C)nc(N2CCOCC2)n1 ZINC000224233094 564088863 /nfs/dbraw/zinc/08/88/63/564088863.db2.gz IOKVRQFGRXLFCF-UHFFFAOYSA-N 0 0 335.408 0.154 10 0 ECAERN CO[C@H]1C[C@H](C(=O)n2ccccc2=NC(C)C)N(S(C)(=O)=O)C1 ZINC000790701594 578878873 /nfs/dbraw/zinc/87/88/73/578878873.db2.gz LIKDPEFOMWWFLM-QWHCGFSZSA-N 0 0 341.433 0.486 10 0 ECAERN CCc1nnc(C)cc1C(=O)N[C@H]1COC[C@H]1Oc1cnn(C)c1 ZINC000888078286 586246465 /nfs/dbraw/zinc/24/64/65/586246465.db2.gz GMRIHQZPJRYPST-LSDHHAIUSA-N 0 0 331.376 0.657 10 0 ECAERN CNC(=O)[C@H]1CC(=O)N(C2CN(C(=O)c3cc(F)ccc3C)C2)C1 ZINC000888098583 586349712 /nfs/dbraw/zinc/34/97/12/586349712.db2.gz OZZCRKYDMSLTAV-NSHDSACASA-N 0 0 333.363 0.553 10 0 ECAERN O=S(=O)(N[C@@H]1C[C@@H](O)C12CCOCC2)c1ccc2c(c1)OCO2 ZINC000888098343 586349991 /nfs/dbraw/zinc/34/99/91/586349991.db2.gz GBVNBRQJOCDQAI-ZIAGYGMSSA-N 0 0 341.385 0.624 10 0 ECAERN CN1C(=O)CS/C1=C\C(=O)N1CC[C@H](n2cc(C3CC3)nn2)C1 ZINC000899090392 586469816 /nfs/dbraw/zinc/46/98/16/586469816.db2.gz YOOZJMQLLZUIOA-AQCBWYQMSA-N 0 0 333.417 0.976 10 0 ECAERN CC1=C(C)C(=O)N(CCC(=O)N2CCn3c(nnc3C3CC3)C2)C1=O ZINC000900667464 586653195 /nfs/dbraw/zinc/65/31/95/586653195.db2.gz DJVNTUKGPOLFKG-UHFFFAOYSA-N 0 0 343.387 0.593 10 0 ECAERN C[C@@H](C(=O)N1CC[C@@]2(CNC(=O)C2)C1)N1C(=O)c2ccccc2C1=O ZINC000170191778 586787525 /nfs/dbraw/zinc/78/75/25/586787525.db2.gz KEBKCAXSDGAFCN-BBATYDOGSA-N 0 0 341.367 0.410 10 0 ECAERN Cc1nc([C@@H]2CCCN(C(=O)CCNC(=O)CO)C2)sc1C ZINC000906808272 586982445 /nfs/dbraw/zinc/98/24/45/586982445.db2.gz CURLDAPVMRVIII-GFCCVEGCSA-N 0 0 325.434 0.965 10 0 ECAERN Cc1nnc2n1C[C@H](C(N)=O)N(C(=O)CCc1ccccc1C)C2 ZINC000818350516 587424678 /nfs/dbraw/zinc/42/46/78/587424678.db2.gz SZOMTMJDWOIMRN-CQSZACIVSA-N 0 0 327.388 0.724 10 0 ECAERN CC(=O)N[C@H]1CCCN(Cn2nnn(C3CCOCC3)c2=S)C1 ZINC000106062460 589173006 /nfs/dbraw/zinc/17/30/06/589173006.db2.gz QVXACMHEWRSKIB-LBPRGKRZSA-N 0 0 340.453 0.719 10 0 ECAERN C[C@@H](OC(=O)CCc1nc2c([nH]1)n(C)c(=O)[nH]c2=O)c1cccnc1 ZINC000113482367 589638909 /nfs/dbraw/zinc/63/89/09/589638909.db2.gz JHIRBWGWYIKBFO-SECBINFHSA-N 0 0 343.343 0.582 10 0 ECAERN CN(C)c1nc([C@@H]2CCN(C(=O)Cc3cnn(C)c3)C2)cc(=O)[nH]1 ZINC000864840668 590110060 /nfs/dbraw/zinc/11/00/60/590110060.db2.gz AOJJTUUGLYCXMM-GFCCVEGCSA-N 0 0 330.392 0.540 10 0 ECAERN CN(C)c1nc([C@@H]2CCN(C(=O)c3ccn(C)c(=O)c3)C2)cc(=O)[nH]1 ZINC000864842235 590110671 /nfs/dbraw/zinc/11/06/71/590110671.db2.gz USEQEIFQWFPWTL-GFCCVEGCSA-N 0 0 343.387 0.577 10 0 ECAERN Cc1ccc(C[C@H](C)NC(=O)C[C@H]2CS(=O)(=O)CCN2)s1 ZINC000126792110 590486332 /nfs/dbraw/zinc/48/63/32/590486332.db2.gz BCGRGGBKPKCSSX-JQWIXIFHSA-N 0 0 330.475 0.880 10 0 ECAERN Cc1cc(NC(=O)[C@H](C)NC2=NS(=O)(=O)c3ccccc32)n[nH]1 ZINC000126859079 590493305 /nfs/dbraw/zinc/49/33/05/590493305.db2.gz MCAHHPNLDNININ-VIFPVBQESA-N 0 0 333.373 0.784 10 0 ECAERN O=C(c1cc(Cl)ncc1Cl)N1CC[C@]2(C1)NC(=O)NC2=O ZINC000129383362 590506462 /nfs/dbraw/zinc/50/64/62/590506462.db2.gz KZOKGBLZDCJTAE-GFCCVEGCSA-N 0 0 329.143 0.813 10 0 ECAERN CN(C(=O)CSc1nncn1C)[C@H]1CCCN(c2cccnn2)C1 ZINC000136359939 590781170 /nfs/dbraw/zinc/78/11/70/590781170.db2.gz ZOHUIHCTUBCCHE-LBPRGKRZSA-N 0 0 347.448 0.825 10 0 ECAERN CN1C(=O)C[C@@H](CNS(=O)(=O)c2cccnc2)[C@@H]1c1cccnc1 ZINC000886036570 590787525 /nfs/dbraw/zinc/78/75/25/590787525.db2.gz WFAVJENQBVIIIM-BBRMVZONSA-N 0 0 346.412 0.975 10 0 ECAERN CN(C)c1ccc(N[C@H]2CCCN(C(=O)Cn3cnnn3)CC2)cn1 ZINC000886050406 590788979 /nfs/dbraw/zinc/78/89/79/590788979.db2.gz KZNAYFAUGXGLMB-ZDUSSCGKSA-N 0 0 344.423 0.627 10 0 ECAERN CC(C)Oc1cc(N2CCC[C@](O)(Cc3nncn3C)C2)ncn1 ZINC000886065448 590789994 /nfs/dbraw/zinc/78/99/94/590789994.db2.gz DUELJOFLPPLZGK-INIZCTEOSA-N 0 0 332.408 0.966 10 0 ECAERN CO[C@@H]1CN(C(=O)CN2CCCCCC2=O)C[C@H]1c1cn(C)nn1 ZINC000886075468 590790564 /nfs/dbraw/zinc/79/05/64/590790564.db2.gz LKHMOTIPJZXAEY-GXTWGEPZSA-N 0 0 335.408 0.159 10 0 ECAERN CCN1CCO[C@@H](CNC(=O)Cn2ccnc2C)[C@@H]1c1nccn1C ZINC000886079303 590791918 /nfs/dbraw/zinc/79/19/18/590791918.db2.gz QLUUZZBACGDTKE-GOEBONIOSA-N 0 0 346.435 0.503 10 0 ECAERN CO[C@H]1CCCCN(CC(=O)N2CCC(Cn3ccnn3)CC2)C1=O ZINC000886088205 590793817 /nfs/dbraw/zinc/79/38/17/590793817.db2.gz NCDGCXOTFBLKDP-HNNXBMFYSA-N 0 0 349.435 0.544 10 0 ECAERN Cn1ccnc1[C@@H]1[C@@H](CNC(=O)Cn2cccn2)CCC(=O)N1C ZINC000886085622 590793921 /nfs/dbraw/zinc/79/39/21/590793921.db2.gz XMFDKYAUWNCWCY-DOMZBBRYSA-N 0 0 330.392 0.343 10 0 ECAERN COC(=O)c1cc(NC(=O)N2CCN(C[C@@H](C)O)[C@@H](C)C2)nn1C ZINC000889069134 591039201 /nfs/dbraw/zinc/03/92/01/591039201.db2.gz UZXCUOCMRNEQEA-WDEREUQCSA-N 0 0 339.396 0.126 10 0 ECAERN CN(C)c1nc([C@H]2CCN(C(=O)Cc3cncn3C)C2)cc(=O)[nH]1 ZINC000827907402 591169366 /nfs/dbraw/zinc/16/93/66/591169366.db2.gz WBEKFCXPCOBCJA-NSHDSACASA-N 0 0 330.392 0.540 10 0 ECAERN O=C(N[C@@H]1C[C@@H](O)C12CCOCC2)c1cccc(-n2ccnn2)c1 ZINC000828873406 591169843 /nfs/dbraw/zinc/16/98/43/591169843.db2.gz GENFPRNRSYJHMZ-HUUCEWRRSA-N 0 0 328.372 0.927 10 0 ECAERN C[C@H](NC(=O)C(=O)Nc1ccc(-n2nccn2)cc1)[C@@H]1CCCO1 ZINC000041916013 611432216 /nfs/dbraw/zinc/43/22/16/611432216.db2.gz UEKXYRXYODRLAA-FZMZJTMJSA-N 0 0 329.360 0.890 10 0 ECAERN CC[C@H](C)[C@H]1Nc2ncnc(NCC(=O)N3CCOCC3)c2NC1=O ZINC000224000642 608960228 /nfs/dbraw/zinc/96/02/28/608960228.db2.gz SUOLYFYIUUPIPP-CMPLNLGQSA-N 0 0 348.407 0.526 10 0 ECAERN CN(C[C@@H]1OCCN(C)[C@H]1c1ccccc1)C(=O)[C@@H](O)C(C)(C)O ZINC000908101539 609644141 /nfs/dbraw/zinc/64/41/41/609644141.db2.gz BRQCIGGQGFSFAK-HRCADAONSA-N 0 0 336.432 0.649 10 0 ECAERN CN(C)c1cccnc1C(=O)N1CCC[C@@](O)(C(=O)N2CCCC2)C1 ZINC000908107418 609644434 /nfs/dbraw/zinc/64/44/34/609644434.db2.gz JYDDVOAUXYWDMC-SFHVURJKSA-N 0 0 346.431 0.737 10 0 ECAERN COC(=O)C[C@@H]1COCCN1C(=O)C1C[C@H]2CSC[C@@H](C1)C2=O ZINC000908212222 609647882 /nfs/dbraw/zinc/64/78/82/609647882.db2.gz SPSJIDHTORPPAI-PSEXLTFBSA-N 0 0 341.429 0.735 10 0 ECAERN CC(C)O[C@]1(C(=O)N2CCN(c3cc(F)ncn3)CC2)CCOC1 ZINC000908886644 609667145 /nfs/dbraw/zinc/66/71/45/609667145.db2.gz WEKKQIPNVYHNBK-MRXNPFEDSA-N 0 0 338.383 0.848 10 0 ECAERN Cc1nn(C)c2ncc(C(=O)N[C@@H]3C[C@H](O)[C@@H]3n3cccn3)cc12 ZINC000909160906 609679399 /nfs/dbraw/zinc/67/93/99/609679399.db2.gz XZPZJWXZIQTDDC-HZSPNIEDSA-N 0 0 326.360 0.578 10 0 ECAERN COCCn1cnc2oc(C)c(C(=O)N3CCC(O)CC3)c2c1=O ZINC000222754249 609704284 /nfs/dbraw/zinc/70/42/84/609704284.db2.gz HGLCPMMQRUZAEG-UHFFFAOYSA-N 0 0 335.360 0.541 10 0 ECAERN Cc1nc(CC(=O)N2CCN(c3ncccn3)CC2)c(C)c(=O)[nH]1 ZINC000222936774 609706335 /nfs/dbraw/zinc/70/63/35/609706335.db2.gz SOEAHKWWWCUUSC-UHFFFAOYSA-N 0 0 328.376 0.068 10 0 ECAERN CN1C(=O)CO[C@@H](C(=O)NCC2(CO)CC2)[C@@H]1c1ccc(F)cc1 ZINC000223225433 609708931 /nfs/dbraw/zinc/70/89/31/609708931.db2.gz MMOSKYIRGVCRSM-LSDHHAIUSA-N 0 0 336.363 0.613 10 0 ECAERN CC(=O)N1CCC[C@@H](C(=O)N2CCn3c(nnc3C(F)(F)F)C2)C1 ZINC000223489531 609711347 /nfs/dbraw/zinc/71/13/47/609711347.db2.gz CAOBAIBNQLSONN-SNVBAGLBSA-N 0 0 345.325 0.898 10 0 ECAERN CCCS(=O)(=O)N1CCN(C(=O)c2nn3c(c2C)OCC3)CC1 ZINC000223829136 609714746 /nfs/dbraw/zinc/71/47/46/609714746.db2.gz FBOAINXEGPSHQS-UHFFFAOYSA-N 0 0 342.421 0.082 10 0 ECAERN COc1ccc(CN2C(=O)COC[C@H]2C(=O)NC2CC2)c(OC)c1 ZINC000169749276 609745155 /nfs/dbraw/zinc/74/51/55/609745155.db2.gz WGVOPOIIUJZNET-AWEZNQCLSA-N 0 0 334.372 0.710 10 0 ECAERN O=c1oc(-c2ccccc2)nn1CN1CC[C@H](N2CCOCC2)C1 ZINC000172959891 609776623 /nfs/dbraw/zinc/77/66/23/609776623.db2.gz XVDAWUMLCKWEHU-HNNXBMFYSA-N 0 0 330.388 0.867 10 0 ECAERN CNS(=O)(=O)c1cc(C(=O)N[C@H]2CCCC[C@H]2O)ccc1F ZINC000152218713 609839922 /nfs/dbraw/zinc/83/99/22/609839922.db2.gz RWOHRVWSPVDMHA-NWDGAFQWSA-N 0 0 330.381 0.767 10 0 ECAERN Cc1cnn([C@H]2CCCN(CN3C(=O)NC4(CCOCC4)C3=O)C2)c1 ZINC000152958833 609888003 /nfs/dbraw/zinc/88/80/03/609888003.db2.gz MKAGCJGDOIYWHO-AWEZNQCLSA-N 0 0 347.419 0.887 10 0 ECAERN COC(=O)c1cn(CC(=O)N2CCOC[C@@H]2CO)c2ccccc12 ZINC000912426658 609958358 /nfs/dbraw/zinc/95/83/58/609958358.db2.gz DMWYNUFECDASRQ-LBPRGKRZSA-N 0 0 332.356 0.648 10 0 ECAERN Cc1nn(C)c(C)c1[C@@H]1OCC[C@H]1NC(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC000913084840 610036689 /nfs/dbraw/zinc/03/66/89/610036689.db2.gz LMMQKMFFRVGPAG-DSPGLSBSSA-N 0 0 336.436 0.702 10 0 ECAERN Cn1ccc(CC(=O)N2CCN(C[C@@H](O)c3ccccc3)CC2)n1 ZINC000183429602 610464696 /nfs/dbraw/zinc/46/46/96/610464696.db2.gz NBKYDWCSRWLJGD-QGZVFWFLSA-N 0 0 328.416 0.840 10 0 ECAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)NCCc3ccnn3C)CCO2)n1 ZINC000185021778 610977400 /nfs/dbraw/zinc/97/74/00/610977400.db2.gz DXKWAKQKKJADBA-INIZCTEOSA-N 0 0 346.435 0.887 10 0 ECAERN O=S1(=O)C[C@@H](O)[C@H](NCc2sccc2Br)C1 ZINC000082693866 612441923 /nfs/dbraw/zinc/44/19/23/612441923.db2.gz KGMJBAWASPHZQU-HTQZYQBOSA-N 0 0 326.237 0.758 10 0 ECAERN C[C@@H](NS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O)[C@H](C)O ZINC000344893760 734236114 /nfs/dbraw/zinc/23/61/14/734236114.db2.gz CPBPBFDLBOGUFC-MNOVXSKESA-N 0 0 340.401 0.361 10 0 ECAERN CN1CCO[C@H]2CN(C(=O)Nc3ccn(-c4ccccc4)n3)C[C@H]21 ZINC000329943707 741615247 /nfs/dbraw/zinc/61/52/47/741615247.db2.gz DSVHGYPKADNLHI-CABCVRRESA-N 0 0 327.388 1.419 10 0 ECAERN CN1CCO[C@H]2CCN(C(=O)NCc3nc(C(F)(F)F)n[nH]3)C[C@H]21 ZINC000332779204 742433397 /nfs/dbraw/zinc/43/33/97/742433397.db2.gz CZYGJHCQFCRDEL-BDAKNGLRSA-N 0 0 348.329 0.438 10 0 ECAERN CCn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)N[C@H]2CCO[C@@H]2C)cn1 ZINC000332987414 742447455 /nfs/dbraw/zinc/44/74/55/742447455.db2.gz XEZOFCRPYCLIRJ-ZRQNBYAXSA-N 0 0 335.408 0.699 10 0 ECAERN COC[C@@H]1CN([C@H]2CCN(C3CCOCC3)C2=O)CC(C)(C)O1 ZINC000328940144 752567397 /nfs/dbraw/zinc/56/73/97/752567397.db2.gz HLYDFRDVDBDUHW-GJZGRUSLSA-N 0 0 326.437 0.892 10 0 ECAERN C[C@H]1CN(C(=O)c2ccc(CNC(N)=O)cc2)C[C@@H]1N1CCOCC1 ZINC000173812256 231041553 /nfs/dbraw/zinc/04/15/53/231041553.db2.gz BFJQJNRZCLYAQE-BBRMVZONSA-N 0 0 346.431 0.648 10 0 ECAERN Cc1cc(N2CCC[C@@H](NC(=O)NCc3ccnn3C)C2=O)n(C)n1 ZINC000174935806 231349244 /nfs/dbraw/zinc/34/92/44/231349244.db2.gz ZVEZEBSECJSJPF-CYBMUJFWSA-N 0 0 345.407 0.457 10 0 ECAERN Cc1cc(N2CCC[C@H](NC(=O)COCC(F)(F)F)C2=O)n(C)n1 ZINC000174996949 231363057 /nfs/dbraw/zinc/36/30/57/231363057.db2.gz SHZYYAPCMNMBMQ-JTQLQIEISA-N 0 0 348.325 0.919 10 0 ECAERN CCc1nnc(CN2CCN(C[C@@H](O)COc3ccccc3)CC2)[nH]1 ZINC000181693122 529736695 /nfs/dbraw/zinc/73/66/95/529736695.db2.gz GHWPEMXZNRATHJ-OAHLLOKOSA-N 0 0 345.447 0.925 10 0 ECAERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1ccc2c(c1)CN(C)C2 ZINC000166706032 529901698 /nfs/dbraw/zinc/90/16/98/529901698.db2.gz UIKPRARRSKUUEZ-AWEZNQCLSA-N 0 0 330.388 0.308 10 0 ECAERN O=C(Cn1nc2ccccn2c1=O)N1CCC[C@H](Cn2cncn2)C1 ZINC000126833943 222757628 /nfs/dbraw/zinc/75/76/28/222757628.db2.gz MOFDLTWYLHIZBF-ZDUSSCGKSA-N 0 0 341.375 0.026 10 0 ECAERN CN(CC(=O)NC1CC1)C(=O)[C@@H](Cc1ccccc1)n1cnnn1 ZINC000102843883 219235176 /nfs/dbraw/zinc/23/51/76/219235176.db2.gz OSGIPJPOKSOGSH-CQSZACIVSA-N 0 0 328.376 0.194 10 0 ECAERN Cc1ccc(S(=O)(=O)CCCN2CCOC[C@H]2C(N)=O)cc1 ZINC000181210620 234119451 /nfs/dbraw/zinc/11/94/51/234119451.db2.gz ALUBSJZOMFQHMP-AWEZNQCLSA-N 0 0 326.418 0.345 10 0 ECAERN O=C(Nc1nc2ccccn2n1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000184356199 235376048 /nfs/dbraw/zinc/37/60/48/235376048.db2.gz IOPODFCWDKYDSU-GFCCVEGCSA-N 0 0 327.348 0.859 10 0 ECAERN COCC(=O)NC1CN(C(=O)CCc2nc(C3CCCC3)no2)C1 ZINC000185255282 235626098 /nfs/dbraw/zinc/62/60/98/235626098.db2.gz ZGJKUJNNBFABKP-UHFFFAOYSA-N 0 0 336.392 0.633 10 0 ECAERN NC(=O)[C@H]1CCCN1S(=O)(=O)c1cc(Br)ccc1N ZINC000037929254 213174051 /nfs/dbraw/zinc/17/40/51/213174051.db2.gz YIECMQHVRRVUAX-SECBINFHSA-N 0 0 348.222 0.670 10 0 ECAERN NC(=O)[C@@H]1C[C@H](O)CN1C(=O)c1ccc(F)cc1Br ZINC000037846173 213170638 /nfs/dbraw/zinc/17/06/38/213170638.db2.gz DRBOXMIQPZQSHO-XVKPBYJWSA-N 0 0 331.141 0.649 10 0 ECAERN Cc1cc(C)n(C[C@H]2CN(Cc3nc(N)nc(N(C)C)n3)CCO2)n1 ZINC000106201436 219621206 /nfs/dbraw/zinc/62/12/06/219621206.db2.gz MREZDWNFMYMHLQ-CYBMUJFWSA-N 0 0 346.439 0.234 10 0 ECAERN Cc1cccc2c1N(C(=O)C(=O)N1CC(NC(=O)C3CC3)C1)CC2 ZINC000187976683 236366122 /nfs/dbraw/zinc/36/61/22/236366122.db2.gz AJAXAAGCCSCPDE-UHFFFAOYSA-N 0 0 327.384 0.621 10 0 ECAERN O=C(NC1CN(C(=O)C(=O)N2CCc3c2cccc3F)C1)C1CCC1 ZINC000188017288 236386091 /nfs/dbraw/zinc/38/60/91/236386091.db2.gz RKDSLEAHXBPDBQ-UHFFFAOYSA-N 0 0 345.374 0.842 10 0 ECAERN COc1ccc(Br)cc1CN(C)C(=O)[C@H](N)CC(N)=O ZINC000037798786 213167869 /nfs/dbraw/zinc/16/78/69/213167869.db2.gz KDMJUKIHWPDBTG-SNVBAGLBSA-N 0 0 344.209 0.619 10 0 ECAERN CCn1cc(NC(=O)C(=O)N2CCC(Cn3cccn3)CC2)cn1 ZINC000129992421 223110448 /nfs/dbraw/zinc/11/04/48/223110448.db2.gz XYPNVKWRLCUHEM-UHFFFAOYSA-N 0 0 330.392 0.977 10 0 ECAERN Cn1cnc(CNC(=O)N2CCN(C[C@H](O)c3ccccc3)CC2)n1 ZINC000130393144 223149120 /nfs/dbraw/zinc/14/91/20/223149120.db2.gz AWLDSTZKYDSETM-HNNXBMFYSA-N 0 0 344.419 0.376 10 0 ECAERN Cc1nn(C)c(C)c1CNC(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000074849933 216526784 /nfs/dbraw/zinc/52/67/84/216526784.db2.gz UKUSBJOWWIOCHE-UHFFFAOYSA-N 0 0 328.438 0.325 10 0 ECAERN CNc1cc(N2CCC[C@H]2CNC(=O)c2c[nH]c(=S)[nH]2)ncn1 ZINC000193098367 240017466 /nfs/dbraw/zinc/01/74/66/240017466.db2.gz DSEBMMOWFFGQLZ-VIFPVBQESA-N 0 0 333.421 0.929 10 0 ECAERN CCCCOC[C@@H](O)Cn1nc(C(=O)NC)c2ccccc2c1=O ZINC000193369048 240136744 /nfs/dbraw/zinc/13/67/44/240136744.db2.gz YBMRUODFUHUSBY-LBPRGKRZSA-N 0 0 333.388 0.934 10 0 ECAERN NC(=O)[C@@H]1COCCN1S(=O)(=O)c1c(F)c(F)cc(F)c1F ZINC000193816497 240322879 /nfs/dbraw/zinc/32/28/79/240322879.db2.gz CEXJMXGJERIBHE-ZETCQYMHSA-N 0 0 342.270 0.118 10 0 ECAERN O=C(CN1CCOC1=O)N1CCCn2nc([C@@H](O)C3CCC3)cc2C1 ZINC000222463296 241519098 /nfs/dbraw/zinc/51/90/98/241519098.db2.gz JSIYKRYKOUFKAP-INIZCTEOSA-N 0 0 348.403 0.901 10 0 ECAERN CN1CCO[C@H](CNC(=O)N[C@H]2CCN(c3ccccc3)C2=O)C1 ZINC000245811135 243157402 /nfs/dbraw/zinc/15/74/02/243157402.db2.gz OPDTXRKBIRIVCK-CABCVRRESA-N 0 0 332.404 0.422 10 0 ECAERN Cc1ccc(S(=O)(=O)N2COC(=O)[C@@H]2CC[S@@](C)=O)cc1 ZINC000255988585 244059565 /nfs/dbraw/zinc/05/95/65/244059565.db2.gz MTIYMKQSBSRJBO-FKIZINRSSA-N 0 0 331.415 0.637 10 0 ECAERN Cc1ccc(S(=O)(=O)N2COC(=O)[C@H]2CC[S@@](C)=O)cc1 ZINC000255988586 244059872 /nfs/dbraw/zinc/05/98/72/244059872.db2.gz MTIYMKQSBSRJBO-MPBGBICISA-N 0 0 331.415 0.637 10 0 ECAERN CC(=O)NCCNC(=O)[C@H]1CCC(=O)N(CCc2cccc(F)c2)C1 ZINC000020117798 212103379 /nfs/dbraw/zinc/10/33/79/212103379.db2.gz KSFMBLBUXMLVJZ-HNNXBMFYSA-N 0 0 349.406 0.859 10 0 ECAERN Cn1c(CN2CCO[C@@H](C[N@H+](C)CC(=O)[O-])C2)nc2ccccc21 ZINC000262821846 245197689 /nfs/dbraw/zinc/19/76/89/245197689.db2.gz GVZWYBAWOKNIBD-ZDUSSCGKSA-N 0 0 332.404 0.791 10 0 ECAERN C[C@H](NC(=O)c1cccs1)C(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111087407 220098441 /nfs/dbraw/zinc/09/84/41/220098441.db2.gz KQRDLZJHRVHTIL-QWHCGFSZSA-N 0 0 348.428 0.991 10 0 ECAERN Cc1cnn(C[C@H]2CN(CC(=O)NCc3cccnc3)CCO2)c1 ZINC000111229334 220116783 /nfs/dbraw/zinc/11/67/83/220116783.db2.gz AAZNIATWACAACX-MRXNPFEDSA-N 0 0 329.404 0.604 10 0 ECAERN CN1CCO[C@H](CNC(=O)c2cc(C(N)=O)n(-c3ccccc3)n2)C1 ZINC000111587827 220168235 /nfs/dbraw/zinc/16/82/35/220168235.db2.gz SONTXBMOGKTNJO-CYBMUJFWSA-N 0 0 343.387 0.032 10 0 ECAERN O=C(CNC(=O)c1cccs1)N1CCO[C@H](Cn2cccn2)C1 ZINC000111649738 220174704 /nfs/dbraw/zinc/17/47/04/220174704.db2.gz GHIVDYNJHFZTTA-LBPRGKRZSA-N 0 0 334.401 0.602 10 0 ECAERN Cc1cnn(C[C@H]2CN(C(=O)C(=O)Nc3cnccc3C)CCO2)c1 ZINC000112147722 220252593 /nfs/dbraw/zinc/25/25/93/220252593.db2.gz PZOVZKGLVSYXQF-CQSZACIVSA-N 0 0 343.387 0.761 10 0 ECAERN COc1cc2c(c3oc(=O)c4c(c13)CCOC4=O)[C@@]1(O)C=CO[C@H]1O2 ZINC000013308685 211543169 /nfs/dbraw/zinc/54/31/69/211543169.db2.gz QSHBSBLCKIPCKO-IRXDYDNUSA-N 0 0 344.275 0.965 10 0 endogenous,in-man ECAERN CCc1nc(-c2ccc(C(=O)N3CCOC[C@H]3C(N)=O)cc2)n[nH]1 ZINC000091809995 218069804 /nfs/dbraw/zinc/06/98/04/218069804.db2.gz WANJPRJXENKQBI-LBPRGKRZSA-N 0 0 329.360 0.360 10 0 ECAERN Cc1cc(C)n(-c2ccc(C(=O)N3CCOC[C@@H]3C(N)=O)cc2)n1 ZINC000091780938 218065191 /nfs/dbraw/zinc/06/51/91/218065191.db2.gz QVSQLXHFJXYBSD-OAHLLOKOSA-N 0 0 328.372 0.815 10 0 ECAERN NC(=O)[C@@H]1COCCN1C(=O)COc1cccc(Br)c1 ZINC000091785854 218065837 /nfs/dbraw/zinc/06/58/37/218065837.db2.gz CKXWDINGYQLZIT-NSHDSACASA-N 0 0 343.177 0.541 10 0 ECAERN NC(=O)[C@@H]1COCCN1C(=O)CCc1ncc(-c2ccccc2)o1 ZINC000091784009 218066078 /nfs/dbraw/zinc/06/60/78/218066078.db2.gz DUVUOOPGFBOJDE-ZDUSSCGKSA-N 0 0 329.356 0.987 10 0 ECAERN CN(C)c1ccc(C[NH+]2CCC3(CC2)NC(=O)C[C@H]3C(=O)[O-])cn1 ZINC000095355987 218289749 /nfs/dbraw/zinc/28/97/49/218289749.db2.gz UMCUUSPUESEKOO-ZDUSSCGKSA-N 0 0 332.404 0.703 10 0 ECAERN CC(=O)NCC(=O)N1CCC2(CC1)NC(=O)C[C@H]2c1cccnc1 ZINC000096100608 218593330 /nfs/dbraw/zinc/59/33/30/218593330.db2.gz LTTLHJNWGNGOQA-AWEZNQCLSA-N 0 0 330.388 0.182 10 0 ECAERN CNC(=O)[C@H](NC(=O)N[C@@H]1CCN(c2ccccc2)C1=O)C(C)C ZINC000178456514 207688018 /nfs/dbraw/zinc/68/80/18/207688018.db2.gz XVYUBQNYFMRNCC-ZIAGYGMSSA-N 0 0 332.404 0.862 10 0 ECAERN CC[C@H](CS(=O)(=O)NC1CC([N@@H+](CC(=O)[O-])CC2CC2)C1)OC ZINC000263128658 207791738 /nfs/dbraw/zinc/79/17/38/207791738.db2.gz MTROQNYLOZLBFJ-JXQTWKCFSA-N 0 0 348.465 0.658 10 0 ECAERN CNc1cc(N2CCC[C@H]2CNC(=O)N(C)CC[C@@H](C)O)ncn1 ZINC000153400379 533050407 /nfs/dbraw/zinc/05/04/07/533050407.db2.gz OBYHSXFCGPMCJR-OLZOCXBDSA-N 0 0 336.440 0.899 10 0 ECAERN COc1c(C(=O)N2CCCN(Cc3noc(C)n3)CC2)c(C)nn1C ZINC000112297485 220292050 /nfs/dbraw/zinc/29/20/50/220292050.db2.gz YMNJFDMBTRSFGL-UHFFFAOYSA-N 0 0 348.407 0.777 10 0 ECAERN C[C@@H](NC(=O)c1ccco1)C(=O)N(CC(N)=O)Cc1ccccc1 ZINC000112305912 220297383 /nfs/dbraw/zinc/29/73/83/220297383.db2.gz YKYHGZWIDVXIQG-GFCCVEGCSA-N 0 0 329.356 0.912 10 0 ECAERN COc1ccc([C@H](C)CC(=O)NC[C@@H](O)CN2CCOCC2)cc1 ZINC000133003809 533151920 /nfs/dbraw/zinc/15/19/20/533151920.db2.gz QSRXJXANLWTRCD-GDBMZVCRSA-N 0 0 336.432 0.998 10 0 ECAERN CCOCCN1CCN(S(=O)(=O)c2cnn(C)c2)C[C@H]1CC ZINC000116899164 221008093 /nfs/dbraw/zinc/00/80/93/221008093.db2.gz OHBIBQSSXMLWEE-CYBMUJFWSA-N 0 0 330.454 0.542 10 0 ECAERN O=C(NCCn1ccnc1)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000117021811 221022559 /nfs/dbraw/zinc/02/25/59/221022559.db2.gz ZPUWMTSYIRHNQB-KRWDZBQOSA-N 0 0 343.431 0.944 10 0 ECAERN COCCN1CCN(C(=O)c2cnc3sccn3c2=O)C[C@H]1C ZINC000117295816 221046729 /nfs/dbraw/zinc/04/67/29/221046729.db2.gz HHAZYHDLNCXPIU-LLVKDONJSA-N 0 0 336.417 0.549 10 0 ECAERN CC[C@H]1CN(C(=O)[C@@H](C)NC(=O)c2ccco2)CCN1CCOC ZINC000117299866 221049829 /nfs/dbraw/zinc/04/98/29/221049829.db2.gz VZMPVARUUPIWIO-KGLIPLIRSA-N 0 0 337.420 0.967 10 0 ECAERN Cc1cnn(CCNC(=O)C(=O)Nc2cc(C(N)=O)ccc2C)c1 ZINC000118132951 221128584 /nfs/dbraw/zinc/12/85/84/221128584.db2.gz XFVFAPAOEAJRIW-UHFFFAOYSA-N 0 0 329.360 0.354 10 0 ECAERN CC(=O)Nc1ccc(NC(=O)C(=O)NCCn2cc(C)cn2)cc1 ZINC000118133537 221128662 /nfs/dbraw/zinc/12/86/62/221128662.db2.gz NGFILUAOYDDDDG-UHFFFAOYSA-N 0 0 329.360 0.905 10 0 ECAERN CN1CCO[C@@H](CNC(=O)NC[C@](C)(O)c2ccc(F)cc2)C1 ZINC000118979335 221215691 /nfs/dbraw/zinc/21/56/91/221215691.db2.gz JBZJEMHPRACGHN-HOCLYGCPSA-N 0 0 325.384 0.663 10 0 ECAERN CCCCOC(=O)[C@@H](C)N1CCN(c2ccc3nncn3n2)CC1 ZINC000119129917 221250282 /nfs/dbraw/zinc/25/02/82/221250282.db2.gz SMYOFYVUNNNBMH-CYBMUJFWSA-N 0 0 332.408 0.978 10 0 ECAERN CC(C)[C@H](C)NS(=O)(=O)CCNS(=O)(=O)c1ccccc1 ZINC000119537363 221342441 /nfs/dbraw/zinc/34/24/41/221342441.db2.gz JKWSZPDNYFIWOJ-LBPRGKRZSA-N 0 0 334.463 0.929 10 0 ECAERN Cn1nccc1C(=O)NC[C@@H]1CO[C@H]2CN(c3ncc(F)cn3)C[C@@H]12 ZINC000248071735 257666620 /nfs/dbraw/zinc/66/66/20/257666620.db2.gz XPBVLWPHPATUSQ-OSMZGAPFSA-N 0 0 346.366 0.230 10 0 ECAERN CC(=O)N1C[C@H]2[C@@H](C1)C(=O)N(C)C21CCN(C(=O)CC(C)C)CC1 ZINC000248057110 257667160 /nfs/dbraw/zinc/66/71/60/257667160.db2.gz SNXQUDKHPIRNLB-CABCVRRESA-N 0 0 335.448 0.960 10 0 ECAERN CS(=O)(=O)NC[C@@]12COC[C@@H]1CN(C(=O)CC1CCCC1)C2 ZINC000247534578 257680936 /nfs/dbraw/zinc/68/09/36/257680936.db2.gz PXZHXDZNIINCKF-DZGCQCFKSA-N 0 0 330.450 0.591 10 0 ECAERN CS(=O)(=O)N1CC[C@@H]2O[C@@H](C(=O)NCC3CCOCC3)CC[C@@H]21 ZINC000247502352 257681950 /nfs/dbraw/zinc/68/19/50/257681950.db2.gz FVZYTRHMHRZAPU-MELADBBJSA-N 0 0 346.449 0.111 10 0 ECAERN CN(C)c1ncccc1O[C@@H]1CCN(C(=O)Cn2ccccc2=O)C1 ZINC000328631485 258028142 /nfs/dbraw/zinc/02/81/42/258028142.db2.gz RAHXLNPHPAAOAV-CQSZACIVSA-N 0 0 342.399 0.989 10 0 ECAERN COc1cccc(C(=O)NCC(=O)N2CCC[C@H](n3cncn3)C2)c1 ZINC000171627157 533406459 /nfs/dbraw/zinc/40/64/59/533406459.db2.gz SOCUZBZKEPRCNS-AWEZNQCLSA-N 0 0 343.387 0.880 10 0 ECAERN CC(C)n1c(CC2CC2)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC000333205866 297118267 /nfs/dbraw/zinc/11/82/67/297118267.db2.gz IWVOYCPUHVHEPH-UHFFFAOYSA-N 0 0 327.454 0.893 10 0 ECAERN CCn1c(C)nnc1CN1CCN(c2cc(C)nc3ncnn32)CC1 ZINC000154839849 296699168 /nfs/dbraw/zinc/69/91/68/296699168.db2.gz KYNBJNSTHNUCKI-UHFFFAOYSA-N 0 0 341.423 0.675 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)[C@@H](C)Oc2cccc(CO)c2)CC1 ZINC000163008088 296717660 /nfs/dbraw/zinc/71/76/60/296717660.db2.gz ULPQPBZXRRPWKU-GDBMZVCRSA-N 0 0 336.432 0.861 10 0 ECAERN CNC(=O)[C@H](NC(=O)N[C@H](C)C(=O)N1CCCC[C@H]1C)C(C)C ZINC000246150538 296731029 /nfs/dbraw/zinc/73/10/29/296731029.db2.gz DRQRCSZIFZXIHS-JHJVBQTASA-N 0 0 326.441 0.846 10 0 ECAERN Cn1cc(S(=O)(=O)N2CCO[C@@H]3CCCC[C@@H]32)cc1C(N)=O ZINC000047266426 164549689 /nfs/dbraw/zinc/54/96/89/164549689.db2.gz WTBHXTPDUPRXAN-WCQYABFASA-N 0 0 327.406 0.456 10 0 ECAERN CCc1nnc(CS(=O)(=O)CC(=O)NCCC(C)(C)C)n1C ZINC000091049369 164640923 /nfs/dbraw/zinc/64/09/23/164640923.db2.gz YAPPTBVVXRVNHP-UHFFFAOYSA-N 0 0 330.454 0.845 10 0 ECAERN COc1ccccc1C(=O)NCC(=O)N[C@H]1CCc2ncnn2C1 ZINC000154907894 164769734 /nfs/dbraw/zinc/76/97/34/164769734.db2.gz KVDVJFJJEZDVNQ-NSHDSACASA-N 0 0 329.360 0.148 10 0 ECAERN CNC(=O)[C@H](NC(=O)[C@@H]1CCCN(C(=O)NCC(C)C)C1)C(C)C ZINC000178703341 164918817 /nfs/dbraw/zinc/91/88/17/164918817.db2.gz APOUNYLYCTVWJZ-ZIAGYGMSSA-N 0 0 340.468 0.951 10 0 ECAERN CNC(=O)[C@H](NC(=O)CCn1cnc2ccccc2c1=O)C(C)C ZINC000178684941 164918863 /nfs/dbraw/zinc/91/88/63/164918863.db2.gz YNGLNBAAOHEPHB-OAHLLOKOSA-N 0 0 330.388 0.673 10 0 ECAERN CC1([C@@H]2CCCN(C(=O)N[C@@H]3CCc4ncnn4C3)C2)OCCO1 ZINC000181799983 164947427 /nfs/dbraw/zinc/94/74/27/164947427.db2.gz QDBQLUNDZDMEST-CHWSQXEVSA-N 0 0 335.408 0.778 10 0 ECAERN NC(=O)[C@@H]1COCCN1c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000182031250 164948464 /nfs/dbraw/zinc/94/84/64/164948464.db2.gz DQEOQKTVYBFQJP-JTQLQIEISA-N 0 0 338.307 0.671 10 0 ECAERN Cc1nnc([C@@H]2CN(C(=O)c3cc(OC(F)F)n(C)n3)CCO2)[nH]1 ZINC000185709030 164976678 /nfs/dbraw/zinc/97/66/78/164976678.db2.gz YBMKXEHCQFSXPF-VIFPVBQESA-N 0 0 342.306 0.662 10 0 ECAERN C[C@@H]1C(=O)NCCCN1C(=O)Cn1nc(-c2ccccc2)ccc1=O ZINC000188905431 165003391 /nfs/dbraw/zinc/00/33/91/165003391.db2.gz GTRROTKLSNTZIA-CYBMUJFWSA-N 0 0 340.383 0.647 10 0 ECAERN CC(C)(C)[S@](=O)CCNC(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188857378 165003442 /nfs/dbraw/zinc/00/34/42/165003442.db2.gz FTBWVFIDZJGYHK-JOCHJYFZSA-N 0 0 329.466 0.844 10 0 ECAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1cnn(-c2ccccc2F)c1 ZINC000189260481 165007097 /nfs/dbraw/zinc/00/70/97/165007097.db2.gz FTMPOFHRDPRDCC-IUODEOHRSA-N 0 0 332.335 0.932 10 0 ECAERN CC(=O)NC1CN(C(=O)N[C@@H]2CCN(c3ncccc3Cl)C2)C1 ZINC000190247529 165019503 /nfs/dbraw/zinc/01/95/03/165019503.db2.gz RIECQXKIXGKVSC-LLVKDONJSA-N 0 0 337.811 0.844 10 0 ECAERN CCCc1cnc(NC(=O)C(=O)N2CC(NC(=O)C3CC3)C2)s1 ZINC000190853021 165027262 /nfs/dbraw/zinc/02/72/62/165027262.db2.gz MXTGSMOAAUSLKI-UHFFFAOYSA-N 0 0 336.417 0.771 10 0 ECAERN Cc1ccc(C(=O)NCCNC(=O)N2CCCNC(=O)[C@@H]2C)cc1 ZINC000191383715 165031528 /nfs/dbraw/zinc/03/15/28/165031528.db2.gz RIXLISPNYVUICY-ZDUSSCGKSA-N 0 0 332.404 0.645 10 0 ECAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CCN(Cc2cccc(F)c2)CC1 ZINC000193577525 165055233 /nfs/dbraw/zinc/05/52/33/165055233.db2.gz WKGDNDRVMZRECD-IAGOWNOFSA-N 0 0 349.406 0.452 10 0 ECAERN CN1CCO[C@H](CNC(=O)C2=NN(c3ccccc3)C(=O)CC2)C1 ZINC000194614940 165068327 /nfs/dbraw/zinc/06/83/27/165068327.db2.gz FKDLWJJKFAFUTI-CQSZACIVSA-N 0 0 330.388 0.616 10 0 ECAERN Cc1nc(CN2CCCN(C(=O)Cn3ccc(C)cc3=O)CC2)no1 ZINC000194668827 165069297 /nfs/dbraw/zinc/06/92/97/165069297.db2.gz HBDIJESDEKRGOZ-UHFFFAOYSA-N 0 0 345.403 0.583 10 0 ECAERN Cc1nc2ncnn2c(C)c1CCC(=O)NC[C@@H]1CN(C)CCO1 ZINC000194750228 165072316 /nfs/dbraw/zinc/07/23/16/165072316.db2.gz JKHCFYDHBGOQOH-CYBMUJFWSA-N 0 0 332.408 0.121 10 0 ECAERN CN(C(=O)[C@H]1CNC(=O)C1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000195400160 165081983 /nfs/dbraw/zinc/08/19/83/165081983.db2.gz HEXNTKIKDBTDES-CQSZACIVSA-N 0 0 330.432 0.683 10 0 ECAERN O[C@H](CN1CCOCC1)CN1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000195512927 165084011 /nfs/dbraw/zinc/08/40/11/165084011.db2.gz MTPWGZGAINDOHH-HZPDHXFCSA-N 0 0 349.479 0.835 10 0 ECAERN COc1nc(N[C@@H]2CCC(=O)N(C)C2=O)ncc1Br ZINC000234992373 165092048 /nfs/dbraw/zinc/09/20/48/165092048.db2.gz KNKBLDMCKKDNOL-SSDOTTSWSA-N 0 0 329.154 0.807 10 0 ECAERN Cn1c2ncn(CCN3CCO[C@H]4CCCC[C@H]43)c2c(=O)n(C)c1=O ZINC000245564889 165109749 /nfs/dbraw/zinc/10/97/49/165109749.db2.gz ONDFRUOVXCEYFE-OLZOCXBDSA-N 0 0 347.419 0.077 10 0 ECAERN C[C@@H](NC(=O)CN1CCOC[C@H]1C(N)=O)c1ccccc1Cl ZINC000246454482 165135472 /nfs/dbraw/zinc/13/54/72/165135472.db2.gz NVXORYSGSHALRC-MFKMUULPSA-N 0 0 325.796 0.703 10 0 ECAERN Cc1cnn(C[C@H]2CN([C@H](C)c3nc(N)nc(N(C)C)n3)CCO2)c1 ZINC000246961608 165147047 /nfs/dbraw/zinc/14/70/47/165147047.db2.gz BRQMABRLVIFXGS-CHWSQXEVSA-N 0 0 346.439 0.487 10 0 ECAERN CC[C@H]1CN(C(=O)[C@H](C)NC(=O)c2ccoc2)CCN1CCOC ZINC000246935125 165148177 /nfs/dbraw/zinc/14/81/77/165148177.db2.gz BYODUECLSDLFLR-ZFWWWQNUSA-N 0 0 337.420 0.967 10 0 ECAERN CCOCCN1CCN(CC(=O)N2C[C@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC000247126296 165153059 /nfs/dbraw/zinc/15/30/59/165153059.db2.gz JYYPPVVWBNZOGS-JYJNAYRXSA-N 0 0 327.469 0.665 10 0 ECAERN CN([C@H]1CCCN(c2cccnn2)C1)S(=O)(=O)C[C@H]1CCCO1 ZINC000247174623 165155830 /nfs/dbraw/zinc/15/58/30/165155830.db2.gz RPBTZCJQIROABO-UONOGXRCSA-N 0 0 340.449 0.886 10 0 ECAERN Cc1cc(NC(=O)C(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)ccc1C(N)=O ZINC000249187697 165195667 /nfs/dbraw/zinc/19/56/67/165195667.db2.gz ONAIATNWYLVLKT-OCCSQVGLSA-N 0 0 344.415 0.728 10 0 ECAERN COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)Cc1nc2ncccn2n1 ZINC000249504551 165198749 /nfs/dbraw/zinc/19/87/49/165198749.db2.gz FZGYNHJNJZASHC-XQQFMLRXSA-N 0 0 343.387 1.000 10 0 ECAERN CN[C@H](C(=O)N1CCS(=O)(=O)[C@@H]2CCCC[C@H]21)c1cnn(C)c1 ZINC000262273989 165320426 /nfs/dbraw/zinc/32/04/26/165320426.db2.gz WEKHZDSLNLZCHM-MCIONIFRSA-N 0 0 340.449 0.249 10 0 ECAERN CCCCN(C(=O)C[NH2+][C@@H](CCC)C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000262276895 165320573 /nfs/dbraw/zinc/32/05/73/165320573.db2.gz JWHPPLPZBIDKOV-OLZOCXBDSA-N 0 0 348.465 0.645 10 0 ECAERN CN[C@@H](C(=O)Nc1ccc(N2CCOCC2)nc1)c1cnn(C)c1 ZINC000262310214 165327584 /nfs/dbraw/zinc/32/75/84/165327584.db2.gz CTZSOWBEKVOXDR-OAHLLOKOSA-N 0 0 330.392 0.551 10 0 ECAERN CC(C)CNC(=O)NC(=O)[C@@H](C)N1CCC([N@H+](C)CC(=O)[O-])CC1 ZINC000262442402 165349702 /nfs/dbraw/zinc/34/97/02/165349702.db2.gz BIGWUBHATUKHIR-GFCCVEGCSA-N 0 0 342.440 0.338 10 0 ECAERN CCN1C[C@H](C(=O)NC2CC([N@@H+](CC(=O)[O-])CC3CC3)C2)CC1=O ZINC000262720616 165377955 /nfs/dbraw/zinc/37/79/55/165377955.db2.gz PMATWURVDMIMEP-IYXRBSQSSA-N 0 0 337.420 0.299 10 0 ECAERN NC(=O)c1ccc(C(=O)NC2CC([N@@H+](CC(=O)[O-])CC3CC3)C2)cc1 ZINC000262750701 165381815 /nfs/dbraw/zinc/38/18/15/165381815.db2.gz YBUVUEJNASPBRE-UHFFFAOYSA-N 0 0 345.399 0.843 10 0 ECAERN CCCC[C@H](NC(N)=O)C(=O)NC1CC([N@H+](CC)CC(=O)[O-])C1 ZINC000262780451 165386893 /nfs/dbraw/zinc/38/68/93/165386893.db2.gz IYVKFBLZGIYPLN-MCIGGMRASA-N 0 0 328.413 0.267 10 0 ECAERN C[N@@H+](CC(=O)[O-])C[C@H]1CN(C(=O)CCn2cc(Cl)cn2)CCO1 ZINC000262870283 165396266 /nfs/dbraw/zinc/39/62/66/165396266.db2.gz CRTPQSNOHHJEDC-LBPRGKRZSA-N 0 0 344.799 0.170 10 0 ECAERN O=C(CN1C(=O)NC2(CCCCC2)C1=O)N1C[C@@H](F)C[C@H]1CO ZINC000372492110 165596305 /nfs/dbraw/zinc/59/63/05/165596305.db2.gz DAMYREQZUYHICA-QWRGUYRKSA-N 0 0 327.356 0.172 10 0 ECAERN Cn1cccc(NC(=O)C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)c1=O ZINC000122925369 222184417 /nfs/dbraw/zinc/18/44/17/222184417.db2.gz FSUFRWBCJSCJON-SJCJKPOMSA-N 0 0 333.388 0.477 10 0 ECAERN COCCN1CCN(C(=O)CCCNC(=O)c2cccnc2)C[C@@H]1C ZINC000123773299 222330533 /nfs/dbraw/zinc/33/05/33/222330533.db2.gz ULOHKPXWKLJVNX-HNNXBMFYSA-N 0 0 348.447 0.771 10 0 ECAERN Cc1cnc(NC(=O)C(=O)N2CCO[C@@H](Cn3cccn3)C2)s1 ZINC000123948126 222356196 /nfs/dbraw/zinc/35/61/96/222356196.db2.gz WLOOJMSAIXRVAH-LLVKDONJSA-N 0 0 335.389 0.514 10 0 ECAERN Cn1c(CNC(=O)N[C@H]2CCc3ncnn3C2)nc2ccccc21 ZINC000171866282 227324505 /nfs/dbraw/zinc/32/45/05/227324505.db2.gz ZCDOMIQBEQHQKU-NSHDSACASA-N 0 0 325.376 0.979 10 0 ECAERN CS(=O)(=O)N1CCC[C@@H]1C(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000248031358 545942392 /nfs/dbraw/zinc/94/23/92/545942392.db2.gz QNMRLJGYLXHRCW-NFAWXSAZSA-N 0 0 330.450 0.564 10 0 ECAERN Cc1ccc([C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c2cnn(C)c2)o1 ZINC000087104796 263143650 /nfs/dbraw/zinc/14/36/50/263143650.db2.gz SOCGIEPICPIHBD-QWRGUYRKSA-N 0 0 340.405 0.866 10 0 ECAERN CC(C)(C)c1nc(CC(=O)NC[C@H](O)CN2CCOCC2)cs1 ZINC000128103505 263146500 /nfs/dbraw/zinc/14/65/00/263146500.db2.gz DKYIEWJWEQVGIR-ZDUSSCGKSA-N 0 0 341.477 0.792 10 0 ECAERN CCc1nnc([C@H]2CN(C(=O)NCCCn3ccnc3)CCO2)[nH]1 ZINC000151107153 263146857 /nfs/dbraw/zinc/14/68/57/263146857.db2.gz BOQZWWKSPJXSSD-GFCCVEGCSA-N 0 0 333.396 0.737 10 0 ECAERN CC(C)Cn1c(N)c(C(=O)CN2CCS[C@@H](C)C2)c(=O)[nH]c1=O ZINC000171695602 263147830 /nfs/dbraw/zinc/14/78/30/263147830.db2.gz JTDBPFLPDVOTIN-JTQLQIEISA-N 0 0 340.449 0.395 10 0 ECAERN C[C@@H](NS(=O)(=O)CCS(C)(=O)=O)c1ccc(F)c(F)c1 ZINC000172978573 263147951 /nfs/dbraw/zinc/14/79/51/263147951.db2.gz NJRPBLALWIXSQH-MRVPVSSYSA-N 0 0 327.374 0.990 10 0 ECAERN CCc1cc(C(=O)N[C@@H]2CCCn3nc(COC)nc32)cc(=O)[nH]1 ZINC000182210055 263156920 /nfs/dbraw/zinc/15/69/20/263156920.db2.gz FRINRDNCDJMGLS-GFCCVEGCSA-N 0 0 331.376 0.940 10 0 ECAERN CCc1cc(C(=O)N[C@H]2CCCn3nc(COC)nc32)cc(=O)[nH]1 ZINC000182210075 263157188 /nfs/dbraw/zinc/15/71/88/263157188.db2.gz FRINRDNCDJMGLS-LBPRGKRZSA-N 0 0 331.376 0.940 10 0 ECAERN CC(=O)NC1CN(C(=O)CCC(=O)N2CCC(c3ccccc3)=N2)C1 ZINC000190522310 263163947 /nfs/dbraw/zinc/16/39/47/263163947.db2.gz YHZNQYLLPXTDHE-UHFFFAOYSA-N 0 0 342.399 0.750 10 0 ECAERN CN1CCO[C@H](CNC(=O)CCc2nc(-c3ccncc3)no2)C1 ZINC000194748627 263169218 /nfs/dbraw/zinc/16/92/18/263169218.db2.gz LXESOHUVMLLMAY-CYBMUJFWSA-N 0 0 331.376 0.511 10 0 ECAERN CO[C@@H]1C[C@@H](CO)N(C(=O)c2cn(Cc3cccc(F)c3)nn2)C1 ZINC000284889345 264251640 /nfs/dbraw/zinc/25/16/40/264251640.db2.gz RPXOQLNDFYCIRV-UONOGXRCSA-N 0 0 334.351 0.687 10 0 ECAERN CNS(=O)(=O)c1ccc(C(=O)N2CCCC[C@H]2C(=O)OC)o1 ZINC000050608351 277037044 /nfs/dbraw/zinc/03/70/44/277037044.db2.gz YUJQHCFZIPOUIK-VIFPVBQESA-N 0 0 330.362 0.355 10 0 ECAERN Cc1cccc(-n2cc(C(=O)N3CC(NC(=O)C4CC4)C3)nn2)c1 ZINC000189413415 437599467 /nfs/dbraw/zinc/59/94/67/437599467.db2.gz SEVGMMOQYRRBML-UHFFFAOYSA-N 0 0 325.372 0.926 10 0 ECAERN CC(=O)NCCCNS(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C ZINC000074180587 278102182 /nfs/dbraw/zinc/10/21/82/278102182.db2.gz FBJQHKUXIINKNI-WFASDCNBSA-N 0 0 330.450 0.827 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)C(=O)Nc2cc(C)ccc2F)CC1 ZINC000189463886 437602187 /nfs/dbraw/zinc/60/21/87/437602187.db2.gz FAUWSTRBBYFTHW-CYBMUJFWSA-N 0 0 337.395 0.988 10 0 ECAERN CC(=O)NC1CN(C(=O)NCC(=O)N2CCCc3ccccc32)C1 ZINC000189954374 437614024 /nfs/dbraw/zinc/61/40/24/437614024.db2.gz LIHVBHFAOHLXFV-UHFFFAOYSA-N 0 0 330.388 0.496 10 0 ECAERN CNC(=O)CCN(C)C(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 ZINC000179315952 290393906 /nfs/dbraw/zinc/39/39/06/290393906.db2.gz BQLWTRWMJGGETR-CZUORRHYSA-N 0 0 335.379 0.940 10 0 ECAERN Cn1cc([C@@H]2CS(=O)(=O)CCN2C(=O)NCC(C)(C)C)cn1 ZINC000190092506 437616493 /nfs/dbraw/zinc/61/64/93/437616493.db2.gz HGLWMCHPIWXVDN-LBPRGKRZSA-N 0 0 328.438 0.947 10 0 ECAERN Cc1nc2c(o1)c1c(=O)n(C)c(=O)n(C)c1n(-c1ccccc1)c2=O ZINC000000088260 293419932 /nfs/dbraw/zinc/41/99/32/293419932.db2.gz DNEUOHUZTVMMKC-UHFFFAOYSA-N 0 0 338.323 0.838 10 0 ECAERN NC(=O)[C@H]1COCCN1C(=O)Cc1cc(F)ccc1Br ZINC000091779379 295158109 /nfs/dbraw/zinc/15/81/09/295158109.db2.gz JOEUTASXFMBOFX-LLVKDONJSA-N 0 0 345.168 0.843 10 0 ECAERN CN1CCN(CC(=O)Nc2ccc(NC3CCOCC3)cc2)CC1=O ZINC000333023091 297101937 /nfs/dbraw/zinc/10/19/37/297101937.db2.gz FSOKGPSHQJJRLQ-UHFFFAOYSA-N 0 0 346.431 0.990 10 0 ECAERN C[C@H](C(=O)N[C@@H]1CCN(C(=O)c2ccccn2)C1)N1CCOCC1 ZINC000333197665 297117505 /nfs/dbraw/zinc/11/75/05/297117505.db2.gz XWPMLJGGWZIBLU-ZIAGYGMSSA-N 0 0 332.404 0.133 10 0 ECAERN CN(C(=O)[C@@H]1CC(=O)C[C@@H]1C(=O)N(C)[C@H]1CCOC1)[C@H]1CCOC1 ZINC000333405463 297131236 /nfs/dbraw/zinc/13/12/36/297131236.db2.gz CGUAJYPQOFJROX-NZBPQXDJSA-N 0 0 338.404 0.076 10 0 ECAERN C[C@H](NC(=O)N1CCS(=O)(=O)C[C@H](C)C1)C(=O)N1CCCCC1 ZINC000333486918 297137603 /nfs/dbraw/zinc/13/76/03/297137603.db2.gz UAKZQVAPFVJPBD-OLZOCXBDSA-N 0 0 345.465 0.464 10 0 ECAERN O=C(CN1C[C@@H](F)C[C@H]1CO)N1CCN(Cc2ccccc2)CC1 ZINC000346385729 298271567 /nfs/dbraw/zinc/27/15/67/298271567.db2.gz XFNMDLWZCNJKEZ-IRXDYDNUSA-N 0 0 335.423 0.736 10 0 ECAERN Cn1cc([C@@H]2[C@@H](C(=O)N[C@@H]3CCCC[C@@H]3O)CCC(=O)N2C)cn1 ZINC000360992838 300050015 /nfs/dbraw/zinc/05/00/15/300050015.db2.gz OLIHPXYYHUTEFT-KNCOVGOOSA-N 0 0 334.420 0.749 10 0 ECAERN Cn1cnc2c1CCN(S(=O)(=O)c1ccc3c(c1)oc(=O)n3C)C2 ZINC000364126789 300328156 /nfs/dbraw/zinc/32/81/56/300328156.db2.gz LBBOZGRSSQUDMF-UHFFFAOYSA-N 0 0 348.384 0.612 10 0 ECAERN CCOC(=O)CSc1nnc(N)n1CC(=O)NCc1ccccc1 ZINC000001923512 435962515 /nfs/dbraw/zinc/96/25/15/435962515.db2.gz JCQUWLQXCXJQEM-UHFFFAOYSA-N 0 0 349.416 0.832 10 0 ECAERN CC(=O)N1CSC[C@H]1C(=O)N1CCO[C@@](C)(c2cnn(C)c2)C1 ZINC000370487362 300833904 /nfs/dbraw/zinc/83/39/04/300833904.db2.gz CKXWLZGLFOZIFX-DZGCQCFKSA-N 0 0 338.433 0.416 10 0 ECAERN COC(=O)[C@@H]1CCCCN1C[C@@H](O)CN1C(=O)c2ccccc2C1=O ZINC000025221699 436147706 /nfs/dbraw/zinc/14/77/06/436147706.db2.gz UDQPVMTWMFWRQO-DOMZBBRYSA-N 0 0 346.383 0.671 10 0 ECAERN CCCCN1CCOC[C@H]1C(=O)N1CCS(=O)(=O)C[C@@H](C)C1 ZINC000373896339 301086837 /nfs/dbraw/zinc/08/68/37/301086837.db2.gz ROBZSERTUZDZNN-KBPBESRZSA-N 0 0 332.466 0.380 10 0 ECAERN C[C@@H]1CN(C(=O)Cn2c3ccccc3[nH]c2=O)C[C@@H]1N1CCOCC1 ZINC000076052300 436188095 /nfs/dbraw/zinc/18/80/95/436188095.db2.gz SQNSNGGSKDFNDZ-CJNGLKHVSA-N 0 0 344.415 0.509 10 0 ECAERN Cn1cc(C(=O)[C@@H]2CC[C@]3(O)NC(=O)N[C@]3(O)C2)c2ccccc21 ZINC000039005676 436262894 /nfs/dbraw/zinc/26/28/94/436262894.db2.gz XXOJAQFCXGVTGZ-LWNYNHHKSA-N 0 0 329.356 0.851 10 0 ECAERN COC(=O)Cn1ncc2c1ncnc2NC[C@](C)(O)c1ccco1 ZINC000078376039 436267031 /nfs/dbraw/zinc/26/70/31/436267031.db2.gz TWYXTBQVYKRILS-HNNXBMFYSA-N 0 0 331.332 0.912 10 0 ECAERN CCCNC(=O)CN1CCC(NC(=O)N[C@H](C)[C@H]2CCCO2)CC1 ZINC000041171935 436270679 /nfs/dbraw/zinc/27/06/79/436270679.db2.gz YBLXUFPFBQCZMV-UKRRQHHQSA-N 0 0 340.468 0.844 10 0 ECAERN O=C1NC(=O)[C@]2(CCN(S(=O)(=O)c3ccc(Cl)cc3)C2)N1 ZINC000084796471 436386586 /nfs/dbraw/zinc/38/65/86/436386586.db2.gz RTOGDFBWCXMEAE-GFCCVEGCSA-N 0 0 329.765 0.313 10 0 ECAERN CC(C)(C)OC[C@@H](O)CN1CCN(CC(=O)N2CCCC2)CC1 ZINC000052806266 436518063 /nfs/dbraw/zinc/51/80/63/436518063.db2.gz CULZSNQIAVGIAC-HNNXBMFYSA-N 0 0 327.469 0.402 10 0 ECAERN NC(=O)[C@@H]1COCCN1CC(=O)Nc1ccnn1Cc1cccs1 ZINC000092230501 436468745 /nfs/dbraw/zinc/46/87/45/436468745.db2.gz LGWYHDRWYJVNPB-LBPRGKRZSA-N 0 0 349.416 0.118 10 0 ECAERN CN1CCO[C@H](CNC(=O)NCc2nncn2-c2ccccc2)C1 ZINC000104790030 436563460 /nfs/dbraw/zinc/56/34/60/436563460.db2.gz CTYRTELPEKHBOG-CQSZACIVSA-N 0 0 330.392 0.397 10 0 ECAERN CCOc1ccnc(N2CCN(CC(=O)NCC(F)(F)F)CC2)n1 ZINC000105868342 436582663 /nfs/dbraw/zinc/58/26/63/436582663.db2.gz WXKJVOLIWUZYTA-UHFFFAOYSA-N 0 0 347.341 0.676 10 0 ECAERN C[C@H](C(=O)NC[C@@H]1CCCO1)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000105917601 436586948 /nfs/dbraw/zinc/58/69/48/436586948.db2.gz LFPRUQIPDQQGRU-WBVHZDCISA-N 0 0 349.479 0.612 10 0 ECAERN Cc1cnn([C@H]2CCCN(CC(=O)NCC(=O)N3CCCC3)C2)c1 ZINC000105901024 436587571 /nfs/dbraw/zinc/58/75/71/436587571.db2.gz HJALFCWJZYBATB-HNNXBMFYSA-N 0 0 333.436 0.567 10 0 ECAERN CN(C)c1nc(N)nc(CN2CCC(N(C)c3cccnn3)CC2)n1 ZINC000106084266 436590453 /nfs/dbraw/zinc/59/04/53/436590453.db2.gz IYIXHVXOCYLEGP-UHFFFAOYSA-N 0 0 343.439 0.411 10 0 ECAERN Cc1ccc([C@@H](C)NC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)o1 ZINC000057465780 436612255 /nfs/dbraw/zinc/61/22/55/436612255.db2.gz YCFYBOGFXGBSRF-SNVBAGLBSA-N 0 0 345.359 0.213 10 0 ECAERN O=C(NCCc1ccc2c(c1)OCO2)N[C@@H]1CCc2ncnn2C1 ZINC000112741082 436633742 /nfs/dbraw/zinc/63/37/42/436633742.db2.gz AMNKXQZSDRBCLX-GFCCVEGCSA-N 0 0 329.360 0.864 10 0 ECAERN Cc1cc(C)n(C[C@H]2CN(C(=O)[C@@H]3CCCN(C(N)=O)C3)CCO2)n1 ZINC000110903565 436629644 /nfs/dbraw/zinc/62/96/44/436629644.db2.gz XAUOQBAWMUQNIE-HUUCEWRRSA-N 0 0 349.435 0.518 10 0 ECAERN C[C@H](CNC(=O)NCC1(C(=O)N(C)C)CCCC1)N1CCOCC1 ZINC000113374592 436637029 /nfs/dbraw/zinc/63/70/29/436637029.db2.gz YRRAWWUOJBYRPG-CQSZACIVSA-N 0 0 340.468 0.655 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1ccccc1OCC(N)=O)CC2 ZINC000114868770 436644875 /nfs/dbraw/zinc/64/48/75/436644875.db2.gz KIKVYPOICUJRIR-NSHDSACASA-N 0 0 343.387 0.449 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)N1CCN(CCOC)CC1)CC2 ZINC000114977934 436645851 /nfs/dbraw/zinc/64/58/51/436645851.db2.gz DKSGRYMAPLPCMP-CYBMUJFWSA-N 0 0 336.440 0.129 10 0 ECAERN CC(C)N(C)S(=O)(=O)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000115581069 436647697 /nfs/dbraw/zinc/64/76/97/436647697.db2.gz IFTDZQXIZQEZEF-UHFFFAOYSA-N 0 0 329.470 0.513 10 0 ECAERN NC(=O)CN1CN(c2ccc(F)cc2)c2ncccc2S1(=O)=O ZINC000065240190 436652005 /nfs/dbraw/zinc/65/20/05/436652005.db2.gz LEYGXMVNOXYIEU-UHFFFAOYSA-N 0 0 336.348 0.806 10 0 ECAERN CCC1(CC)NC(=O)N(CC(=O)N2CC[C@@H](c3cnn(C)c3)C2)C1=O ZINC000116121450 436649247 /nfs/dbraw/zinc/64/92/47/436649247.db2.gz RKNAQXWOBIIYSL-GFCCVEGCSA-N 0 0 347.419 0.847 10 0 ECAERN COCCn1ccc(NC(=O)N2CCO[C@@H](Cn3cccn3)C2)n1 ZINC000150816339 436690526 /nfs/dbraw/zinc/69/05/26/436690526.db2.gz MEHZCSRTUDDLNZ-CYBMUJFWSA-N 0 0 334.380 0.659 10 0 ECAERN CCO[C@H]1C[C@H](N(C)C(=O)Cn2ccc(=O)n(C)c2=O)C12CCCC2 ZINC000150792184 436691461 /nfs/dbraw/zinc/69/14/61/436691461.db2.gz CTHWHSFTBUWBEK-KBPBESRZSA-N 0 0 349.431 0.743 10 0 ECAERN Cc1nn(C)c(C)c1OCC(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000151012051 436693790 /nfs/dbraw/zinc/69/37/90/436693790.db2.gz NABVNYLEMUDHNF-IUODEOHRSA-N 0 0 336.436 0.595 10 0 ECAERN O=C(Nc1cnn(Cc2ccccc2)c1)C(=O)N1CCC[C@H]1CO ZINC000121030489 436706297 /nfs/dbraw/zinc/70/62/97/436706297.db2.gz MGDLOLRWWHSSML-HNNXBMFYSA-N 0 0 328.372 0.853 10 0 ECAERN Cc1noc([C@H]2COCCN2C(=O)CNC(=O)Cc2ccccc2)n1 ZINC000121103233 436708961 /nfs/dbraw/zinc/70/89/61/436708961.db2.gz GROVTESJPRFROX-CQSZACIVSA-N 0 0 344.371 0.637 10 0 ECAERN O=c1[nH]c2ccc(S(=O)(=O)NC[C@H]3CCCC[C@H]3O)cc2[nH]1 ZINC000121302697 436711242 /nfs/dbraw/zinc/71/12/42/436711242.db2.gz HHZWCKWZLNMKPF-NOZJJQNGSA-N 0 0 325.390 0.686 10 0 ECAERN CC(C)(C)OC(=O)N1CC[C@H](C(=O)N[C@@H]2CCc3ncnn3C2)C1 ZINC000151891605 436714490 /nfs/dbraw/zinc/71/44/90/436714490.db2.gz WYLWMNMABTYMAH-NWDGAFQWSA-N 0 0 335.408 0.966 10 0 ECAERN COc1ccnc(N2CCN(Cc3nnc(C4CC4)n3C)CC2)n1 ZINC000195103108 436679651 /nfs/dbraw/zinc/67/96/51/436679651.db2.gz SUVOEQNFLBTYTB-UHFFFAOYSA-N 0 0 329.408 0.813 10 0 ECAERN CO[C@@H](C)CS(=O)(=O)N1CCN([C@@H](C)c2nc(C)no2)CC1 ZINC000195240659 436684028 /nfs/dbraw/zinc/68/40/28/436684028.db2.gz CQJRXXCZIHESPK-QWRGUYRKSA-N 0 0 332.426 0.421 10 0 ECAERN C[C@H](Oc1cccc(F)c1)C(=O)NC[C@H](O)CN1CCOCC1 ZINC000128980745 436822511 /nfs/dbraw/zinc/82/25/11/436822511.db2.gz PXOWEKHHMLMLLZ-JSGCOSHPSA-N 0 0 326.368 0.402 10 0 ECAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)NC[C@@H]1CC[C@H](C(N)=O)O1 ZINC000154259165 436774189 /nfs/dbraw/zinc/77/41/89/436774189.db2.gz NRJIQMZYDPXVMG-MELADBBJSA-N 0 0 349.435 0.916 10 0 ECAERN C[C@H](NC(=O)N[C@H]1CCc2ncnn2C1)[C@@H](O)Cc1ccccc1 ZINC000246164768 436774492 /nfs/dbraw/zinc/77/44/92/436774492.db2.gz YAXYLOVPHLMLNY-QEJZJMRPSA-N 0 0 329.404 0.884 10 0 ECAERN C[C@H](O)CN1CCN(C(=O)COCCOc2ccccc2)C[C@@H]1C ZINC000246885675 436786772 /nfs/dbraw/zinc/78/67/72/436786772.db2.gz WXKBGAIPCCYMFQ-HOTGVXAUSA-N 0 0 336.432 0.996 10 0 ECAERN CC(C)[C@H](NC(=O)CN1CCOC[C@H]1C(N)=O)c1ccc(F)cc1 ZINC000246872299 436786976 /nfs/dbraw/zinc/78/69/76/436786976.db2.gz SSZCBIOILLPJLW-HOCLYGCPSA-N 0 0 337.395 0.825 10 0 ECAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)C(F)(F)C1(O)CCC1 ZINC000155122077 436790168 /nfs/dbraw/zinc/79/01/68/436790168.db2.gz ZVWOVDBJNSCHMF-SECBINFHSA-N 0 0 330.335 0.926 10 0 ECAERN C[C@@H](CNC(=O)c1ccc2c(c1)NC(=O)CCN2C)N1CCOCC1 ZINC000155424969 436794502 /nfs/dbraw/zinc/79/45/02/436794502.db2.gz XQQYAUHVLGJQLN-ZDUSSCGKSA-N 0 0 346.431 0.916 10 0 ECAERN CNS(=O)(=O)c1cc(C(=O)N[C@H]2CCCn3nc(C)nc32)co1 ZINC000155489581 436796627 /nfs/dbraw/zinc/79/66/27/436796627.db2.gz PQTAQCOVTCSZGW-JTQLQIEISA-N 0 0 339.377 0.353 10 0 ECAERN CNC(=O)[C@@H]1CN(C(=O)C2(c3ccc(OC)cc3)CC2)C[C@H]1CO ZINC000253403366 436842067 /nfs/dbraw/zinc/84/20/67/436842067.db2.gz HCXBHPFCSVISJK-SWLSCSKDSA-N 0 0 332.400 0.540 10 0 ECAERN CNC(=O)[C@@H]1CN(C(=O)CCc2c[nH]c3ccccc23)C[C@H]1CO ZINC000253414993 436843749 /nfs/dbraw/zinc/84/37/49/436843749.db2.gz ZHUHGQBFGALYDJ-DZGCQCFKSA-N 0 0 329.400 0.913 10 0 ECAERN CN1CCO[C@@H](CNC(=O)NCCc2nnc(-c3ccccc3)o2)C1 ZINC000158465812 436845570 /nfs/dbraw/zinc/84/55/70/436845570.db2.gz XRXLZOQMTHFDGH-AWEZNQCLSA-N 0 0 345.403 0.909 10 0 ECAERN C[C@H]1C[C@H]1c1cc(NC(=O)c2cn(CC(=O)N3CCCC3)nn2)n[nH]1 ZINC000253425693 436846613 /nfs/dbraw/zinc/84/66/13/436846613.db2.gz GNIQREFOIGMQIA-WDEREUQCSA-N 0 0 343.391 0.999 10 0 ECAERN C[C@@H]1C[C@H]1c1cc(NC(=O)c2cn(CC(=O)N3CCCC3)nn2)n[nH]1 ZINC000253425665 436846680 /nfs/dbraw/zinc/84/66/80/436846680.db2.gz GNIQREFOIGMQIA-GHMZBOCLSA-N 0 0 343.391 0.999 10 0 ECAERN CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1 ZINC000253552261 436848002 /nfs/dbraw/zinc/84/80/02/436848002.db2.gz QTAJPPVTUORZOQ-JOYOIKCWSA-N 0 0 331.376 0.895 10 0 ECAERN C[C@@H]1CC[C@H](C(=O)NCCS(=O)(=O)NCc2ccccc2)O1 ZINC000131744480 436856371 /nfs/dbraw/zinc/85/63/71/436856371.db2.gz PUESPRALDQMCLN-TZMCWYRMSA-N 0 0 326.418 0.790 10 0 ECAERN COc1ccc(C(=O)N2CCCOCCNC(=O)CC2)c(OC)n1 ZINC000257181213 436857192 /nfs/dbraw/zinc/85/71/92/436857192.db2.gz FGKHXUDBDRHORD-UHFFFAOYSA-N 0 0 337.376 0.468 10 0 ECAERN Cn1ccnc1C(=O)N1C[C@@H](COc2ccccc2)[C@H](C(N)=O)C1 ZINC000257187095 436857651 /nfs/dbraw/zinc/85/76/51/436857651.db2.gz LHSYDYMZDJXCPM-GXTWGEPZSA-N 0 0 328.372 0.673 10 0 ECAERN CN1CCO[C@H](CNC(=O)c2cc(N3CCNC3=O)ccc2F)C1 ZINC000157670191 436831108 /nfs/dbraw/zinc/83/11/08/436831108.db2.gz ZLBWMXHTWOAOBD-GFCCVEGCSA-N 0 0 336.367 0.416 10 0 ECAERN Cc1nn(C)c(C)c1OCC(=O)N[C@@H]1CCCN(c2cccnn2)C1 ZINC000134129923 436891855 /nfs/dbraw/zinc/89/18/55/436891855.db2.gz XFIQUPNXPNJSKS-CQSZACIVSA-N 0 0 344.419 0.991 10 0 ECAERN CCCC(=O)N[C@H]1CCCN(C(=O)N[C@H](C)CN2CCOCC2)C1 ZINC000171009184 436964139 /nfs/dbraw/zinc/96/41/39/436964139.db2.gz NEMDKZJNRTXQJL-CABCVRRESA-N 0 0 340.468 0.797 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)NC[C@H](O)Cc2ccccc2)C1 ZINC000263439455 436966910 /nfs/dbraw/zinc/96/69/10/436966910.db2.gz DFSQXBWVKSVLNW-UYSNPLJNSA-N 0 0 349.431 0.827 10 0 ECAERN CCCS(=O)(=O)CC(=O)N1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000171232492 436974214 /nfs/dbraw/zinc/97/42/14/436974214.db2.gz ZXDFLHUKDCXMOE-LBPRGKRZSA-N 0 0 329.422 0.984 10 0 ECAERN Cn1cc(CCCNS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cn1 ZINC000171244198 436975003 /nfs/dbraw/zinc/97/50/03/436975003.db2.gz LYLMVTFUWMPKHR-UHFFFAOYSA-N 0 0 335.389 0.501 10 0 ECAERN C[C@@H](OCC1CC1)C(=O)N1CCN(c2ccc3nncn3n2)CC1 ZINC000136410622 436931117 /nfs/dbraw/zinc/93/11/17/436931117.db2.gz LJEACMOMLVUSLO-GFCCVEGCSA-N 0 0 330.392 0.588 10 0 ECAERN C[C@@H]1CCCC[C@@H]1OCC(=O)N1CCO[C@H](C[N@H+](C)CC(=O)[O-])C1 ZINC000262976281 436945745 /nfs/dbraw/zinc/94/57/45/436945745.db2.gz SSTGTNDACMNOIV-KFWWJZLASA-N 0 0 342.436 0.826 10 0 ECAERN C[C@@H]1CCCC[C@H]1OCC(=O)N1CCO[C@H](C[N@H+](C)CC(=O)[O-])C1 ZINC000262976289 436946761 /nfs/dbraw/zinc/94/67/61/436946761.db2.gz SSTGTNDACMNOIV-RBSFLKMASA-N 0 0 342.436 0.826 10 0 ECAERN C[C@@H](CN1CCOCC1)N(Cc1ccccc1)C(=O)[C@@H]1CNC(=O)C1 ZINC000170847275 436957077 /nfs/dbraw/zinc/95/70/77/436957077.db2.gz CHFNQQSRDCQDPG-RDJZCZTQSA-N 0 0 345.443 0.872 10 0 ECAERN Cc1nc(C[C@H]2CCCN(C(=O)NCCNC(=O)C3CC3)C2)no1 ZINC000170883622 436958465 /nfs/dbraw/zinc/95/84/65/436958465.db2.gz ZCSBTUBFDWAXPX-GFCCVEGCSA-N 0 0 335.408 0.868 10 0 ECAERN O=C(CNC(=O)c1ccccn1)N1CCCN(c2cccnn2)CC1 ZINC000172541961 437019720 /nfs/dbraw/zinc/01/97/20/437019720.db2.gz GDNZZZYNLQRXFI-UHFFFAOYSA-N 0 0 340.387 0.340 10 0 ECAERN CN(CC(=O)N1CC[C@H](N2CCOCC2)C1)C(=O)c1cccs1 ZINC000172744060 437026957 /nfs/dbraw/zinc/02/69/57/437026957.db2.gz LVGPYFMFWPKQPA-ZDUSSCGKSA-N 0 0 337.445 0.753 10 0 ECAERN CCC(CC)N1C[C@H](C(=O)N2CC[C@@H](N3CCOCC3)C2)CC1=O ZINC000172750552 437027851 /nfs/dbraw/zinc/02/78/51/437027851.db2.gz QUDBRZOOBKRNJH-GDBMZVCRSA-N 0 0 337.464 0.957 10 0 ECAERN C[C@H](C(=O)NC[C@H]1CN(C)CCO1)n1nnc(-c2ccccc2)n1 ZINC000172922485 437033572 /nfs/dbraw/zinc/03/35/72/437033572.db2.gz LCXRMKZRYAEDEU-OCCSQVGLSA-N 0 0 330.392 0.348 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)N1CCC[C@@H](C3OCCO3)C1)CC2 ZINC000172041194 436997257 /nfs/dbraw/zinc/99/72/57/436997257.db2.gz NMUNJSOHNKZBED-CHWSQXEVSA-N 0 0 349.435 0.950 10 0 ECAERN CS(=O)(=O)N1CCC[C@H]1C(=O)N1CCC(Cn2cccn2)CC1 ZINC000172394218 437013106 /nfs/dbraw/zinc/01/31/06/437013106.db2.gz ZPAFWUGLCRKHRP-AWEZNQCLSA-N 0 0 340.449 0.546 10 0 ECAERN CCc1nccn1[C@@H]1CCCN(C(=O)NCCS(C)(=O)=O)C1 ZINC000172413248 437014537 /nfs/dbraw/zinc/01/45/37/437014537.db2.gz IMGIGGJHFQJEKQ-GFCCVEGCSA-N 0 0 328.438 0.837 10 0 ECAERN Cn1cccc(NC(=O)C(=O)N2CCCC[C@@H]2c2cn[nH]c2)c1=O ZINC000190139287 302960396 /nfs/dbraw/zinc/96/03/96/302960396.db2.gz OWXHXQMBZNTXHV-CYBMUJFWSA-N 0 0 329.360 0.801 10 0 ECAERN CNc1cc(N2CCC[C@H]2CNC(=O)CCCC(=O)N(C)C)ncn1 ZINC000173418073 437047486 /nfs/dbraw/zinc/04/74/86/437047486.db2.gz WEGNKEBCOQBUNB-ZDUSSCGKSA-N 0 0 348.451 0.862 10 0 ECAERN CCN1C[C@H](C(=O)NC[C@@H]2CCCN2c2cc(NC)ncn2)CC1=O ZINC000173445639 437049829 /nfs/dbraw/zinc/04/98/29/437049829.db2.gz BAVPCAOEZJJOFA-OLZOCXBDSA-N 0 0 346.435 0.472 10 0 ECAERN CNc1cc(N2CCC[C@H]2CNC(=O)NC[C@@H](O)C(C)C)ncn1 ZINC000173429901 437050031 /nfs/dbraw/zinc/05/00/31/437050031.db2.gz JOKJHVSBOJFINX-QWHCGFSZSA-N 0 0 336.440 0.803 10 0 ECAERN CC(C)c1nc([C@@H]2CCCN2C(=O)CN(C)S(C)(=O)=O)no1 ZINC000173436797 437051045 /nfs/dbraw/zinc/05/10/45/437051045.db2.gz TWIHDTMZEJCJFO-JTQLQIEISA-N 0 0 330.410 0.748 10 0 ECAERN O=S(=O)(c1cccc(F)c1F)N1CC[C@@](O)(c2cn[nH]n2)C1 ZINC000284944901 437074433 /nfs/dbraw/zinc/07/44/33/437074433.db2.gz JNHVACPBDCCISR-LBPRGKRZSA-N 0 0 330.316 0.365 10 0 ECAERN Cc1ccccc1C(=O)NCC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000173763986 437061454 /nfs/dbraw/zinc/06/14/54/437061454.db2.gz GDAYFZIULRLAHA-OAHLLOKOSA-N 0 0 331.416 0.658 10 0 ECAERN CC[C@H](C)NC(=O)[C@H](C)NC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000173798297 437063846 /nfs/dbraw/zinc/06/38/46/437063846.db2.gz VOJMYVOMMDMFBS-IHRRRGAJSA-N 0 0 326.441 0.406 10 0 ECAERN CCN(CC)C(=O)CCCNC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000173786724 437064644 /nfs/dbraw/zinc/06/46/44/437064644.db2.gz KRYVURXEJWUCIP-OAHLLOKOSA-N 0 0 340.468 0.751 10 0 ECAERN C[C@@H]1CN(C(=O)CCNC(=O)C(C)(C)C)C[C@@H]1N1CCOCC1 ZINC000173885005 437066468 /nfs/dbraw/zinc/06/64/68/437066468.db2.gz DUVXPJMDHWDSIS-KGLIPLIRSA-N 0 0 325.453 0.718 10 0 ECAERN COc1cccc(Cl)c1CC(=O)N1C[C@@H](OC)C[C@H]1C(N)=O ZINC000284722424 437066544 /nfs/dbraw/zinc/06/65/44/437066544.db2.gz BSVCQDQOBFWBSE-CABZTGNLSA-N 0 0 326.780 0.992 10 0 ECAERN CNC(=O)c1ccc(N[C@H]2CCCN(c3cc(C)nn3C)C2=O)nn1 ZINC000173917021 437068762 /nfs/dbraw/zinc/06/87/62/437068762.db2.gz RMCPPYMMAGQUFS-LBPRGKRZSA-N 0 0 343.391 0.486 10 0 ECAERN C[C@H](NC(=O)c1cn(CC(N)=O)nn1)c1cccc(-n2ccnc2)c1 ZINC000173922118 437069156 /nfs/dbraw/zinc/06/91/56/437069156.db2.gz ZWCPONUOGQJLHM-NSHDSACASA-N 0 0 339.359 0.440 10 0 ECAERN CCC(CC)[C@H](C(=O)NC[C@@H](C)N1CCOCC1)N1CCOCC1 ZINC000173067322 437037624 /nfs/dbraw/zinc/03/76/24/437037624.db2.gz QQWJAKDBKHMIPE-NVXWUHKLSA-N 0 0 341.496 0.960 10 0 ECAERN CCNS(=O)(=O)N(C)C[C@H](c1cccs1)N1CCOCC1 ZINC000175213327 437096393 /nfs/dbraw/zinc/09/63/93/437096393.db2.gz TXYRGYYANZACIZ-GFCCVEGCSA-N 0 0 333.479 0.908 10 0 ECAERN CC(C)(C)S(=O)(=O)CCNC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000175112969 437094496 /nfs/dbraw/zinc/09/44/96/437094496.db2.gz UPGKUPMRJHMSRN-SNVBAGLBSA-N 0 0 329.426 0.105 10 0 ECAERN Cc1cc(C(=O)NC[C@@H](O)CN2CCOCC2)c2ccccc2n1 ZINC000176438976 437144359 /nfs/dbraw/zinc/14/43/59/437144359.db2.gz DZSHSPHHJRRKDW-CQSZACIVSA-N 0 0 329.400 0.966 10 0 ECAERN C[C@H]1CN([C@@H](CNC(=O)CCNC(N)=O)c2cccs2)CCO1 ZINC000176589811 437150923 /nfs/dbraw/zinc/15/09/23/437150923.db2.gz QZSIIPJYUCWMBG-RYUDHWBXSA-N 0 0 340.449 0.685 10 0 ECAERN Cc1ccc(I)cc1NC(=O)[C@H](N)CC(N)=O ZINC000305959287 437165255 /nfs/dbraw/zinc/16/52/55/437165255.db2.gz ISSZNLIVKZLNKV-MRVPVSSYSA-N 0 0 347.156 0.741 10 0 ECAERN C[C@H]1CN(C(=O)CC2(CS(C)(=O)=O)CC2)C[C@@H]1N1CCOCC1 ZINC000176925591 437163940 /nfs/dbraw/zinc/16/39/40/437163940.db2.gz IGNXTJJTOKFQKA-KBPBESRZSA-N 0 0 344.477 0.380 10 0 ECAERN C[C@H]1CN(C(=O)NCc2nnc3n2CCCC3)C[C@H]1N1CCOCC1 ZINC000175692526 437113536 /nfs/dbraw/zinc/11/35/36/437113536.db2.gz ZQHXTKUOSNMYIT-UONOGXRCSA-N 0 0 348.451 0.477 10 0 ECAERN C[C@@H]1CN(C(=O)CC2(CS(C)(=O)=O)CC2)C[C@H]1N1CCOCC1 ZINC000176925606 437164701 /nfs/dbraw/zinc/16/47/01/437164701.db2.gz IGNXTJJTOKFQKA-ZIAGYGMSSA-N 0 0 344.477 0.380 10 0 ECAERN Cc1nccn1C[C@H]1CCCN1C(=O)NCCCN1C(=O)CCC1=O ZINC000176153165 437133347 /nfs/dbraw/zinc/13/33/47/437133347.db2.gz CXXKKTPJMHEZSK-CQSZACIVSA-N 0 0 347.419 0.905 10 0 ECAERN C[C@@H]1CN(CC(=O)Nc2ccccc2C(N)=O)C[C@@H]1N1CCOCC1 ZINC000177261866 437175546 /nfs/dbraw/zinc/17/55/46/437175546.db2.gz UJHHLJBCIMYJJP-CJNGLKHVSA-N 0 0 346.431 0.377 10 0 ECAERN CNc1cc(N2CCC[C@H]2CNC(=O)CCc2nnc[nH]2)ncn1 ZINC000177237503 437175940 /nfs/dbraw/zinc/17/59/40/437175940.db2.gz YYECHINECJVSHU-NSHDSACASA-N 0 0 330.396 0.354 10 0 ECAERN C[C@H](SC[C@@H](O)CO)C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000177419670 437183292 /nfs/dbraw/zinc/18/32/92/437183292.db2.gz FFVDPFUJTFKTCR-WFASDCNBSA-N 0 0 342.436 0.949 10 0 ECAERN CNS(=O)(=O)c1cc(C(=O)N2C[C@@H](C)O[C@H](C)C2)ccc1F ZINC000177392316 437183646 /nfs/dbraw/zinc/18/36/46/437183646.db2.gz YSJGCUWQMGSJDH-NXEZZACHSA-N 0 0 330.381 0.983 10 0 ECAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCCn2ncnc21 ZINC000177588137 437190194 /nfs/dbraw/zinc/19/01/94/437190194.db2.gz IUOBGVAOVPPGFM-NEPJUHHUSA-N 0 0 341.437 0.433 10 0 ECAERN Cn1nccc1C1CCN(C(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)CC1 ZINC000178261085 437210669 /nfs/dbraw/zinc/21/06/69/437210669.db2.gz FGHAHGPAGIKNKJ-CYBMUJFWSA-N 0 0 342.403 0.902 10 0 ECAERN C[C@@H](C(=O)N1CCN(c2ccccn2)CC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000178630680 437220598 /nfs/dbraw/zinc/22/05/98/437220598.db2.gz ZLNJTEHOOVNMDA-DLBZAZTESA-N 0 0 343.475 0.899 10 0 ECAERN Cn1cnnc1[C@H]1CN(C(=O)Cn2ncc3ccccc32)CCO1 ZINC000328629728 437241825 /nfs/dbraw/zinc/24/18/25/437241825.db2.gz PCOQZDNAMBVCPY-CQSZACIVSA-N 0 0 326.360 0.765 10 0 ECAERN CCn1cc(NC(=O)C(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)cn1 ZINC000180247689 437282502 /nfs/dbraw/zinc/28/25/02/437282502.db2.gz RJTFDSPIRNZWRM-TZMCWYRMSA-N 0 0 335.408 0.021 10 0 ECAERN O=C(NC[C@H](O)CN1CCOCC1)c1ccc(C(F)(F)F)cc1O ZINC000180382004 437289312 /nfs/dbraw/zinc/28/93/12/437289312.db2.gz IBFPXBLJPBTBDA-NSHDSACASA-N 0 0 348.321 0.834 10 0 ECAERN CC(=O)N[C@@H](CC(C)C)C(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000183147900 437376510 /nfs/dbraw/zinc/37/65/10/437376510.db2.gz CPUKQSFBMYSGES-CWRNSKLLSA-N 0 0 325.453 0.716 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)c2ccccc2-n2ccnn2)CC1 ZINC000182646556 437357064 /nfs/dbraw/zinc/35/70/64/437357064.db2.gz VECITSDUSWWSCX-CQSZACIVSA-N 0 0 329.404 0.796 10 0 ECAERN CCCOCc1ccccc1CNC(=O)CN1C[C@H](O)C[C@@H]1CO ZINC000185146128 437427371 /nfs/dbraw/zinc/42/73/71/437427371.db2.gz OVNZYLWMEOKALC-IAGOWNOFSA-N 0 0 336.432 0.657 10 0 ECAERN CN(C)S(=O)(=O)[C@@H]1CN(Cc2cc[nH]n2)C[C@H]1C(F)(F)F ZINC000289792024 437442033 /nfs/dbraw/zinc/44/20/33/437442033.db2.gz SBQHRPRMEPBCCW-NXEZZACHSA-N 0 0 326.344 0.664 10 0 ECAERN COc1ccc2c(c1)nc(CNC(=O)NC[C@@H]1CN(C)CCO1)n2C ZINC000185678518 437447687 /nfs/dbraw/zinc/44/76/87/437447687.db2.gz ABDFFPSAZVRSMH-CYBMUJFWSA-N 0 0 347.419 0.712 10 0 ECAERN COCC(=O)NC1CN(C(=O)NCc2ccn(C3CCCC3)n2)C1 ZINC000185689058 437447956 /nfs/dbraw/zinc/44/79/56/437447956.db2.gz NNVOOXXWFIVMFU-UHFFFAOYSA-N 0 0 335.408 0.655 10 0 ECAERN O=C(Nc1ccon1)C(=O)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000186124879 437460674 /nfs/dbraw/zinc/46/06/74/437460674.db2.gz OUKHKSQQDMLWGN-CQSZACIVSA-N 0 0 344.371 0.491 10 0 ECAERN CCN(C)C(=O)CNC(=O)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000186198117 437465009 /nfs/dbraw/zinc/46/50/09/437465009.db2.gz DWQYQDITRYSIBL-UHFFFAOYSA-N 0 0 336.440 0.116 10 0 ECAERN Cn1cc(NC(=O)C(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)cn1 ZINC000186280016 437468695 /nfs/dbraw/zinc/46/86/95/437468695.db2.gz ISXYCVRMFUUQLA-AAEUAGOBSA-N 0 0 334.401 0.655 10 0 ECAERN CCc1ccc([C@@H](CNC(=O)[C@H]2C[C@@H](O)CN2C(C)=O)[NH+](C)C)cc1 ZINC000188468853 437550613 /nfs/dbraw/zinc/55/06/13/437550613.db2.gz PYGGHOMOPFVHQF-KZNAEPCWSA-N 0 0 347.459 0.950 10 0 ECAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)c1cc2c(cn1)nc[nH]c2=O ZINC000188509013 437553734 /nfs/dbraw/zinc/55/37/34/437553734.db2.gz HZRCUNMJIKNIJS-SNVBAGLBSA-N 0 0 339.359 0.737 10 0 ECAERN CC(=O)NC1CN(C(=O)C[C@H](C)S(=O)(=O)c2ccc(F)cc2)C1 ZINC000190460906 437626282 /nfs/dbraw/zinc/62/62/82/437626282.db2.gz DJVRQVDAHPTWKK-JTQLQIEISA-N 0 0 342.392 0.725 10 0 ECAERN CN(C)c1ncncc1NC(=O)C(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000190746868 437636838 /nfs/dbraw/zinc/63/68/38/437636838.db2.gz VNGZKVJKMIWFIB-GFCCVEGCSA-N 0 0 343.391 0.369 10 0 ECAERN CC1=C(C(=O)NC[C@@H](C)N2CCOCC2)[C@@H](C)n2ncnc2N1C ZINC000192154657 437668080 /nfs/dbraw/zinc/66/80/80/437668080.db2.gz LJPXYMRCLBAWPP-DGCLKSJQSA-N 0 0 334.424 0.400 10 0 ECAERN COCc1c(C(=O)N2CC(NC(C)=O)C2)cnn1-c1ccccc1 ZINC000190445241 437625615 /nfs/dbraw/zinc/62/56/15/437625615.db2.gz OCHLXIIVJHNLRP-UHFFFAOYSA-N 0 0 328.372 0.979 10 0 ECAERN CO[C@H]1C[C@@H](CO)N(CC(=O)NCCOc2cccc(F)c2)C1 ZINC000344687620 437762337 /nfs/dbraw/zinc/76/23/37/437762337.db2.gz ZYYTWTNTWJAISZ-ZFWWWQNUSA-N 0 0 326.368 0.402 10 0 ECAERN COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)N1C[C@H]2OCCN(C)[C@H]2C1 ZINC000356515075 437774960 /nfs/dbraw/zinc/77/49/60/437774960.db2.gz GMYPBTMXRLKANJ-RQJABVFESA-N 0 0 346.449 0.063 10 0 ECAERN C[C@@H]1CN(C(=O)[C@@H]2OCC(=O)N(C)[C@@H]2c2ccccc2)CC[C@@H]1O ZINC000365457166 437917942 /nfs/dbraw/zinc/91/79/42/437917942.db2.gz GXNZCHNAIZEUJF-JWZBEHFJSA-N 0 0 332.400 0.814 10 0 ECAERN CN(CC(N)=O)C[C@H]1CN(C(=O)c2cc3c(cccc3F)[nH]2)CCO1 ZINC000372523643 438092408 /nfs/dbraw/zinc/09/24/08/438092408.db2.gz CEFVQHQREJLSMG-NSHDSACASA-N 0 0 348.378 0.565 10 0 ECAERN CN1CCO[C@H](C(=O)N2C[C@@H](O)C[C@H]2c2ccc(F)c(F)c2)C1 ZINC000374259678 438201021 /nfs/dbraw/zinc/20/10/21/438201021.db2.gz QCOYCALRHGVTQN-CQDKDKBSSA-N 0 0 326.343 0.930 10 0 ECAERN COC[C@@H]1CN(C(=O)N[C@@H]2CCCC[C@H]2S(C)(=O)=O)CCO1 ZINC000368365884 438320795 /nfs/dbraw/zinc/32/07/95/438320795.db2.gz WJXAUXIRPPMXMF-YNEHKIRRSA-N 0 0 334.438 0.399 10 0 ECAERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)NC1CCN(C(C)=O)CC1 ZINC000389422139 438428091 /nfs/dbraw/zinc/42/80/91/438428091.db2.gz PVNXTEGGAJOKSW-OLZOCXBDSA-N 0 0 332.422 0.258 10 0 ECAERN [NH3+]CCc1ccc(S(=O)(=O)[N-]C(=O)N[C@H]2CC[C@H](O)CC2)cc1 ZINC000575168134 438740875 /nfs/dbraw/zinc/74/08/75/438740875.db2.gz LXXRTFLKXLWKDV-JOCQHMNTSA-N 0 0 341.433 0.479 10 0 ECAERN COC(=O)c1ncn([C@H]2O[C@H](COC(C)=O)[C@H]3OC(C)(C)O[C@H]32)n1 ZINC000575418490 438748726 /nfs/dbraw/zinc/74/87/26/438748726.db2.gz QEPMHZGGDGDYIX-BFLSOPEQSA-N 0 0 341.320 0.045 10 0 ECAERN CC(C)n1cc([C@]2(O)CCN(S(=O)(=O)CCC3CC3)C2)nn1 ZINC000583616314 439487004 /nfs/dbraw/zinc/48/70/04/439487004.db2.gz GBXQZYSORNVMDM-AWEZNQCLSA-N 0 0 328.438 0.882 10 0 ECAERN O[C@@]1(c2cn[nH]n2)CCCN(Cc2cnn(-c3ccccc3)n2)C1 ZINC000583617553 439489749 /nfs/dbraw/zinc/48/97/49/439489749.db2.gz SZCVTXBLVWOPKA-INIZCTEOSA-N 0 0 325.376 0.869 10 0 ECAERN CON(C)C(=O)[C@@]1(N2CCN(C(=O)OC(C)(C)C)CC2)CCOC1 ZINC000536952313 439541073 /nfs/dbraw/zinc/54/10/73/439541073.db2.gz AVLIUINTMVIWSD-MRXNPFEDSA-N 0 0 343.424 0.718 10 0 ECAERN O=C(NCCCO)c1cc(C(=O)NCCCO)c2ccc(F)cc2n1 ZINC000584623907 439605732 /nfs/dbraw/zinc/60/57/32/439605732.db2.gz FKHBOSZPMXCFGM-UHFFFAOYSA-N 0 0 349.362 0.598 10 0 ECAERN Nc1ncc(-c2ccco2)nc1C(=O)NCCCN1CCOCC1 ZINC000584662097 439607602 /nfs/dbraw/zinc/60/76/02/439607602.db2.gz PMWFQDIDZGJION-UHFFFAOYSA-N 0 0 331.376 0.771 10 0 ECAERN C[C@H](NC(=O)c1cccs1)C(=O)N[C@@H]1C[C@H](O)[C@H]1n1cccn1 ZINC000616768451 439821879 /nfs/dbraw/zinc/82/18/79/439821879.db2.gz CJHCUQLXJZVBAE-NOHGZBONSA-N 0 0 334.401 0.554 10 0 ECAERN O=C(Cn1ccc2ccccc2c1=O)N[C@H]1C[C@@H](O)[C@@H]1n1cccn1 ZINC000616775398 439822409 /nfs/dbraw/zinc/82/24/09/439822409.db2.gz KXMGLIKVUUBIHX-ZMSDIMECSA-N 0 0 338.367 0.689 10 0 ECAERN CCN1CCO[C@@H](CNC(=O)c2cncc(O)c2)[C@@H]1c1cnn(C)c1 ZINC000618145709 440058499 /nfs/dbraw/zinc/05/84/99/440058499.db2.gz XKKHYRZOZMMFMC-HOTGVXAUSA-N 0 0 345.403 0.713 10 0 ECAERN CCN1CCO[C@@H](CNC(=O)c2ccnnc2C)[C@@H]1c1cnn(C)c1 ZINC000618144446 440058853 /nfs/dbraw/zinc/05/88/53/440058853.db2.gz BTZMEDYOWYQYPQ-HOTGVXAUSA-N 0 0 344.419 0.710 10 0 ECAERN CNC(=O)C[C@]1(O)CCCN(C(=O)Cc2[nH]nc3ccccc32)C1 ZINC000644036882 440426032 /nfs/dbraw/zinc/42/60/32/440426032.db2.gz ZZHIXMBCWIFYPP-QGZVFWFLSA-N 0 0 330.388 0.595 10 0 ECAERN O=C(NCCCN1CCOCC1)[C@H](Cc1ccccc1)n1cnnn1 ZINC000644676103 440672326 /nfs/dbraw/zinc/67/23/26/440672326.db2.gz AUPFDALIZKOIMN-INIZCTEOSA-N 0 0 344.419 0.295 10 0 ECAERN CCN1CCO[C@@H](CNS(=O)(=O)CC2CC2)[C@@H]1c1cnn(C)c1 ZINC000657120308 440961449 /nfs/dbraw/zinc/96/14/49/440961449.db2.gz VXOFOCOMCZFQQY-GJZGRUSLSA-N 0 0 342.465 0.511 10 0 ECAERN CO[C@@H]1CN(S(=O)(=O)N(C)[C@@H](C)C2CC2)C[C@H]1c1cn[nH]n1 ZINC000657144135 440972557 /nfs/dbraw/zinc/97/25/57/440972557.db2.gz BAZIKXUGHBDQHJ-XHVZSJERSA-N 0 0 329.426 0.194 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)NCC(=O)N2CCCCC2)CC1 ZINC000184838103 320535218 /nfs/dbraw/zinc/53/52/18/320535218.db2.gz VOEMTQKRUDAPDA-AWEZNQCLSA-N 0 0 326.441 0.097 10 0 ECAERN O=C(CCNC(=O)c1cccs1)N1CC(NC(=O)C2CCC2)C1 ZINC000188545040 320538609 /nfs/dbraw/zinc/53/86/09/320538609.db2.gz YOTULHDMDQHDJU-UHFFFAOYSA-N 0 0 335.429 0.995 10 0 ECAERN O=S(=O)(c1ccc(N2CC(n3ccnn3)C2)nc1)N1CCCC1 ZINC000328690849 320727579 /nfs/dbraw/zinc/72/75/79/320727579.db2.gz IONNCKYIWODECD-UHFFFAOYSA-N 0 0 334.405 0.519 10 0 ECAERN Cc1cc(C)n2nc(CC(=O)N3CCO[C@H](C(=O)C4CC4)C3)nc2n1 ZINC000328701903 320728093 /nfs/dbraw/zinc/72/80/93/320728093.db2.gz WYDBKYSWALUCET-ZDUSSCGKSA-N 0 0 343.387 0.490 10 0 ECAERN CC(C)c1nc([C@@H]2COCCN2C(=O)[C@@H](C)N2CCOCC2)no1 ZINC000329399337 320769903 /nfs/dbraw/zinc/76/99/03/320769903.db2.gz XHXSGQCYPFLTJV-OLZOCXBDSA-N 0 0 338.408 0.814 10 0 ECAERN O=C([C@@H]1COCCO1)N1CCNC(=O)[C@@H]1Cc1nc2ccccc2o1 ZINC000329925320 320795924 /nfs/dbraw/zinc/79/59/24/320795924.db2.gz VIVMBTQQYAMJIJ-JSGCOSHPSA-N 0 0 345.355 0.953 10 0 ECAERN COCCN1CCCN(C(=O)c2cccc3c2OCC(=O)N3)CC1=O ZINC000329935854 320796564 /nfs/dbraw/zinc/79/65/64/320796564.db2.gz CSEYEYHQUBGRKL-UHFFFAOYSA-N 0 0 347.371 0.988 10 0 ECAERN Cc1nn(C)c(C)c1[C@H]1[C@H](Nc2cncc3nncn32)CC(=O)N1C ZINC000330111461 320805328 /nfs/dbraw/zinc/80/53/28/320805328.db2.gz BCNUEUSAOUZKAO-BDJLRTHQSA-N 0 0 340.391 0.859 10 0 ECAERN O=S(=O)(c1cnc2ccc(F)cc2c1)N1CCN(CCO)CC1 ZINC000330227287 320811321 /nfs/dbraw/zinc/81/13/21/320811321.db2.gz BXTDCDKDVLDKBP-UHFFFAOYSA-N 0 0 339.392 0.673 10 0 ECAERN Cc1cc(N2CCC[C@H](NC(=O)NC[C@H]3CCCO3)C2=O)n(C)n1 ZINC000174034366 533895368 /nfs/dbraw/zinc/89/53/68/533895368.db2.gz ZYTNTLHWLMFULZ-OLZOCXBDSA-N 0 0 335.408 0.702 10 0 ECAERN Cc1ccc2c(c1)[C@H](NC(=O)Cn1ccc(=O)n(C)c1=O)[C@@H](C)C2 ZINC000181228538 534442128 /nfs/dbraw/zinc/44/21/28/534442128.db2.gz YOVYTHIKSAFKJW-YVEFUNNKSA-N 0 0 327.384 0.905 10 0 ECAERN O=C(Nc1cnn(CC(F)F)c1)C(=O)N[C@@H]1CCCC[C@H]1CO ZINC000158285374 534466819 /nfs/dbraw/zinc/46/68/19/534466819.db2.gz FVFWDGFIWPXTBB-GXSJLCMTSA-N 0 0 330.335 0.754 10 0 ECAERN O=C(CN1CCC[C@H](n2cncn2)C1)NC(=O)NCc1ccco1 ZINC000171705147 534532818 /nfs/dbraw/zinc/53/28/18/534532818.db2.gz BKKRPNRULQKPFA-LBPRGKRZSA-N 0 0 332.364 0.534 10 0 ECAERN O=C(NCc1ccc(F)cc1)C(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000173675581 534661569 /nfs/dbraw/zinc/66/15/69/534661569.db2.gz JJDSOVFTBJTRRJ-OAHLLOKOSA-N 0 0 346.362 0.566 10 0 ECAERN O=C(c1ccnc(F)c1)N1CCN(c2ccc3nncn3n2)CC1 ZINC000136393804 534763366 /nfs/dbraw/zinc/76/33/66/534763366.db2.gz HLBIECCNWQYMQD-UHFFFAOYSA-N 0 0 327.323 0.621 10 0 ECAERN CC(=O)NC1CN(C(=O)C(=O)Nc2sc(C)nc2CC(C)C)C1 ZINC000191342391 526705026 /nfs/dbraw/zinc/70/50/26/526705026.db2.gz HSRAHLAVBMAISF-UHFFFAOYSA-N 0 0 338.433 0.935 10 0 ECAERN CCCN(C)S(=O)(=O)N[C@@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000178356577 527860661 /nfs/dbraw/zinc/86/06/61/527860661.db2.gz MAEVOUYOZCVFBF-GFCCVEGCSA-N 0 0 343.453 0.400 10 0 ECAERN CCN(CC1CC1)S(=O)(=O)N1CCN(Cc2ccon2)CC1 ZINC000183937222 528332851 /nfs/dbraw/zinc/33/28/51/528332851.db2.gz HFLLSXONYVVGRV-UHFFFAOYSA-N 0 0 328.438 0.769 10 0 ECAERN CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)NC(CO)CO ZINC000132382798 528569520 /nfs/dbraw/zinc/56/95/20/528569520.db2.gz IKJXALLHGIBPEX-CYBMUJFWSA-N 0 0 330.331 0.189 10 0 ECAERN CC(C)NC(=O)CCNC(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000181426234 529123750 /nfs/dbraw/zinc/12/37/50/529123750.db2.gz CRZDDQOXVJSWMG-GFCCVEGCSA-N 0 0 336.440 0.930 10 0 ECAERN CN[C@H](C(=O)NCc1cccc(OCC(=O)OC)c1)c1cnn(C)c1 ZINC000262547937 536384418 /nfs/dbraw/zinc/38/44/18/536384418.db2.gz OFWDLDQTZGKSFA-INIZCTEOSA-N 0 0 346.387 0.549 10 0 ECAERN CN(Cc1cnn(C)c1)C(=O)CN1CC[C@@H](Oc2cccnc2)C1 ZINC000152188156 545815204 /nfs/dbraw/zinc/81/52/04/545815204.db2.gz AXDJWFPWGQFHIH-MRXNPFEDSA-N 0 0 329.404 0.927 10 0 ECAERN C[C@H](NC(=O)[C@@H]1CCCN1S(C)(=O)=O)c1nnc2n1CCCC2 ZINC000178607056 545878183 /nfs/dbraw/zinc/87/81/83/545878183.db2.gz MTUWRFBHIPPDIR-QWRGUYRKSA-N 0 0 341.437 0.216 10 0 ECAERN CC(C)c1ccnc(N2CCN(C[C@H](O)CN3CCCC3=O)CC2)n1 ZINC000185865459 545895506 /nfs/dbraw/zinc/89/55/06/545895506.db2.gz UXGHVIXKNZIZDF-HNNXBMFYSA-N 0 0 347.463 0.705 10 0 ECAERN Cc1ccccc1C(=O)N[C@H](C(=O)N1CC[C@@H](CO)[C@@H](O)C1)C(C)C ZINC000249306422 545944488 /nfs/dbraw/zinc/94/44/88/545944488.db2.gz MZCIHZWQENQMOE-XIRDDKMYSA-N 0 0 348.443 0.951 10 0 ECAERN Cc1ccccc1S(=O)(=O)N1C[C@@H](O)[C@H](Oc2cnn(C)c2)C1 ZINC000625311479 547068226 /nfs/dbraw/zinc/06/82/26/547068226.db2.gz BYNZPKXNVQZKIW-ZIAGYGMSSA-N 0 0 337.401 0.541 10 0 ECAERN O=C(c1ccc2[nH][nH]c(=O)c2c1)N1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000668378274 547640596 /nfs/dbraw/zinc/64/05/96/547640596.db2.gz NXTFIYGSTIVWTP-LSDHHAIUSA-N 0 0 330.388 0.940 10 0 ECAERN O=C1[C@@H]2CC=CC[C@H]2C(=O)N1CN(C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000014265792 586223809 /nfs/dbraw/zinc/22/38/09/586223809.db2.gz PKIXGLXHCYGCNC-MGPQQGTHSA-N 0 0 338.429 0.547 10 0 ECAERN Cn1c2ccccc2n(CC(=O)N[C@H]2C[C@@H](O)[C@@H]2n2cccn2)c1=O ZINC000888077106 586245754 /nfs/dbraw/zinc/24/57/54/586245754.db2.gz KEHRNFXEBKOMEQ-SGIREYDYSA-N 0 0 341.371 0.027 10 0 ECAERN CO[C@@H]1CN(C(=O)c2ccc3nonc3c2)C[C@H]1c1cn(C)nn1 ZINC000888078011 586246547 /nfs/dbraw/zinc/24/65/47/586246547.db2.gz BAJLWXFDSVFSTO-IINYFYTJSA-N 0 0 328.332 0.606 10 0 ECAERN C[C@H](O)CN1CCN(c2nc(Cl)ccc2S(N)(=O)=O)C[C@@H]1C ZINC000892354047 586256967 /nfs/dbraw/zinc/25/69/67/586256967.db2.gz FLYDYUBINTYOLQ-UWVGGRQHSA-N 0 0 348.856 0.274 10 0 ECAERN Cc1n[nH]cc1C(=O)N[C@@H]1CCCC[C@@H]1Cc1nn(C)c(=O)n1C ZINC000888095345 586349318 /nfs/dbraw/zinc/34/93/18/586349318.db2.gz WPGVYMTWTMFKQK-DGCLKSJQSA-N 0 0 332.408 0.682 10 0 ECAERN Cc1nn(C)c(C)c1CCC(=O)N[C@H]1CCC(=O)N[C@@H]1[C@@H]1CCCO1 ZINC000888095824 586349440 /nfs/dbraw/zinc/34/94/40/586349440.db2.gz YYNROURMEPAPCZ-MPGHIAIKSA-N 0 0 348.447 0.912 10 0 ECAERN CCn1ncnc1CNC(=O)c1coc(CN2CC[C@@H](OC)C2)n1 ZINC000888095295 586349522 /nfs/dbraw/zinc/34/95/22/586349522.db2.gz ORKNCOASLUPZDO-LLVKDONJSA-N 0 0 334.380 0.437 10 0 ECAERN Cc1n[nH]c(C)c1CCC(=O)N[C@H]1CCC(=O)N[C@@H]1[C@@H]1CCCO1 ZINC000888095617 586349545 /nfs/dbraw/zinc/34/95/45/586349545.db2.gz UXBGTIHFSPIFFM-ZQIUZPCESA-N 0 0 334.420 0.902 10 0 ECAERN Cn1ncc(Cl)c1S(=O)(=O)N[C@@H]1C[C@@H](O)C12CCOCC2 ZINC000888099107 586350363 /nfs/dbraw/zinc/35/03/63/586350363.db2.gz SLEPNQJKEPNJOB-NXEZZACHSA-N 0 0 335.813 0.282 10 0 ECAERN CC[C@H]1CN(C(=O)C(C)C)CC[C@H]1NC(=O)N1CCOCCN1 ZINC000893811803 586361035 /nfs/dbraw/zinc/36/10/35/586361035.db2.gz ZTQLITFGOMJPDV-UONOGXRCSA-N 0 0 326.441 0.816 10 0 ECAERN CC[C@H]1CN(C(=O)c2cn([C@@H]3CC[C@H]3O)nn2)CCN1CCOC ZINC000900745213 586662236 /nfs/dbraw/zinc/66/22/36/586662236.db2.gz JHDLEYORESISPM-NWANDNLSSA-N 0 0 337.424 0.157 10 0 ECAERN C[C@@H]1CN(C)C[C@H](C(=O)NCC[C@@]2(O)C(=O)Nc3ccccc32)O1 ZINC000829012314 588214962 /nfs/dbraw/zinc/21/49/62/588214962.db2.gz ABAKRUFWTJDOOT-ZLENFMNRSA-N 0 0 333.388 0.052 10 0 ECAERN CCNC(=O)NC(=O)[C@H](C)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000105820371 589139804 /nfs/dbraw/zinc/13/98/04/589139804.db2.gz PEMULFQTQWGKFR-HOCLYGCPSA-N 0 0 348.447 0.572 10 0 ECAERN Cn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2cccc3ncnn32)cn1 ZINC000862923185 589974173 /nfs/dbraw/zinc/97/41/73/589974173.db2.gz OIUWOZJVNQLAQH-WCQYABFASA-N 0 0 328.332 0.039 10 0 ECAERN CCN1C(=O)CO[C@@H](CNC(=O)Cc2ccco2)[C@@H]1c1nccn1C ZINC000886027180 590786638 /nfs/dbraw/zinc/78/66/38/590786638.db2.gz NCHFIQGJLAOCEH-XJKSGUPXSA-N 0 0 346.387 0.660 10 0 ECAERN CCN1CCO[C@@H](CNC(=O)c2cc(C)no2)[C@@H]1c1nccn1C ZINC000886027238 590787193 /nfs/dbraw/zinc/78/71/93/590787193.db2.gz PPENKPWEHLEFQG-UONOGXRCSA-N 0 0 333.392 0.908 10 0 ECAERN Cc1cc2c(N3CCC[C@](O)(Cc4nncn4C)C3)nccn2n1 ZINC000886065767 590790023 /nfs/dbraw/zinc/79/00/23/590790023.db2.gz SWCODZZPLIPHET-INIZCTEOSA-N 0 0 327.392 0.740 10 0 ECAERN O=C(CN1CCCC[C@@H](O)C1=O)NCc1ncc(C(F)(F)F)cn1 ZINC000886078449 590791692 /nfs/dbraw/zinc/79/16/92/590791692.db2.gz RPXLZCIABRLZMD-SNVBAGLBSA-N 0 0 346.309 0.485 10 0 ECAERN Cn1ccnc1[C@H]1[C@H](NS(=O)(=O)c2ccoc2)CCC(=O)N1C ZINC000886079255 590791960 /nfs/dbraw/zinc/79/19/60/590791960.db2.gz OVMLNINBIDFCCK-DGCLKSJQSA-N 0 0 338.389 0.654 10 0 ECAERN Nc1ccc([C@@H]2CCCN2Cc2nnnn2CC(F)(F)F)nn1 ZINC000886080474 590792379 /nfs/dbraw/zinc/79/23/79/590792379.db2.gz TTYQWUPXKMIEOE-VIFPVBQESA-N 0 0 328.302 0.945 10 0 ECAERN Cn1nccc1[C@H]1[C@H](CNc2ccc3nncn3n2)OCCN1C ZINC000886082021 590792403 /nfs/dbraw/zinc/79/24/03/590792403.db2.gz UPNQAMARCPCPAW-WFASDCNBSA-N 0 0 328.380 0.342 10 0 ECAERN Cn1cnnc1C[C@@]1(O)CCCN(C(=O)c2ccc3c(c2)OCO3)C1 ZINC000886084750 590792456 /nfs/dbraw/zinc/79/24/56/590792456.db2.gz DSLQNSZFLIHSTH-KRWDZBQOSA-N 0 0 344.371 0.754 10 0 ECAERN CC(C)Cn1cc(C(=O)N2CCC[C@](O)(Cc3nncn3C)C2)cn1 ZINC000886084957 590792468 /nfs/dbraw/zinc/79/24/68/590792468.db2.gz NZCRMZHUJNSIPT-KRWDZBQOSA-N 0 0 346.435 0.877 10 0 ECAERN COc1ccc(CN2CCN([C@@]3(C(N)=O)CCOC3)CC2)cc1F ZINC000886093367 590794757 /nfs/dbraw/zinc/79/47/57/590794757.db2.gz FDKFNNYKCWBBEI-KRWDZBQOSA-N 0 0 337.395 0.596 10 0 ECAERN C[C@@H](NC(=O)N1CC[C@H](N2CCOCC2)C1)c1nnnn1C1CC1 ZINC000188872948 611418162 /nfs/dbraw/zinc/41/81/62/611418162.db2.gz KLQUYWDOUKBYNZ-YPMHNXCESA-N 0 0 335.412 0.185 10 0 ECAERN C[C@H](NC(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1)c1nnnn1C1CC1 ZINC000188951817 611444596 /nfs/dbraw/zinc/44/45/96/611444596.db2.gz PMVDWCTXAHODFH-OBJOEFQTSA-N 0 0 349.439 0.431 10 0 ECAERN CCCn1cc(NC(=O)C(=O)N2CCN(C[C@@H](O)CC)CC2)cn1 ZINC000189467609 611629496 /nfs/dbraw/zinc/62/94/96/611629496.db2.gz BBWJNDFIZACDFS-AWEZNQCLSA-N 0 0 337.424 0.147 10 0 ECAERN C[C@@H]1[C@H](C)S(=O)(=O)CCN1CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000247231506 608638597 /nfs/dbraw/zinc/63/85/97/608638597.db2.gz XRKLJZMAVXEDKQ-YVECIDJPSA-N 0 0 326.418 0.403 10 0 ECAERN O=C1CC2(CN1CN1CCO[C@@H](Cn3cccn3)C1)CCOCC2 ZINC000176767292 608864640 /nfs/dbraw/zinc/86/46/40/608864640.db2.gz AHHZXLFYQGGWBO-OAHLLOKOSA-N 0 0 334.420 0.571 10 0 ECAERN CN(C)C(=O)[C@H]1CCCN1Cc1ccc(S(=O)(=O)N(C)C)o1 ZINC000052311135 608872397 /nfs/dbraw/zinc/87/23/97/608872397.db2.gz VNGUKGHARRSQDQ-GFCCVEGCSA-N 0 0 329.422 0.583 10 0 ECAERN Cc1noc(CO[C@H]2CCCN(S(=O)(=O)c3cn(C)cn3)C2)n1 ZINC000075403298 611675314 /nfs/dbraw/zinc/67/53/14/611675314.db2.gz BFMPCEHXEDBMRI-NSHDSACASA-N 0 0 341.393 0.481 10 0 ECAERN O=S(=O)(c1ccccc1Br)N1CCOC[C@H]1CO ZINC000168673761 609031367 /nfs/dbraw/zinc/03/13/67/609031367.db2.gz ORZABNWCIODIKB-SECBINFHSA-N 0 0 336.207 0.831 10 0 ECAERN CC(C)CS(=O)(=O)N1CCC(NC(=O)C[C@H](O)C(C)C)CC1 ZINC000181556436 609099850 /nfs/dbraw/zinc/09/98/50/609099850.db2.gz LGAWDQYMXMEFRF-AWEZNQCLSA-N 0 0 334.482 0.960 10 0 ECAERN O=C(NCCCO)[C@H]1CN(C(=O)c2ccco2)Cc2cccnc21 ZINC000222675978 609105223 /nfs/dbraw/zinc/10/52/23/609105223.db2.gz ZKYBBHDRIFALJW-ZDUSSCGKSA-N 0 0 329.356 0.913 10 0 ECAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)C2CN([C@H]3CCOC3)C2)C1 ZINC000907729011 609617420 /nfs/dbraw/zinc/61/74/20/609617420.db2.gz GMVUOCYRBYMSPS-BFHYXJOUSA-N 0 0 336.392 0.387 10 0 ECAERN CC(C)c1nnc([C@@H]2CCCCN2C(=O)[C@@H]2OCCN(C)C2=O)[nH]1 ZINC000908251113 609648993 /nfs/dbraw/zinc/64/89/93/609648993.db2.gz BEVPBOSECGCCLS-NWDGAFQWSA-N 0 0 335.408 0.839 10 0 ECAERN CCN1CCN(C(=O)c2c(C)oc3ncn(CCOC)c(=O)c32)CC1 ZINC000222754767 609704369 /nfs/dbraw/zinc/70/43/69/609704369.db2.gz HNRVGAAPCQJIQS-UHFFFAOYSA-N 0 0 348.403 0.722 10 0 ECAERN Cc1noc(-c2cncn(CCC(=O)NCc3ccccn3)c2=O)n1 ZINC000222846220 609705111 /nfs/dbraw/zinc/70/51/11/609705111.db2.gz QODCOVCOPCCAKO-UHFFFAOYSA-N 0 0 340.343 0.703 10 0 ECAERN Cc1cc(C(=O)NCC2(CN3CCOCC3)CCOCC2)n(C)n1 ZINC000223613002 609713025 /nfs/dbraw/zinc/71/30/25/609713025.db2.gz JMFNOZBEPAZKTE-UHFFFAOYSA-N 0 0 336.436 0.587 10 0 ECAERN CCn1ncc(N2CCC[C@H](CC(=O)N3CCN(C)CC3)C2)cc1=O ZINC000169763310 609745447 /nfs/dbraw/zinc/74/54/47/609745447.db2.gz QVIYGCMMPSPNGZ-OAHLLOKOSA-N 0 0 347.463 0.644 10 0 ECAERN CCCC(=O)N[C@H]1CCCN(Cn2nnn(-c3ccccc3)c2=O)C1 ZINC000170639026 609750918 /nfs/dbraw/zinc/75/09/18/609750918.db2.gz QIDICSVXIOHFRD-AWEZNQCLSA-N 0 0 344.419 0.767 10 0 ECAERN C[C@@H](C(=O)NC[C@H](O)CN1CCOCC1)N1CCc2ccccc21 ZINC000179478816 609786634 /nfs/dbraw/zinc/78/66/34/609786634.db2.gz VPKSFLRYUWMAAA-HOCLYGCPSA-N 0 0 333.432 0.247 10 0 ECAERN COC(=O)c1cn(CN2CCO[C@@H](Cn3nc(C)cc3C)C2)nn1 ZINC000152867138 609884608 /nfs/dbraw/zinc/88/46/08/609884608.db2.gz GSVCCNDPVNXCNH-CYBMUJFWSA-N 0 0 334.380 0.237 10 0 ECAERN O=C(c1cc(N2CCOCC2)ccn1)N1CC[C@H](n2ccnn2)C1 ZINC000911825679 609913941 /nfs/dbraw/zinc/91/39/41/609913941.db2.gz YLXWYZCMZZRFDX-AWEZNQCLSA-N 0 0 328.376 0.597 10 0 ECAERN CN1C(=O)CN(CN2CCCC[C@@H]2c2nnc3n2CCCC3)C1=O ZINC000182275912 610280355 /nfs/dbraw/zinc/28/03/55/610280355.db2.gz PZGDNZXLKSSIBF-GFCCVEGCSA-N 0 0 332.408 0.993 10 0 ECAERN O=C([C@@H]1CC(=O)N(c2cn[nH]c2)C1)N1CCC(Cc2ncc[nH]2)CC1 ZINC000329162842 740442300 /nfs/dbraw/zinc/44/23/00/740442300.db2.gz GEQXKJZUIYEYFS-CYBMUJFWSA-N 0 0 342.403 0.967 10 0 ECAERN O=C1[C@H](N2CCOC[C@@H]2[C@H]2CCC[C@H]2O)CCN1C1CCOCC1 ZINC000328946197 752975280 /nfs/dbraw/zinc/97/52/80/752975280.db2.gz GKRXOPHKEURNTE-QBPKDAKJSA-N 0 0 338.448 0.628 10 0 ECAERN CN(c1ccc(C(=O)NC(C(N)=O)C(N)=O)cc1)C1CCCCC1 ZINC000051342130 214090116 /nfs/dbraw/zinc/09/01/16/214090116.db2.gz JSUUSAHFWYEZGZ-UHFFFAOYSA-N 0 0 332.404 0.525 10 0 ECAERN C[C@@H](C(=O)N[C@@H]1CCc2ncnn2C1)n1nnc(-c2ccccc2)n1 ZINC000173373211 230930112 /nfs/dbraw/zinc/93/01/12/230930112.db2.gz GZMXSGZXPZCWHH-WCQYABFASA-N 0 0 338.375 0.624 10 0 ECAERN O=C(NCCNC(=O)N1CCC[C@H](n2cncn2)C1)c1ccco1 ZINC000173691475 231007723 /nfs/dbraw/zinc/00/77/23/231007723.db2.gz ZISXXQNBOKBBKH-LBPRGKRZSA-N 0 0 332.364 0.648 10 0 ECAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)N1CCN(c2cnccn2)CC1 ZINC000175889268 231530744 /nfs/dbraw/zinc/53/07/44/231530744.db2.gz RFQNJERKWZHJOC-CYBMUJFWSA-N 0 0 342.407 0.743 10 0 ECAERN CN1CCO[C@H](CNC(=O)CCCc2ccc3c(c2)CC(=O)N3)C1 ZINC000171481171 529788949 /nfs/dbraw/zinc/78/89/49/529788949.db2.gz RVLMXYOOTSKOJV-OAHLLOKOSA-N 0 0 331.416 0.951 10 0 ECAERN CC(=O)c1cccc(N2C(=O)C[C@H](SC[C@H]([NH3+])C(=O)[O-])C2=O)c1 ZINC000100856268 219109489 /nfs/dbraw/zinc/10/94/89/219109489.db2.gz LPADVXCIBPTWGM-RYUDHWBXSA-N 0 0 336.369 0.666 10 0 ECAERN CC(=O)N[C@@H]1[C@@H](Oc2ccc3ccccc3c2)O[C@@H](CO)[C@@H](O)[C@H]1O ZINC000004103787 210120695 /nfs/dbraw/zinc/12/06/95/210120695.db2.gz QKMSGRRTZKSWCS-JCECYMMASA-N 0 0 347.367 0.162 10 0 ECAERN Cc1nc(C[C@@H]2CCCN(C(=O)NCCN3CCOCC3)C2)no1 ZINC000103246683 219274580 /nfs/dbraw/zinc/27/45/80/219274580.db2.gz AXEMICRFPMOPJA-AWEZNQCLSA-N 0 0 337.424 0.674 10 0 ECAERN CCc1ncc2c(n1)CN(c1cncc(C(=O)N3CCOCC3)n1)C2 ZINC000067909459 215249023 /nfs/dbraw/zinc/24/90/23/215249023.db2.gz ITZVGKRDICMTEW-UHFFFAOYSA-N 0 0 340.387 0.822 10 0 ECAERN COC[C@@H](C)n1c(C)cc(C(=O)CN2CCOC[C@@H]2C(N)=O)c1C ZINC000179740706 233385659 /nfs/dbraw/zinc/38/56/59/233385659.db2.gz NYUUQCOLYRHHJH-IUODEOHRSA-N 0 0 337.420 0.681 10 0 ECAERN C[C@H](CNC(=O)C(=O)NCCCc1ccccc1)N1CCOCC1 ZINC000104033256 219340902 /nfs/dbraw/zinc/34/09/02/219340902.db2.gz KKCFNQSTXFLRQX-OAHLLOKOSA-N 0 0 333.432 0.572 10 0 ECAERN O=C(N[C@H](Cc1ccccc1)CN1CCOCC1)[C@@H]1CNC(=O)C1 ZINC000111124115 295836457 /nfs/dbraw/zinc/83/64/57/295836457.db2.gz HEZMXAOOGCNMOX-JKSUJKDBSA-N 0 0 331.416 0.182 10 0 ECAERN Cn1ncnc1NC(=O)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000181252952 234131511 /nfs/dbraw/zinc/13/15/11/234131511.db2.gz CUMLUCMINDEAHO-CQSZACIVSA-N 0 0 330.392 0.698 10 0 ECAERN Cc1nccn1C[C@@H]1CCCN1C(=O)NCCNC(=O)c1ccn[nH]1 ZINC000181702039 234292775 /nfs/dbraw/zinc/29/27/75/234292775.db2.gz LMEZKGVTPVPXFS-ZDUSSCGKSA-N 0 0 345.407 0.519 10 0 ECAERN O=C(NCCNC(=O)N1CCC(Cn2cccn2)CC1)c1ccn[nH]1 ZINC000181710071 234295094 /nfs/dbraw/zinc/29/50/94/234295094.db2.gz ICFMUFXFRKWZNK-UHFFFAOYSA-N 0 0 345.407 0.458 10 0 ECAERN CC(=O)N1CCN(C(=O)Cn2c3cc(C)c(C)cc3nc2CO)CC1 ZINC000040308900 213291178 /nfs/dbraw/zinc/29/11/78/213291178.db2.gz NQQGOGQNEIKUJX-UHFFFAOYSA-N 0 0 344.415 0.836 10 0 ECAERN Cc1nc(CCCC(=O)NC[C@@H](O)CN2CCOCC2)cs1 ZINC000128158116 222919515 /nfs/dbraw/zinc/91/95/15/222919515.db2.gz YXVACGIUPDERED-CQSZACIVSA-N 0 0 327.450 0.584 10 0 ECAERN CC(=O)NCCNS(=O)(=O)c1ccc(N)cc1Br ZINC000036746254 213116602 /nfs/dbraw/zinc/11/66/02/213116602.db2.gz IZEYHDNGIAMJRO-UHFFFAOYSA-N 0 0 336.211 0.446 10 0 ECAERN COCC(=O)NC1CN(C(=O)NCCCc2nc3ccccc3[nH]2)C1 ZINC000187100916 236118037 /nfs/dbraw/zinc/11/80/37/236118037.db2.gz QGSQJRULBZAVLK-UHFFFAOYSA-N 0 0 345.403 0.652 10 0 ECAERN O=C(NC1CN(C(=O)NCC[S@](=O)Cc2ccccc2)C1)C1CC1 ZINC000187150529 236131157 /nfs/dbraw/zinc/13/11/57/236131157.db2.gz UVWNWUMEUQGSIB-DEOSSOPVSA-N 0 0 349.456 0.855 10 0 ECAERN Nc1ncnc2c1c(-c1ccsc1)cn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC000072106610 216009586 /nfs/dbraw/zinc/00/95/86/216009586.db2.gz MTBJDLSSYZDTQX-SDBHATRESA-N 0 0 348.384 0.354 10 0 ECAERN NC(=O)C[C@H](N)C(=O)Nc1cccc(I)c1 ZINC000037481895 213149773 /nfs/dbraw/zinc/14/97/73/213149773.db2.gz YGLXZAQELCLCQK-QMMMGPOBSA-N 0 0 333.129 0.432 10 0 ECAERN CCOC(=O)c1cc2c(=O)[nH]c(=O)n(Cc3ccco3)c2nc1N ZINC000072417079 216206887 /nfs/dbraw/zinc/20/68/87/216206887.db2.gz OYJUCVBPKBGMBN-UHFFFAOYSA-N 0 0 330.300 0.897 10 0 ECAERN CCc1nc2nnc(-c3ccnc(N4CCOCC4)n3)c(C)n2n1 ZINC000072452442 216240017 /nfs/dbraw/zinc/24/00/17/216240017.db2.gz CDFNHEVSZXGPOM-UHFFFAOYSA-N 0 0 326.364 0.684 10 0 ECAERN COc1cc2[nH]c(=O)n(CCCN3CCCC3=O)c(=O)c2cc1OC ZINC000073658098 216407560 /nfs/dbraw/zinc/40/75/60/216407560.db2.gz CQHBQMCTKWATPL-UHFFFAOYSA-N 0 0 347.371 0.720 10 0 ECAERN CCOC(=O)c1noc2ncn(CC(=O)N3CCCC[C@@H]3C)c(=O)c12 ZINC000021094285 212206480 /nfs/dbraw/zinc/20/64/80/212206480.db2.gz MSSXXGFFDUVMEU-JTQLQIEISA-N 0 0 348.359 0.962 10 0 ECAERN CN(C)S(=O)(=O)N[C@@H](c1ccc2c(c1)CCO2)[C@H]1C[C@@H](O)C1 ZINC000244718733 243066978 /nfs/dbraw/zinc/06/69/78/243066978.db2.gz LQALBSCGAIFRHX-GUTXKFCHSA-N 0 0 326.418 0.830 10 0 ECAERN Cc1nn(CC(=O)N2CCN(C)CC2)c(=O)c2cc3occc3n21 ZINC000020416691 212126853 /nfs/dbraw/zinc/12/68/53/212126853.db2.gz PTXANVAPFPISLR-UHFFFAOYSA-N 0 0 329.360 0.325 10 0 ECAERN CC(=O)NCCNC(=O)[C@@H]1CCC(=O)N(CCc2cccc(F)c2)C1 ZINC000020117796 212103376 /nfs/dbraw/zinc/10/33/76/212103376.db2.gz KSFMBLBUXMLVJZ-OAHLLOKOSA-N 0 0 349.406 0.859 10 0 ECAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)C(=O)Nc3cc(C)on3)CCO2)n1 ZINC000110903140 220077714 /nfs/dbraw/zinc/07/77/14/220077714.db2.gz CJAPUKZUKYIXHX-ZDUSSCGKSA-N 0 0 347.375 0.662 10 0 ECAERN O=C(Cn1c(=O)[nH]c2ccccc21)N1CCO[C@H](Cn2cccn2)C1 ZINC000111088622 220098338 /nfs/dbraw/zinc/09/83/38/220098338.db2.gz NUIJJERNHYXKPQ-ZDUSSCGKSA-N 0 0 341.371 0.454 10 0 ECAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)NCC(=O)NCC(F)(F)F ZINC000087060065 217709348 /nfs/dbraw/zinc/70/93/48/217709348.db2.gz XPBRZUVQPBVLPQ-MRVPVSSYSA-N 0 0 348.329 0.653 10 0 ECAERN NS(=O)(=O)c1nccc(OC2CC2)c1I ZINC000095723111 295291187 /nfs/dbraw/zinc/29/11/87/295291187.db2.gz XGKDNYXQUIRDGA-UHFFFAOYSA-N 0 0 340.142 0.875 10 0 ECAERN COC(=O)CN(C)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(C)cc1 ZINC000012315558 211345090 /nfs/dbraw/zinc/34/50/90/211345090.db2.gz IDIIKSRJGPWQIK-OAHLLOKOSA-N 0 0 347.415 0.317 10 0 ECAERN COCC(=O)N(C)CC(=O)N1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000091760502 218061802 /nfs/dbraw/zinc/06/18/02/218061802.db2.gz LXGNRWLNJPXYSB-SMDDNHRTSA-N 0 0 342.342 0.704 10 0 ECAERN COc1cc([C@H]2NC(=O)[C@H]3COCCN32)c(Br)cc1O ZINC000093885035 218255499 /nfs/dbraw/zinc/25/54/99/218255499.db2.gz KFSGIYSYZRCEIV-SKDRFNHKSA-N 0 0 343.177 0.993 10 0 ECAERN COc1ccc(S(=O)(=O)NC[C@H]2CN(C)CCO2)c(C)c1F ZINC000181670982 533064093 /nfs/dbraw/zinc/06/40/93/533064093.db2.gz DAWIWTCKAXHGLL-NSHDSACASA-N 0 0 332.397 0.752 10 0 ECAERN CCCCC(=O)N1CSC[C@@H]1C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000112646653 220363124 /nfs/dbraw/zinc/36/31/24/220363124.db2.gz GKNHEPWTGWISRJ-VXGBXAGGSA-N 0 0 337.449 0.801 10 0 ECAERN Cc1cc(C)cc(C(=O)NCC(=O)N[C@@H]2CCc3ncnn3C2)c1 ZINC000112725344 220387412 /nfs/dbraw/zinc/38/74/12/220387412.db2.gz XEAAETNPNUGDIM-CQSZACIVSA-N 0 0 327.388 0.756 10 0 ECAERN Cc1ccc(C(=O)NCCC(=O)N[C@H]2CCc3ncnn3C2)c(O)c1 ZINC000112725247 220387778 /nfs/dbraw/zinc/38/77/78/220387778.db2.gz YJAARFIOMBJMPO-LBPRGKRZSA-N 0 0 343.387 0.543 10 0 ECAERN C[C@@H](NC(=O)N[C@@H]1CCc2ncnn2C1)C(=O)Nc1ccccc1 ZINC000112750663 220398432 /nfs/dbraw/zinc/39/84/32/220398432.db2.gz BKNCWBLHSVPPBS-DGCLKSJQSA-N 0 0 328.376 0.919 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1ccc(OCC(N)=O)cc1)CC2 ZINC000114866086 220771003 /nfs/dbraw/zinc/77/10/03/220771003.db2.gz RJXDZRVSKHJVBZ-LBPRGKRZSA-N 0 0 343.387 0.449 10 0 ECAERN CCOCCN1CCN(C(=O)c2ccccc2-n2cnnn2)C[C@H]1C ZINC000117276339 221040988 /nfs/dbraw/zinc/04/09/88/221040988.db2.gz IKGBRKBVCNOUPD-CQSZACIVSA-N 0 0 344.419 0.845 10 0 ECAERN COCCN1CCN(C(=O)Cn2nnc(-c3ccccc3)n2)C[C@H]1C ZINC000117286007 221043131 /nfs/dbraw/zinc/04/31/31/221043131.db2.gz DZSIPBICVMAIQQ-CQSZACIVSA-N 0 0 344.419 0.519 10 0 ECAERN COCCN1CCN(C(=O)CCS(=O)(=O)C2CCCC2)C[C@H]1C ZINC000117289122 221046233 /nfs/dbraw/zinc/04/62/33/221046233.db2.gz DWZOAPYWQHVDAE-CQSZACIVSA-N 0 0 346.493 0.913 10 0 ECAERN COCCN1CCN(C(=O)Cn2cnc3ccccc3c2=O)C[C@H]1C ZINC000117294099 221048108 /nfs/dbraw/zinc/04/81/08/221048108.db2.gz ABMIOLOIAKAXFA-CQSZACIVSA-N 0 0 344.415 0.576 10 0 ECAERN CC[C@H]1CN(C(=O)c2ccnc(-n3cncn3)c2)CCN1CCOC ZINC000117299273 221049110 /nfs/dbraw/zinc/04/91/10/221049110.db2.gz QDCOMLOMNIOUNX-HNNXBMFYSA-N 0 0 344.419 0.845 10 0 ECAERN Cc1cnn(CCNC(=O)[C@@H](C)N2C(=O)NC3(CCCC3)C2=O)c1 ZINC000117811704 221092272 /nfs/dbraw/zinc/09/22/72/221092272.db2.gz WMUSJRFNUGCXGJ-GFCCVEGCSA-N 0 0 333.392 0.561 10 0 ECAERN CN1CCO[C@@H](CNC(=O)C(=O)Nc2ccccc2-n2cccn2)C1 ZINC000118115745 221122238 /nfs/dbraw/zinc/12/22/38/221122238.db2.gz HTIWGHXAUVAEFD-ZDUSSCGKSA-N 0 0 343.387 0.258 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)c2nc3ccccc3c(=O)[nH]2)CC1 ZINC000118751888 221177564 /nfs/dbraw/zinc/17/75/64/221177564.db2.gz IIRFUBGPSCQFFR-GFCCVEGCSA-N 0 0 330.388 0.452 10 0 ECAERN COc1cc(N2C[C@@H]3C[C@@H](C(=O)NCC4CC4)N(C)[C@@H]3C2)ncn1 ZINC000248029358 257668056 /nfs/dbraw/zinc/66/80/56/257668056.db2.gz KNNRDJOHPBTYGA-MELADBBJSA-N 0 0 331.420 0.520 10 0 ECAERN CN(C)S(=O)(=O)N1CCO[C@H]2[C@H]1CC[C@@H]2Oc1cccnc1 ZINC000247937580 257672927 /nfs/dbraw/zinc/67/29/27/257672927.db2.gz HKTOHRXVLKHQSE-RDBSUJKOSA-N 0 0 327.406 0.499 10 0 ECAERN Cc1cnc(N2C[C@@H]3CCN(S(=O)(=O)N(C)C)C[C@@H]3C2)nc1 ZINC000247937757 257672943 /nfs/dbraw/zinc/67/29/43/257672943.db2.gz HQKQGSFRNFGOCO-STQMWFEESA-N 0 0 325.438 0.350 10 0 ECAERN Cc1ccc(N2C[C@@H]3OC[C@H](CNS(=O)(=O)C4CC4)[C@@H]3C2)nn1 ZINC000247885847 257675387 /nfs/dbraw/zinc/67/53/87/257675387.db2.gz DHXJUWDUQOBJQS-UBHSHLNASA-N 0 0 338.433 0.318 10 0 ECAERN Cn1nccc1N1CCC[C@@H](NS(=O)(=O)c2ccccn2)C1=O ZINC000328609748 258039840 /nfs/dbraw/zinc/03/98/40/258039840.db2.gz FSHOYAHVQHODKC-LLVKDONJSA-N 0 0 335.389 0.289 10 0 ECAERN CO[C@](C)(C(=O)NC[C@H](O)CN1CCOCC1)c1ccccc1F ZINC000191922149 533323887 /nfs/dbraw/zinc/32/38/87/533323887.db2.gz VWUMADGOZGVMDP-GUYCJALGSA-N 0 0 340.395 0.497 10 0 ECAERN Cc1cc(C)n(C[C@H]2CN(C(=O)C(=O)Nc3ccnn3C)CCO2)n1 ZINC000154557340 296697342 /nfs/dbraw/zinc/69/73/42/296697342.db2.gz CYDSGFCAJQCZDB-CYBMUJFWSA-N 0 0 346.391 0.100 10 0 ECAERN Cc1nnc2n1CCN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2 ZINC000074815977 164596868 /nfs/dbraw/zinc/59/68/68/164596868.db2.gz VYJOXEUPOYXCPP-UHFFFAOYSA-N 0 0 336.373 0.562 10 0 ECAERN Cc1cc(C(=O)NC2CCN(C(=O)[C@@H]3CNC(=O)C3)CC2)c(C)o1 ZINC000171289181 164829586 /nfs/dbraw/zinc/82/95/86/164829586.db2.gz YOIKGNIVMCHHHL-LBPRGKRZSA-N 0 0 333.388 0.753 10 0 ECAERN CSC1(CNC(=O)N[C@@H]2CCc3ncnn3C2)CCOCC1 ZINC000175113366 164879526 /nfs/dbraw/zinc/87/95/26/164879526.db2.gz NGYWIDHJWUPQRN-LLVKDONJSA-N 0 0 325.438 0.804 10 0 ECAERN CCS(=O)(=O)c1ccc(C(=O)N[C@@H](C(=O)NC)C(C)C)cc1 ZINC000178704622 164918941 /nfs/dbraw/zinc/91/89/41/164918941.db2.gz PBMGQLRJDOJUPO-CYBMUJFWSA-N 0 0 326.418 0.981 10 0 ECAERN COCC(=O)NC1CN(C(=O)c2cn(-c3ccc(F)cc3C)nn2)C1 ZINC000185235468 164971183 /nfs/dbraw/zinc/97/11/83/164971183.db2.gz FXEGMGWHQKDVOF-UHFFFAOYSA-N 0 0 347.350 0.302 10 0 ECAERN CCO[C@@H]1C[C@H](NC(=O)NCCCn2ccnn2)C12CCOCC2 ZINC000185936026 164977152 /nfs/dbraw/zinc/97/71/52/164977152.db2.gz RNFRCFIHGDHZLP-UONOGXRCSA-N 0 0 337.424 0.942 10 0 ECAERN C[C@@H]1C(=O)NCCCN1CC(=O)NCCN1CCc2ccccc21 ZINC000189321230 165008052 /nfs/dbraw/zinc/00/80/52/165008052.db2.gz RVAUFFXHQGZJEE-CQSZACIVSA-N 0 0 330.432 0.376 10 0 ECAERN C[C@@H]1C(=O)NCCCN1Cc1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000189278708 165008340 /nfs/dbraw/zinc/00/83/40/165008340.db2.gz VHIUSBVSFZZVDX-GFCCVEGCSA-N 0 0 341.433 0.775 10 0 ECAERN O=C(CCc1nc(-c2ccco2)no1)N1CC(NC(=O)C2CC2)C1 ZINC000189451087 165009269 /nfs/dbraw/zinc/00/92/69/165009269.db2.gz LTGKQFURDNOBSB-UHFFFAOYSA-N 0 0 330.344 0.999 10 0 ECAERN O=C(CCc1nc(-c2ccoc2)no1)N1CC(NC(=O)C2CC2)C1 ZINC000189505181 165010980 /nfs/dbraw/zinc/01/09/80/165010980.db2.gz CYQGHVPMCNEUAT-UHFFFAOYSA-N 0 0 330.344 0.999 10 0 ECAERN CCCN1CCCN(C(=O)NC[C@@H](C)N2CCOCC2)CC1=O ZINC000190123109 165018178 /nfs/dbraw/zinc/01/81/78/165018178.db2.gz HIBFMDWRQCPXDG-CQSZACIVSA-N 0 0 326.441 0.361 10 0 ECAERN C[C@H]1C(=O)NCCCN1C(=O)C(=O)Nc1cccc2cccnc21 ZINC000190668447 165024397 /nfs/dbraw/zinc/02/43/97/165024397.db2.gz QQHVTDBUSCPTLQ-NSHDSACASA-N 0 0 326.356 0.910 10 0 ECAERN C[C@@H]1C(=O)NCCCN1C(=O)C(=O)Nc1cc(C2CCCC2)nn1C ZINC000190680820 165024752 /nfs/dbraw/zinc/02/47/52/165024752.db2.gz VKSQKDHGYYCICN-LLVKDONJSA-N 0 0 347.419 0.753 10 0 ECAERN CCCNC(=O)CCNC(=O)N1CCO[C@H](c2cnn(CC)c2)C1 ZINC000191480127 165032802 /nfs/dbraw/zinc/03/28/02/165032802.db2.gz BMUDBSDCOJENLE-AWEZNQCLSA-N 0 0 337.424 0.902 10 0 ECAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CCO[C@H](Cc2ccccc2)C1 ZINC000193764524 165059652 /nfs/dbraw/zinc/05/96/52/165059652.db2.gz DOHZEKMQAUWHLD-BRWVUGGUSA-N 0 0 332.400 0.438 10 0 ECAERN Cc1c(NC(=O)C(=O)N2CCCNC(=O)[C@@H]2C)cnn1C1CCCC1 ZINC000194402211 165066693 /nfs/dbraw/zinc/06/66/93/165066693.db2.gz BGMHFJCFGURJFO-LBPRGKRZSA-N 0 0 347.419 0.982 10 0 ECAERN O=C([C@H]1CNC(=O)C1)N1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000194828741 165071966 /nfs/dbraw/zinc/07/19/66/165071966.db2.gz GXCJHIFKQYQJHL-OAHLLOKOSA-N 0 0 341.411 0.950 10 0 ECAERN Cc1nc(C[C@H]2CCCN(CC(=O)NCC(=O)N3CCCC3)C2)no1 ZINC000195518103 165084130 /nfs/dbraw/zinc/08/41/30/165084130.db2.gz ZEZIWIGOFVREGS-CQSZACIVSA-N 0 0 349.435 0.371 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)N[C@@H](C)CO[C@H]1CCOC1)CC2 ZINC000246123871 165123670 /nfs/dbraw/zinc/12/36/70/165123670.db2.gz AIVINILDOCTREE-XQQFMLRXSA-N 0 0 337.424 0.649 10 0 ECAERN COCc1nc2n(n1)C[C@H](NC(=O)NC[C@@H]1CCCC[C@H]1O)CC2 ZINC000246500623 165138136 /nfs/dbraw/zinc/13/81/36/165138136.db2.gz JCRJMSKVZJQHJU-YNEHKIRRSA-N 0 0 337.424 0.590 10 0 ECAERN CCOCCN1CCN([C@H]2CCCN(c3cnn(C)c3)C2=O)C[C@@H]1C ZINC000246754688 165143303 /nfs/dbraw/zinc/14/33/03/165143303.db2.gz NLZUBXVIPWNBCY-RDJZCZTQSA-N 0 0 349.479 0.958 10 0 ECAERN NC(=O)[C@@H]1COCCN1C[C@@H](O)Cc1ccccc1C(F)(F)F ZINC000246807704 165143374 /nfs/dbraw/zinc/14/33/74/165143374.db2.gz QYQNBLXYQXRKTO-AAEUAGOBSA-N 0 0 332.322 0.795 10 0 ECAERN CCOCCN1CCN([C@@H](C)C(=O)NC(=O)NCC(C)C)C[C@H]1C ZINC000247075366 165153173 /nfs/dbraw/zinc/15/31/73/165153173.db2.gz GRIUESZMOSPIDY-CABCVRRESA-N 0 0 342.484 0.899 10 0 ECAERN COCCN1CCN(C(=O)N[C@H](C)[C@H](C)N2CCOCC2)C[C@H]1C ZINC000247131939 165153330 /nfs/dbraw/zinc/15/33/30/165153330.db2.gz ONJGPNNGUUOYSY-OAGGEKHMSA-N 0 0 342.484 0.458 10 0 ECAERN COCCCNC(=O)[C@@H](C)N1CCO[C@H](Cn2nc(C)cc2C)C1 ZINC000247394257 165160125 /nfs/dbraw/zinc/16/01/25/165160125.db2.gz XOLVFIZBOSWMNG-CVEARBPZSA-N 0 0 338.452 0.742 10 0 ECAERN CC(C)C(=O)NCCCNC(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000248614493 165181187 /nfs/dbraw/zinc/18/11/87/165181187.db2.gz LRNDYZISDQGEQX-KGLIPLIRSA-N 0 0 328.457 0.245 10 0 ECAERN CCn1cc([C@@H]2CN(S(=O)(=O)[C@H]3CCO[C@@H]3C)CCO2)cn1 ZINC000248867665 165188614 /nfs/dbraw/zinc/18/86/14/165188614.db2.gz BCJGUOGCBYQEFL-XBFCOCLRSA-N 0 0 329.422 0.784 10 0 ECAERN Cc1cc(NC(=O)C(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)ccc1C(N)=O ZINC000249187700 165195442 /nfs/dbraw/zinc/19/54/42/165195442.db2.gz ONAIATNWYLVLKT-TZMCWYRMSA-N 0 0 344.415 0.728 10 0 ECAERN C[C@@H]1CN(C(=O)[C@H]2CC(c3cccnc3)=NO2)C[C@H]1N1CCOCC1 ZINC000253352588 165207983 /nfs/dbraw/zinc/20/79/83/165207983.db2.gz OSCZQYDTTPXXLW-KBRIMQKVSA-N 0 0 344.415 0.754 10 0 ECAERN C[C@@H]1CN(C(=O)[C@H]2CC(c3cccnc3)=NO2)C[C@@H]1N1CCOCC1 ZINC000253352589 165208109 /nfs/dbraw/zinc/20/81/09/165208109.db2.gz OSCZQYDTTPXXLW-XOKHGSTOSA-N 0 0 344.415 0.754 10 0 ECAERN [NH3+]C1(C(=O)N[C@H]2CCN(C(=O)CCc3ccccc3)C2)CCOCC1 ZINC000261934912 165265296 /nfs/dbraw/zinc/26/52/96/165265296.db2.gz WRPJZWUTUMTQRY-INIZCTEOSA-N 0 0 345.443 0.844 10 0 ECAERN CCN(CC(=O)NCc1ccc(F)cc1)C(=O)[C@H]1NCCO[C@@H]1C ZINC000261959073 165268844 /nfs/dbraw/zinc/26/88/44/165268844.db2.gz PGNGMHAESXVLRY-WBMJQRKESA-N 0 0 337.395 0.667 10 0 ECAERN COC(=O)c1ncsc1S(=O)(=O)[N-]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261996607 165275047 /nfs/dbraw/zinc/27/50/47/165275047.db2.gz FQKRPWPXDPWLHT-JVHMLUBASA-N 0 0 331.419 0.491 10 0 ECAERN Cc1cc(F)ccc1-n1cc([O-])c(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)n1 ZINC000262277477 165320477 /nfs/dbraw/zinc/32/04/77/165320477.db2.gz NMMLHTDXHIUQQP-MFKMUULPSA-N 0 0 334.351 0.336 10 0 ECAERN CN[C@H](C(=O)NCc1ccc(-n2ccnc2C)nc1)c1cnn(C)c1 ZINC000262388520 165342496 /nfs/dbraw/zinc/34/24/96/165342496.db2.gz NXKXPOJUHZLRCC-INIZCTEOSA-N 0 0 339.403 0.886 10 0 ECAERN CCc1nsc(N2CCN(C(=O)[C@H]3NCCO[C@@H]3C)CC2)n1 ZINC000262401929 165346169 /nfs/dbraw/zinc/34/61/69/165346169.db2.gz YROCNYQRFQJNEP-PWSUYJOCSA-N 0 0 325.438 0.126 10 0 ECAERN Cc1nc(C)n(C[C@H]2CN(C(=O)[C@H]3CC(F)(F)CN3)CCO2)n1 ZINC000262734041 165379200 /nfs/dbraw/zinc/37/92/00/165379200.db2.gz BXWVZFUAXZLKIM-VXGBXAGGSA-N 0 0 329.351 0.120 10 0 ECAERN Cc1sc(=O)n(CCC(=O)N2C[C@@H](C)O[C@H](C(N)=O)C2)c1C ZINC000157452789 224828642 /nfs/dbraw/zinc/82/86/42/224828642.db2.gz YOKCNXWEPADFLW-KCJUWKMLSA-N 0 0 327.406 0.018 10 0 ECAERN Cc1nc(C2(NCC(=O)N3CCC[C@@H](C(N)=O)C3)CCCC2)no1 ZINC000161573333 225654121 /nfs/dbraw/zinc/65/41/21/225654121.db2.gz IIOXJOHHHCVPCH-GFCCVEGCSA-N 0 0 335.408 0.461 10 0 ECAERN CN(C(=O)N[C@H]1CCN(C)C1=O)[C@H]1CCCN(c2cccnn2)C1 ZINC000163854307 226023858 /nfs/dbraw/zinc/02/38/58/226023858.db2.gz YVFNROIWXUPLGJ-STQMWFEESA-N 0 0 332.408 0.318 10 0 ECAERN CCN1C[C@@H](C(=O)N(C)[C@H]2CCCN(c3cccnn3)C2)CC1=O ZINC000122535178 222107299 /nfs/dbraw/zinc/10/72/99/222107299.db2.gz NLFIBRLSYRBFAV-KBPBESRZSA-N 0 0 331.420 0.772 10 0 ECAERN CN(C1CCCCC1)S(=O)(=O)NC[C@@H]1CN(C2CC2)CCO1 ZINC000123645345 222310468 /nfs/dbraw/zinc/31/04/68/222310468.db2.gz YNXQVPOJYUOMQN-OAHLLOKOSA-N 0 0 331.482 0.949 10 0 ECAERN CCn1cc(C2CCN(C(=O)CN3C(=O)CN(C)C3=O)CC2)cn1 ZINC000123918508 222351516 /nfs/dbraw/zinc/35/15/16/222351516.db2.gz JBOUKZVLLDPNMO-UHFFFAOYSA-N 0 0 333.392 0.503 10 0 ECAERN Cc1nc(-c2cccc(C(=O)N3C[C@H]4OCCN(C)[C@@H]4C3)c2)n[nH]1 ZINC000124112033 222377736 /nfs/dbraw/zinc/37/77/36/222377736.db2.gz GUGNUQFCDHISMS-HUUCEWRRSA-N 0 0 327.388 0.935 10 0 ECAERN NC(=O)c1ccccc1NC(=O)CN1CCC[C@H](n2cncn2)C1 ZINC000171701727 227228726 /nfs/dbraw/zinc/22/87/26/227228726.db2.gz XZEHWVCUCMQMIW-LBPRGKRZSA-N 0 0 328.376 0.653 10 0 ECAERN Cc1cnn(C[C@H]2CN(C(=O)CNC(=O)c3ccccn3)CCO2)c1 ZINC000172547840 227756942 /nfs/dbraw/zinc/75/69/42/227756942.db2.gz HDTNGIZXZDKPPD-CQSZACIVSA-N 0 0 343.387 0.244 10 0 ECAERN COc1ccccc1[C@H](O)CNC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000172602289 227792105 /nfs/dbraw/zinc/79/21/05/227792105.db2.gz JXGNTCBSCKVDIY-DGCLKSJQSA-N 0 0 331.376 0.634 10 0 ECAERN CCOCCN1CCN(C(=O)C(=O)Nc2nocc2C)C[C@H]1CC ZINC000119134462 263146104 /nfs/dbraw/zinc/14/61/04/263146104.db2.gz RFYXIUVGJZAFDE-CYBMUJFWSA-N 0 0 338.408 0.881 10 0 ECAERN CCN(CC)C(=O)[C@@H]1CCCN1C(=O)NCCCN1CCOCC1 ZINC000173271690 263148314 /nfs/dbraw/zinc/14/83/14/263148314.db2.gz YKGQUOUTEFJBKD-HNNXBMFYSA-N 0 0 340.468 0.751 10 0 ECAERN CCCN(CCO)C(=O)NC[C@H]1CCCN1c1cc(NC)ncn1 ZINC000173420141 263148623 /nfs/dbraw/zinc/14/86/23/263148623.db2.gz WCFOUCTTZJFWRP-CYBMUJFWSA-N 0 0 336.440 0.901 10 0 ECAERN Cc1cnn(CCNC(=O)CN2CCN(c3ccccn3)CC2)c1 ZINC000173678122 263149001 /nfs/dbraw/zinc/14/90/01/263149001.db2.gz UUZMPOCCHKMLEF-UHFFFAOYSA-N 0 0 328.420 0.525 10 0 ECAERN Cc1nc2cc(NC(=O)C(=O)N3CCO[C@H](C[NH+](C)C)C3)ccc2o1 ZINC000179845420 263156360 /nfs/dbraw/zinc/15/63/60/263156360.db2.gz NVKMTCDWQBPMBA-CYBMUJFWSA-N 0 0 346.387 0.864 10 0 ECAERN Cn1cnn(CN2C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)[C@H]3C2)c1=O ZINC000184804710 263158872 /nfs/dbraw/zinc/15/88/72/263158872.db2.gz MZIJUHHVVZEHBA-AVGNSLFASA-N 0 0 337.424 0.774 10 0 ECAERN CC(=O)NC1CN(C(=O)CCCNC(=O)c2ccc(F)cc2F)C1 ZINC000190521645 263164076 /nfs/dbraw/zinc/16/40/76/263164076.db2.gz QTYIQXDWBUDVJY-UHFFFAOYSA-N 0 0 339.342 0.822 10 0 ECAERN CCCc1nc(C)c(C(=O)NC[C@@H](O)CN2CCOCC2)s1 ZINC000193198290 263166753 /nfs/dbraw/zinc/16/67/53/263166753.db2.gz SHKZTZIJCGMUOP-GFCCVEGCSA-N 0 0 327.450 0.827 10 0 ECAERN C[C@@H]1NC(=O)CC[C@@H]1NS(=O)(=O)c1cncc(Br)c1 ZINC000282523585 264049045 /nfs/dbraw/zinc/04/90/45/264049045.db2.gz LYPFDNZTDABDKU-XVKPBYJWSA-N 0 0 348.222 0.790 10 0 ECAERN CO[C@@H]1C[C@@H](CO)N(Cc2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC000284639149 264237140 /nfs/dbraw/zinc/23/71/40/264237140.db2.gz OMNIDZKRDXDQOZ-UONOGXRCSA-N 0 0 328.434 0.519 10 0 ECAERN O=C(NC[C@@H](O)CN1CCOCC1)c1ccn(-c2ccc(F)cc2)n1 ZINC000121109844 279848356 /nfs/dbraw/zinc/84/83/56/279848356.db2.gz DZJFXYJIBCMQDS-OAHLLOKOSA-N 0 0 348.378 0.434 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)C(=O)Nc2ccccc2N(C)C)CC1 ZINC000189470789 437602940 /nfs/dbraw/zinc/60/29/40/437602940.db2.gz PKOMNDINFFPNGG-CQSZACIVSA-N 0 0 348.447 0.606 10 0 ECAERN CNC(=O)C1CN(C(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccc(F)cc2)C1 ZINC000186194590 290359431 /nfs/dbraw/zinc/35/94/31/290359431.db2.gz PMGZZRMQSRUFEV-ZFWWWQNUSA-N 0 0 333.363 0.550 10 0 ECAERN Cc1ccc(S(=O)(=O)NCCC(=O)N2CC(O)(C3CC3)C2)cc1 ZINC000333041616 297103946 /nfs/dbraw/zinc/10/39/46/297103946.db2.gz OONQXHBGCYMEIE-UHFFFAOYSA-N 0 0 338.429 0.647 10 0 ECAERN Cc1cc(C)n(CC(=O)N[C@H]2CC[C@@H](C(=O)N3CCCC3)C2)c(=O)n1 ZINC000333154534 297114727 /nfs/dbraw/zinc/11/47/27/297114727.db2.gz MFPHUOIWPODRKW-CABCVRRESA-N 0 0 346.431 0.767 10 0 ECAERN Cc1ccc(N2CCC(NC(=O)CN3CCN(C)C(=O)C3)CC2)nc1 ZINC000333323874 297124626 /nfs/dbraw/zinc/12/46/26/297124626.db2.gz LQGJQBSTESJPNA-UHFFFAOYSA-N 0 0 345.447 0.249 10 0 ECAERN C[C@@H]1CN(C(=O)Cn2ncc(=O)c3ccccc32)CC[S@](=O)C1 ZINC000333436624 297134022 /nfs/dbraw/zinc/13/40/22/297134022.db2.gz KZEGFJSNRAGKMN-SPSFWMDKSA-N 0 0 333.413 0.624 10 0 ECAERN C[C@@H](C(=O)N(C)CC(=O)N1CCC[C@H](c2nnc[nH]2)C1)n1cccn1 ZINC000333599274 297144386 /nfs/dbraw/zinc/14/43/86/297144386.db2.gz YHBNJZVNZRCWSG-STQMWFEESA-N 0 0 345.407 0.427 10 0 ECAERN CO[C@@H]1COC[C@H]1N1CCN(S(C)(=O)=O)c2ccccc2C1 ZINC000333649218 297146358 /nfs/dbraw/zinc/14/63/58/297146358.db2.gz DRDZDNDLXCVNRR-HUUCEWRRSA-N 0 0 326.418 0.682 10 0 ECAERN CC(=O)Nc1ccc(S(=O)(=O)NC[C@@H]2CN(C)CCO2)cc1 ZINC000074773700 436140011 /nfs/dbraw/zinc/14/00/11/436140011.db2.gz OFCBAUKCPILRJS-CYBMUJFWSA-N 0 0 327.406 0.254 10 0 ECAERN C[C@@H](NC(=O)[C@H](C)NS(C)(=O)=O)c1cccc(-n2ccnc2)c1 ZINC000075262994 436157679 /nfs/dbraw/zinc/15/76/79/436157679.db2.gz JOVFMQVRRPGZFX-NEPJUHHUSA-N 0 0 336.417 0.987 10 0 ECAERN CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCCNC(=O)[C@H]1C ZINC000375462651 301176513 /nfs/dbraw/zinc/17/65/13/301176513.db2.gz QUAQDJPRQQLBGQ-CHWSQXEVSA-N 0 0 345.465 0.318 10 0 ECAERN CC(C)C(=O)N1CCCN(C(=O)NC[C@H](C)N2CCOCC2)CC1 ZINC000076057537 436189043 /nfs/dbraw/zinc/18/90/43/436189043.db2.gz ZJFKTMPJSDFZEI-HNNXBMFYSA-N 0 0 340.468 0.607 10 0 ECAERN C[C@@H]1NC(C(=O)NC[C@@H]2CCCC[C@@H]2O)=NN(c2ccccc2)C1=O ZINC000077155649 436227620 /nfs/dbraw/zinc/22/76/20/436227620.db2.gz DBGIHSQVYLPLMP-YDHLFZDLSA-N 0 0 344.415 0.992 10 0 ECAERN C[C@@H]1COC[C@@H](C)N1CC(=O)N1CCC(C(=O)N2CCCC2)CC1 ZINC000077365051 436233311 /nfs/dbraw/zinc/23/33/11/436233311.db2.gz QKAKMMCHIGVRFF-HUUCEWRRSA-N 0 0 337.464 0.957 10 0 ECAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)Cc1ccc(-n2cnnn2)cc1 ZINC000081579117 436350055 /nfs/dbraw/zinc/35/00/55/436350055.db2.gz SNZWFUQHMVVXRG-CQSZACIVSA-N 0 0 338.375 0.756 10 0 ECAERN C[C@@H](CNC(=O)NCc1ccc([S@@](C)=O)cc1)N1CCOCC1 ZINC000080071930 436312843 /nfs/dbraw/zinc/31/28/43/436312843.db2.gz CCSNBRYOCBQHAD-NPMABZOXSA-N 0 0 339.461 0.944 10 0 ECAERN O=C1NC(=O)[C@@]2(CCN(S(=O)(=O)c3cccc(Cl)c3)C2)N1 ZINC000084796525 436385972 /nfs/dbraw/zinc/38/59/72/436385972.db2.gz GQDPASKFXQDBDN-LBPRGKRZSA-N 0 0 329.765 0.313 10 0 ECAERN CCCc1cc(NC(=O)NC[C@H](O)CN2CCOCC2)n(C)n1 ZINC000091094937 436440363 /nfs/dbraw/zinc/44/03/63/436440363.db2.gz SOEXILHTCOJCBO-ZDUSSCGKSA-N 0 0 325.413 0.187 10 0 ECAERN C[C@@H]1C[C@@H]1NC(=O)C(=O)Nc1cc(Br)c(=O)n(C)c1 ZINC000091219166 436446513 /nfs/dbraw/zinc/44/65/13/436446513.db2.gz FFAZNNBECIDBTA-MUWHJKNJSA-N 0 0 328.166 0.611 10 0 ECAERN Cc1cc(C)n(Cc2ccc(C(=O)N3CCOC[C@H]3C(N)=O)cc2)n1 ZINC000091785611 436460057 /nfs/dbraw/zinc/46/00/57/436460057.db2.gz UQGYEZGUGGKBOA-INIZCTEOSA-N 0 0 342.399 0.875 10 0 ECAERN CCNC(=O)c1cccc(CNC(=O)NC[C@@H](C)N2CCOCC2)c1 ZINC000049131163 436465008 /nfs/dbraw/zinc/46/50/08/436465008.db2.gz YIXOVUBBKDZETK-CQSZACIVSA-N 0 0 348.447 0.956 10 0 ECAERN CCc1nn(C)c(CC)c1S(=O)(=O)N[C@H]1CCCn2ncnc21 ZINC000097021217 436535818 /nfs/dbraw/zinc/53/58/18/436535818.db2.gz OVPDBXYVFHDFQV-NSHDSACASA-N 0 0 338.437 0.950 10 0 ECAERN CCn1ccc(C(=O)N2CCC(n3c(=O)[nH]c4cncnc43)CC2)n1 ZINC000097940775 436543434 /nfs/dbraw/zinc/54/34/34/436543434.db2.gz HARWBJHEGFQUET-UHFFFAOYSA-N 0 0 341.375 0.813 10 0 ECAERN Cc1csc(N2CCN(C(=O)NC[C@@H]3CN(C)CCO3)CC2)n1 ZINC000104797724 436562867 /nfs/dbraw/zinc/56/28/67/436562867.db2.gz KRSWMJOTDUAPNI-CYBMUJFWSA-N 0 0 339.465 0.614 10 0 ECAERN CN1CCO[C@H](CNC(=O)N2CCN(C(=O)c3ccccc3)CC2)C1 ZINC000105280237 436570866 /nfs/dbraw/zinc/57/08/66/436570866.db2.gz GVBCERYMYMMAGL-MRXNPFEDSA-N 0 0 346.431 0.485 10 0 ECAERN CN(Cc1nc(N)nc(N)n1)C[C@@H](c1cccs1)N1CCOCC1 ZINC000105874500 436582988 /nfs/dbraw/zinc/58/29/88/436582988.db2.gz XXQFCDACHOZOER-NSHDSACASA-N 0 0 349.464 0.603 10 0 ECAERN O=C(CN1CCC[C@H](n2cncn2)C1)N1CC(=O)Nc2ccccc21 ZINC000105898058 436585834 /nfs/dbraw/zinc/58/58/34/436585834.db2.gz YCHMNXAZGXPSTG-ZDUSSCGKSA-N 0 0 340.387 0.900 10 0 ECAERN C[C@@](O)(CN1CCN(C(=O)CN2CCOCC2)CC1)c1ccccc1 ZINC000057924839 436618415 /nfs/dbraw/zinc/61/84/15/436618415.db2.gz XXDHCDJQDKEHNJ-LJQANCHMSA-N 0 0 347.459 0.371 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)N1CCNC(=O)[C@@H]1C(C)C)CC2 ZINC000114976615 436645529 /nfs/dbraw/zinc/64/55/29/436645529.db2.gz SEGKJNGKSYFBHD-RISCZKNCSA-N 0 0 334.424 0.321 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)c2cccc(-n3cncn3)c2)CC1 ZINC000115373252 436646260 /nfs/dbraw/zinc/64/62/60/436646260.db2.gz RTJZHRAJFVBHTE-MRXNPFEDSA-N 0 0 329.404 0.796 10 0 ECAERN CCOCCN1CCN(C(=O)C[C@@H]2CCS(=O)(=O)C2)C[C@H]1CC ZINC000116770948 436651156 /nfs/dbraw/zinc/65/11/56/436651156.db2.gz VTOZSRTZZJCVOQ-LSDHHAIUSA-N 0 0 346.493 0.771 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)C(=O)Nc1ccc(OC)cc1)CC2 ZINC000116765875 436651607 /nfs/dbraw/zinc/65/16/07/436651607.db2.gz MVTBCHZCTJVIKO-GFCCVEGCSA-N 0 0 343.387 0.919 10 0 ECAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)c1ccc(C(N)=O)cn1)CC2 ZINC000136891497 436653598 /nfs/dbraw/zinc/65/35/98/436653598.db2.gz RSDWIUVLGXALIB-LLVKDONJSA-N 0 0 328.376 0.640 10 0 ECAERN CCCC[C@@H](NC(=O)NCC)C(=O)N1CCN(C[C@@H](O)CC)CC1 ZINC000137679828 436660200 /nfs/dbraw/zinc/66/02/00/436660200.db2.gz QGUROXJNHZHJHP-LSDHHAIUSA-N 0 0 342.484 0.779 10 0 ECAERN CCNC(=O)N1CC[C@@H](NC(=O)N2CCC[C@H](n3cncn3)C2)C1 ZINC000120503458 436690219 /nfs/dbraw/zinc/69/02/19/436690219.db2.gz GMQFFDWMSYBEAH-OLZOCXBDSA-N 0 0 335.412 0.428 10 0 ECAERN Cc1cc(NC(=O)CN(C)C(=O)[C@@H](C)NC(=O)c2ccco2)no1 ZINC000198824522 436694845 /nfs/dbraw/zinc/69/48/45/436694845.db2.gz QSBKSFCRGYEVOA-SNVBAGLBSA-N 0 0 334.332 0.791 10 0 ECAERN Cc1cccnc1C(F)(F)C(=O)NC[C@H](O)CN1CCOCC1 ZINC000194178026 436661345 /nfs/dbraw/zinc/66/13/45/436661345.db2.gz AAVJIGBLOLQMSP-LBPRGKRZSA-N 0 0 329.347 0.291 10 0 ECAERN COC(=O)[C@@H](NC[C@@H](O)CN1C(=O)c2ccccc2C1=O)C(C)C ZINC000142565645 436674014 /nfs/dbraw/zinc/67/40/14/436674014.db2.gz GGFQNPHJCLWBCI-RISCZKNCSA-N 0 0 334.372 0.431 10 0 ECAERN O=C(NC[C@@H](O)COc1cccc(Cl)c1Cl)[C@H]1CNC(=O)C1 ZINC000195093513 436678927 /nfs/dbraw/zinc/67/89/27/436678927.db2.gz PXUBLAROTGZTKW-RKDXNWHRSA-N 0 0 347.198 0.985 10 0 ECAERN O=C(NC[C@@H](O)COc1ccc(C(F)(F)F)cc1)[C@@H]1CNC(=O)C1 ZINC000195093367 436679049 /nfs/dbraw/zinc/67/90/49/436679049.db2.gz RPRNAKWYSRSJLT-GXSJLCMTSA-N 0 0 346.305 0.697 10 0 ECAERN CCCCOC[C@H](O)CN1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 ZINC000195198393 436683008 /nfs/dbraw/zinc/68/30/08/436683008.db2.gz FWMHRTBTRREIJV-OAHLLOKOSA-N 0 0 337.420 0.310 10 0 ECAERN CN(C)C(=O)c1ccc(S(=O)(=O)N[C@H]2CCc3ncnn3C2)cc1 ZINC000195251605 436684243 /nfs/dbraw/zinc/68/42/43/436684243.db2.gz ZYLAAAYQTKTLCM-LBPRGKRZSA-N 0 0 349.416 0.273 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)c2ccc(-n3ccnn3)cc2)CC1 ZINC000120319453 436684890 /nfs/dbraw/zinc/68/48/90/436684890.db2.gz SFOXGYQAODJHPF-MRXNPFEDSA-N 0 0 329.404 0.796 10 0 ECAERN CCCC(=O)N[C@@H]1CCC[N@H+](C[C@@H](O)COC[C@H]2CCCO2)C1 ZINC000245199923 436761428 /nfs/dbraw/zinc/76/14/28/436761428.db2.gz QVRCSQUDERWAIU-BZUAXINKSA-N 0 0 328.453 0.924 10 0 ECAERN CCn1cc(C2CCN(C(=O)NCCNS(C)(=O)=O)CC2)cn1 ZINC000155945769 436807208 /nfs/dbraw/zinc/80/72/08/436807208.db2.gz OKIPCLDYVPFRGS-UHFFFAOYSA-N 0 0 343.453 0.341 10 0 ECAERN COc1ccccc1/C(C)=C/C(=O)NC[C@H](O)CN1CCOCC1 ZINC000128077666 436810989 /nfs/dbraw/zinc/81/09/89/436810989.db2.gz JTQYFRCWGDQIPO-GOFCXVBSSA-N 0 0 334.416 0.908 10 0 ECAERN C[C@@H](Oc1ccccc1Cl)C(=O)NC[C@@H](O)CN1CCOCC1 ZINC000128982672 436822590 /nfs/dbraw/zinc/82/25/90/436822590.db2.gz ZKNOOOKPXFQHOO-CHWSQXEVSA-N 0 0 342.823 0.917 10 0 ECAERN Cc1cnn(C[C@H]2CN(C(=O)C(=O)Nc3cc(C)nn3C)CCO2)c1 ZINC000125337865 436769558 /nfs/dbraw/zinc/76/95/58/436769558.db2.gz YMRTXIZPOQWYPV-CYBMUJFWSA-N 0 0 346.391 0.100 10 0 ECAERN CS(=O)(=O)N1CCC[C@H](CN2CCO[C@@H](Cn3cccn3)C2)C1 ZINC000246360566 436776365 /nfs/dbraw/zinc/77/63/65/436776365.db2.gz PZPQZXVKGWAPAR-HUUCEWRRSA-N 0 0 342.465 0.256 10 0 ECAERN CC[C@@H]1CN(C(=O)C(=O)Nc2cnccc2C)CCN1C[C@H](C)O ZINC000246812720 436786401 /nfs/dbraw/zinc/78/64/01/436786401.db2.gz ADYNAWAZJQCXJL-UONOGXRCSA-N 0 0 334.420 0.632 10 0 ECAERN O=C([C@H]1CC[C@@H](C(F)(F)F)NC1=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000246982100 436788044 /nfs/dbraw/zinc/78/80/44/436788044.db2.gz MOZAZNTYXWAIPW-WOPDTQHZSA-N 0 0 349.353 0.377 10 0 ECAERN Cc1cc(NC(=O)C(=O)N2CCN(C[C@H](C)O)[C@@H](C)C2)ccc1F ZINC000247107906 436789526 /nfs/dbraw/zinc/78/95/26/436789526.db2.gz QVOVQHOJQJDTGX-STQMWFEESA-N 0 0 337.395 0.986 10 0 ECAERN NC(=O)[C@@H]1COCCN1S(=O)(=O)c1ccccc1Br ZINC000126604677 436789579 /nfs/dbraw/zinc/78/95/79/436789579.db2.gz OSRXYNXLZBPDSI-VIFPVBQESA-N 0 0 349.206 0.324 10 0 ECAERN NC(=O)COc1ccc(C(=O)N2CCC[C@H](Cn3cncn3)C2)cc1 ZINC000127010625 436795791 /nfs/dbraw/zinc/79/57/91/436795791.db2.gz PERAOASYUJTFPS-ZDUSSCGKSA-N 0 0 343.387 0.695 10 0 ECAERN O=C(NCC1CC1)[C@@H]1C[C@@H](O)CN1C1CN(Cc2cccnc2)C1 ZINC000253395316 436841585 /nfs/dbraw/zinc/84/15/85/436841585.db2.gz AJVFJUDWCCIUJO-SJORKVTESA-N 0 0 330.432 0.227 10 0 ECAERN O=C(Nc1cnn(CC(F)F)c1)C(=O)N1CCN2CCCC[C@@H]2C1 ZINC000158308187 436843043 /nfs/dbraw/zinc/84/30/43/436843043.db2.gz FRRFDAYVQUENHI-GFCCVEGCSA-N 0 0 341.362 0.783 10 0 ECAERN CCc1c(C(=O)N2C[C@@H](C)O[C@H](C(N)=O)C2)cnn1-c1ccccn1 ZINC000157450107 436828274 /nfs/dbraw/zinc/82/82/74/436828274.db2.gz TVZUKYCSYNSQTH-RISCZKNCSA-N 0 0 343.387 0.545 10 0 ECAERN C[C@@H]1CN(C(=O)c2cncc(Br)c2)C[C@@H](C(N)=O)O1 ZINC000157392477 436828666 /nfs/dbraw/zinc/82/86/66/436828666.db2.gz DRTYLFFETOMKCW-XCBNKYQSSA-N 0 0 328.166 0.559 10 0 ECAERN CCn1cc(NC(=O)C(=O)N[C@H]2CCc3nc(C(C)C)nn3C2)cn1 ZINC000129991560 436831753 /nfs/dbraw/zinc/83/17/53/436831753.db2.gz LAWPGSJJFDMSCO-NSHDSACASA-N 0 0 345.407 0.688 10 0 ECAERN CC(C)(C)OC[C@H](O)CN1CCN(c2ncccc2C(N)=O)CC1 ZINC000157996143 436837456 /nfs/dbraw/zinc/83/74/56/436837456.db2.gz YFEORZIOJDORPD-CYBMUJFWSA-N 0 0 336.436 0.479 10 0 ECAERN Cc1nc(C[C@H]2CCCN(C(=O)CNC(=O)c3cccnc3)C2)no1 ZINC000162952188 436915093 /nfs/dbraw/zinc/91/50/93/436915093.db2.gz HEAXCLVNHDWZRC-CYBMUJFWSA-N 0 0 343.387 0.984 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1c(CC)c(CC)n[nH]c1=O)CC2 ZINC000135581836 436918450 /nfs/dbraw/zinc/91/84/50/436918450.db2.gz JLDAJPCMZJTQRD-JTQLQIEISA-N 0 0 344.419 0.793 10 0 ECAERN CNc1cc(N2CCC[C@H]2CNC(=O)c2cc[nH]c(=O)c2)ncn1 ZINC000133696282 436882898 /nfs/dbraw/zinc/88/28/98/436882898.db2.gz LDLROCSUASZPAO-LBPRGKRZSA-N 0 0 328.376 0.605 10 0 ECAERN CSc1cc(C(=O)NC[C@H](O)CN2CCOCC2)ccc1F ZINC000161609634 436894343 /nfs/dbraw/zinc/89/43/43/436894343.db2.gz RZAIDQAIAZOSTL-LBPRGKRZSA-N 0 0 328.409 0.971 10 0 ECAERN CCC(=O)N1CC[C@H](NC(=O)N2CCN(Cc3ccon3)CC2)C1 ZINC000135111474 436910926 /nfs/dbraw/zinc/91/09/26/436910926.db2.gz WQYKNUXZWOIUBE-ZDUSSCGKSA-N 0 0 335.408 0.513 10 0 ECAERN CC1=C[C@@]23C(=O)[C@@H](C=C(CO)[C@@H](O)[C@]2(O)[C@H]1O)[C@@H]1[C@H](C[C@H]3C)C1(C)C ZINC000263590231 436971177 /nfs/dbraw/zinc/97/11/77/436971177.db2.gz VEBVPUXQAPLADL-SXFVCFEFSA-N 0 0 348.439 0.815 10 0 ECAERN C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)[C@H](N)CCS(C)(=O)=O)C1 ZINC000164359607 436930932 /nfs/dbraw/zinc/93/09/32/436930932.db2.gz MTMYELZWDQNYEP-MGPQQGTHSA-N 0 0 347.525 0.621 10 0 ECAERN O=C(Cc1ccccc1)N1CCN(C(=O)[C@H]2CC(F)(F)CN2)CC1 ZINC000262960200 436946554 /nfs/dbraw/zinc/94/65/54/436946554.db2.gz KQWCKEJDBHESKH-CQSZACIVSA-N 0 0 337.370 0.897 10 0 ECAERN C[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)[C@@H]1CC(F)(F)CN1 ZINC000263174552 436954183 /nfs/dbraw/zinc/95/41/83/436954183.db2.gz GCNSCEWJBKLVRP-GWCFXTLKSA-N 0 0 336.342 0.898 10 0 ECAERN C[C@H]1C[C@H]1NC(=O)C(=O)Nc1ccc(C(=O)N2CCN(C)CC2)cc1 ZINC000170821796 436955332 /nfs/dbraw/zinc/95/53/32/436955332.db2.gz UCDSNGACISHLOV-SWLSCSKDSA-N 0 0 344.415 0.537 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)N[C@H]2CC(=O)N(C(C)C)C2)C1 ZINC000263221621 436955427 /nfs/dbraw/zinc/95/54/27/436955427.db2.gz KTXBRQTWEGYONC-CPCZMJQVSA-N 0 0 340.424 0.232 10 0 ECAERN O=C(Cn1c(=O)[nH]c2ccccc21)N1CC[C@H](N2CCOCC2)C1 ZINC000172763570 437029078 /nfs/dbraw/zinc/02/90/78/437029078.db2.gz TYRPYDKEYKMZDD-ZDUSSCGKSA-N 0 0 330.388 0.263 10 0 ECAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)NCCC(=O)N(C)C)C2)n1 ZINC000172123563 436998307 /nfs/dbraw/zinc/99/83/07/436998307.db2.gz QRCODOQSHVVDLU-CQSZACIVSA-N 0 0 336.440 0.795 10 0 ECAERN CCOCCN1CCN(C(=O)Cc2nc3ncccn3n2)C[C@@H]1C ZINC000172218155 437003123 /nfs/dbraw/zinc/00/31/23/437003123.db2.gz GHVFXWISGWAUOG-ZDUSSCGKSA-N 0 0 332.408 0.236 10 0 ECAERN COC(C)(C)C(=O)N1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000172233664 437005384 /nfs/dbraw/zinc/00/53/84/437005384.db2.gz KSZHQAIOABUZEY-OAHLLOKOSA-N 0 0 336.432 0.996 10 0 ECAERN O=C(Nc1ccc2n[nH]cc2c1)C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000174010312 437074017 /nfs/dbraw/zinc/07/40/17/437074017.db2.gz WDCBDHKPLKDXKJ-CQSZACIVSA-N 0 0 343.387 0.435 10 0 ECAERN CCn1nnnc1-c1cccc(NC(=O)NC[C@H]2CN(C)CCO2)c1 ZINC000173440776 437050131 /nfs/dbraw/zinc/05/01/31/437050131.db2.gz LXRQKNDAORTWDU-AWEZNQCLSA-N 0 0 345.407 0.812 10 0 ECAERN O=C(c1coc(Br)c1)N1CC[C@](O)(c2cn[nH]n2)C1 ZINC000284542548 437055974 /nfs/dbraw/zinc/05/59/74/437055974.db2.gz FZRDVUDVNTUHJI-LLVKDONJSA-N 0 0 327.138 0.894 10 0 ECAERN CCc1nnc([C@@H]2CN(C(=O)CN3CCCCCC3=O)CCO2)[nH]1 ZINC000173558836 437056534 /nfs/dbraw/zinc/05/65/34/437056534.db2.gz RWCJIMXJHHSVPF-LBPRGKRZSA-N 0 0 335.408 0.670 10 0 ECAERN CNC(=O)c1ccc(NC(=O)N2CC[C@H](N3CCOCC3)C2)cc1 ZINC000173785514 437063726 /nfs/dbraw/zinc/06/37/26/437063726.db2.gz BRVLTNLVKCIQTI-HNNXBMFYSA-N 0 0 332.404 0.985 10 0 ECAERN O=C(NCCNC(=O)N1CC[C@H](N2CCOCC2)C1)c1ccccc1 ZINC000173773195 437063924 /nfs/dbraw/zinc/06/39/24/437063924.db2.gz BJQUETZEVBZFHP-INIZCTEOSA-N 0 0 346.431 0.533 10 0 ECAERN CNc1cc(N2CCC[C@H]2CNC(=O)NCc2cc[nH]n2)ncn1 ZINC000174053568 437073436 /nfs/dbraw/zinc/07/34/36/437073436.db2.gz HTMKMFUYHJCITP-LBPRGKRZSA-N 0 0 330.396 0.710 10 0 ECAERN CC(C)OCCN1CCN(C(=O)N[C@@H]2CCc3ncnn3C2)CC1 ZINC000174277000 437077632 /nfs/dbraw/zinc/07/76/32/437077632.db2.gz HYZZTMIJRFRWJB-CQSZACIVSA-N 0 0 336.440 0.345 10 0 ECAERN CCOCCN1CCN(c2cc(N3CCC[C@@H]3CO)ncn2)CC1 ZINC000174733785 437087665 /nfs/dbraw/zinc/08/76/65/437087665.db2.gz AGLFMLUVAJIYTM-OAHLLOKOSA-N 0 0 335.452 0.596 10 0 ECAERN Cc1nc(CN2CCCN(S(=O)(=O)CCOC(C)C)CC2)no1 ZINC000175149092 437096512 /nfs/dbraw/zinc/09/65/12/437096512.db2.gz PSUBVOVOIUSHDX-UHFFFAOYSA-N 0 0 346.453 0.641 10 0 ECAERN Cc1cc(N2CCC[C@H](NC(=O)NCCn3cccn3)C2=O)n(C)n1 ZINC000174952842 437093207 /nfs/dbraw/zinc/09/32/07/437093207.db2.gz XJRAEDXJHNNBIM-ZDUSSCGKSA-N 0 0 345.407 0.420 10 0 ECAERN O=C(CNC(=O)Cc1cccc(F)c1)N[C@H]1CCCn2ncnc21 ZINC000175707164 437111927 /nfs/dbraw/zinc/11/19/27/437111927.db2.gz UPQZIGFLWVPMFS-ZDUSSCGKSA-N 0 0 331.351 0.727 10 0 ECAERN COc1ncccc1CNC(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000175661486 437112500 /nfs/dbraw/zinc/11/25/00/437112500.db2.gz CZPMQGDJPWFVIG-DZGCQCFKSA-N 0 0 334.420 0.952 10 0 ECAERN C[NH+](C)[C@H]1CCN(C(=O)Cn2c(=O)c3ccccc3[n-]c2=S)C1 ZINC000175342729 437102951 /nfs/dbraw/zinc/10/29/51/437102951.db2.gz CZXZFLXJTYFVGQ-NSHDSACASA-N 0 0 332.429 0.848 10 0 ECAERN C[C@@H]1CN(C(=O)CCOC2CCOCC2)C[C@@H]1N1CCOCC1 ZINC000175449060 437104875 /nfs/dbraw/zinc/10/48/75/437104875.db2.gz VIFNOYANNWLVHH-ZBFHGGJFSA-N 0 0 326.437 0.751 10 0 ECAERN COc1ccc(C(=O)N2C[C@H](C(N)=O)[C@@H](c3cnn(C)c3)C2)cc1F ZINC000299746745 437110761 /nfs/dbraw/zinc/11/07/61/437110761.db2.gz ZNOJTEKLLYDOJO-OLZOCXBDSA-N 0 0 346.362 0.909 10 0 ECAERN CN1CCN(c2cc(N3CCC(c4cc[nH]n4)CC3)ncn2)CC1=O ZINC000302231433 437143891 /nfs/dbraw/zinc/14/38/91/437143891.db2.gz XSCVCKYKBWAADV-UHFFFAOYSA-N 0 0 341.419 0.862 10 0 ECAERN CN(C[C@@H](c1cccs1)N1CCOCC1)C(=O)CCNC(N)=O ZINC000176528857 437145987 /nfs/dbraw/zinc/14/59/87/437145987.db2.gz MABQYTNADDYACH-LBPRGKRZSA-N 0 0 340.449 0.638 10 0 ECAERN CCNC(=O)c1ccc(NCC2CN(S(=O)(=O)CC)C2)nc1 ZINC000302541329 437146599 /nfs/dbraw/zinc/14/65/99/437146599.db2.gz HUNKKDFUCOELIZ-UHFFFAOYSA-N 0 0 326.422 0.525 10 0 ECAERN CCn1cc(CN2CCCN(C(=O)c3cc(C(N)=O)c[nH]3)CC2)cn1 ZINC000176517226 437147050 /nfs/dbraw/zinc/14/70/50/437147050.db2.gz KUCLOHDMRWJFAJ-UHFFFAOYSA-N 0 0 344.419 0.678 10 0 ECAERN Cn1cc(CN2CCCN(c3ncccc3S(C)(=O)=O)CC2)cn1 ZINC000302760676 437148448 /nfs/dbraw/zinc/14/84/48/437148448.db2.gz XALGPEQRAWZFPQ-UHFFFAOYSA-N 0 0 349.460 0.931 10 0 ECAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)[C@@H](C)CS(C)(=O)=O)C2)n1 ZINC000176853496 437159557 /nfs/dbraw/zinc/15/95/57/437159557.db2.gz PLBGSPQWCYFUHI-SMDDNHRTSA-N 0 0 342.465 0.814 10 0 ECAERN O=C(Nc1ccc2c(c1)CCCO2)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000177629603 437192528 /nfs/dbraw/zinc/19/25/28/437192528.db2.gz ZLMGUEMWBTVCPP-ZDUSSCGKSA-N 0 0 341.371 0.673 10 0 ECAERN CCOCc1cccc(NC(=O)C(=O)N[C@@H]2CCc3ncnn3C2)c1 ZINC000177635196 437194121 /nfs/dbraw/zinc/19/41/21/437194121.db2.gz IMTJELUXRUVIBR-CQSZACIVSA-N 0 0 343.387 0.884 10 0 ECAERN COCCCS(=O)(=O)NCCN1CCCC[C@H]1c1cn[nH]c1 ZINC000177682600 437194595 /nfs/dbraw/zinc/19/45/95/437194595.db2.gz COVILXKZJMLESW-AWEZNQCLSA-N 0 0 330.454 0.893 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)[C@@H]1CC(=O)N(c3cn[nH]c3)C1)CC2 ZINC000178242063 437209842 /nfs/dbraw/zinc/20/98/42/437209842.db2.gz DOBPIPQPTBVUGW-GHMZBOCLSA-N 0 0 343.391 0.048 10 0 ECAERN CNC(=O)[C@H](NC(=O)N[C@H]1CCCN(c2ncccn2)C1)C(C)C ZINC000178424644 437215038 /nfs/dbraw/zinc/21/50/38/437215038.db2.gz RJNZZWJTPXXQAB-QWHCGFSZSA-N 0 0 334.424 0.515 10 0 ECAERN O=C1c2ccccc2C(=O)N1C[C@@H](O)CN1CCOCC12CCC2 ZINC000178487787 437215576 /nfs/dbraw/zinc/21/55/76/437215576.db2.gz DNPXFEQQBLGVGC-ZDUSSCGKSA-N 0 0 330.384 0.898 10 0 ECAERN NC(=O)[C@@]1(O)CCCN(C(=O)c2cccc(Br)c2)C1 ZINC000311883274 437169391 /nfs/dbraw/zinc/16/93/91/437169391.db2.gz WLEIYWBQZQSCCX-CYBMUJFWSA-N 0 0 327.178 0.902 10 0 ECAERN CNC(=O)[C@H](NC(=O)CCn1cnc2c(C)cccc2c1=O)C(C)C ZINC000178701148 437224967 /nfs/dbraw/zinc/22/49/67/437224967.db2.gz GIWUIQXQXDGVDU-OAHLLOKOSA-N 0 0 344.415 0.982 10 0 ECAERN COc1nc(NC[C@H](O)CN2CCOCC2)ncc1Br ZINC000178766867 437228412 /nfs/dbraw/zinc/22/84/12/437228412.db2.gz LDJWLWJUKRXFIN-VIFPVBQESA-N 0 0 347.213 0.353 10 0 ECAERN Cn1nccc1S(=O)(=O)N1C[C@@H](CO)[C@@H](c2ccsc2)C1 ZINC000328610173 437239328 /nfs/dbraw/zinc/23/93/28/437239328.db2.gz GTOMSNUHFHEKQL-NWDGAFQWSA-N 0 0 327.431 0.878 10 0 ECAERN CNC(=O)[C@H](NC(=O)Nc1cccc(-n2nnnc2C)c1)C(C)C ZINC000178915974 437239928 /nfs/dbraw/zinc/23/99/28/437239928.db2.gz NKJIWZJKSJOEGN-CYBMUJFWSA-N 0 0 331.380 0.863 10 0 ECAERN Cc1cccc(OC[C@@H](O)CN2CCO[C@H](c3nncn3C)C2)c1 ZINC000328639469 437243056 /nfs/dbraw/zinc/24/30/56/437243056.db2.gz PNYMDZBFXNLYIS-HOCLYGCPSA-N 0 0 332.404 0.937 10 0 ECAERN CCn1cc([C@@H]2CS(=O)(=O)CCN2C(=O)[C@H]2CC[C@H](C)O2)cn1 ZINC000328638464 437244869 /nfs/dbraw/zinc/24/48/69/437244869.db2.gz WLCIRXKBZCIGRE-FPMFFAJLSA-N 0 0 341.433 0.769 10 0 ECAERN O=C(CN1C[C@H](O)C[C@@H]1CO)Nc1ccc(OC(F)(F)F)cc1 ZINC000179169304 437252214 /nfs/dbraw/zinc/25/22/14/437252214.db2.gz ORMGEYOFMJEYRL-GHMZBOCLSA-N 0 0 334.294 0.951 10 0 ECAERN CNC(=O)[C@H](NC(=O)CCc1c(C)nc2cc(=O)[nH]n2c1C)C(C)C ZINC000179125724 437253918 /nfs/dbraw/zinc/25/39/18/437253918.db2.gz VZQLHNNIERTYKE-MRXNPFEDSA-N 0 0 347.419 0.871 10 0 ECAERN C[C@H]1OCC[C@@H]1NC(=O)[C@H]1CC[C@@H](C(=O)N[C@H]2CCO[C@H]2C)O1 ZINC000332996283 437256773 /nfs/dbraw/zinc/25/67/73/437256773.db2.gz DQFNLHHJWQTLFU-WHCZJHEKSA-N 0 0 326.393 0.121 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)N(C)CCOCCCOC)CC2 ZINC000179668028 437271841 /nfs/dbraw/zinc/27/18/41/437271841.db2.gz HCSXLOWZGJFZDY-CYBMUJFWSA-N 0 0 339.440 0.850 10 0 ECAERN NC(=O)[C@H]1COCCN1S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000179687650 437271888 /nfs/dbraw/zinc/27/18/88/437271888.db2.gz QRCKSNDOYOWTOU-SECBINFHSA-N 0 0 339.200 0.868 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)NCCCN2CCCC2=O)CC1 ZINC000181527502 437321880 /nfs/dbraw/zinc/32/18/80/437321880.db2.gz XXNLOYPAZIOEPF-AWEZNQCLSA-N 0 0 326.441 0.097 10 0 ECAERN C[C@@H]1CN(C(=O)C(=O)Nc2ccc(F)nc2)C[C@H]1N1CCOCC1 ZINC000180254994 437283066 /nfs/dbraw/zinc/28/30/66/437283066.db2.gz GPEGEEQQYVSEGW-DGCLKSJQSA-N 0 0 336.367 0.338 10 0 ECAERN CCOCCN1CCN(C(=O)c2cnc3c(c2)nnn3C)C[C@@H]1CC ZINC000182705298 437359822 /nfs/dbraw/zinc/35/98/22/437359822.db2.gz YTLUDLCNNXEMBM-AWEZNQCLSA-N 0 0 346.435 0.936 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)NCc2cccc(C(=O)NC)c2)CC1 ZINC000184867214 437416124 /nfs/dbraw/zinc/41/61/24/437416124.db2.gz BUFXOCYHTRKDAP-INIZCTEOSA-N 0 0 348.447 0.644 10 0 ECAERN COCC(=O)NC1CN(C[C@H](O)COc2cccc3[nH]ccc32)C1 ZINC000185088159 437425230 /nfs/dbraw/zinc/42/52/30/437425230.db2.gz CPVUTIPDRVWBIR-ZDUSSCGKSA-N 0 0 333.388 0.354 10 0 ECAERN COCC(=O)NC1CN(C[C@H](O)CO[C@H]2CCCc3ccccc32)C1 ZINC000185091629 437425471 /nfs/dbraw/zinc/42/54/71/437425471.db2.gz OFDBHNUAUYPULK-WMZOPIPTSA-N 0 0 348.443 0.888 10 0 ECAERN COc1cc(N2CCN(Cc3nnc(C4CC4)n3C)CC2)ncn1 ZINC000184081120 437395259 /nfs/dbraw/zinc/39/52/59/437395259.db2.gz BBTAHWUXINBOBF-UHFFFAOYSA-N 0 0 329.408 0.813 10 0 ECAERN CN1CCO[C@H](CNC(=O)N2CCN(c3cc(C4CC4)[nH]n3)CC2)C1 ZINC000186566291 437478092 /nfs/dbraw/zinc/47/80/92/437478092.db2.gz AYURWGFOTROYJN-CQSZACIVSA-N 0 0 348.451 0.449 10 0 ECAERN COCC(=O)NC1CN(C(=O)Cc2coc3cc(OC)ccc23)C1 ZINC000185270023 437432345 /nfs/dbraw/zinc/43/23/45/437432345.db2.gz DVDBUPSJXHSCCY-UHFFFAOYSA-N 0 0 332.356 0.957 10 0 ECAERN CNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2c2cnn(C)c2)cn1 ZINC000185358274 437436089 /nfs/dbraw/zinc/43/60/89/437436089.db2.gz OEYSGMPPCSGNLB-CYBMUJFWSA-N 0 0 349.416 0.701 10 0 ECAERN COCC(=O)NC1CN(C(=O)N[C@@H]2[C@@H]3CCc4ccccc4[C@@H]32)C1 ZINC000185693481 437448625 /nfs/dbraw/zinc/44/86/25/437448625.db2.gz ATWAUQRQYHBFAH-HYVNUMGLSA-N 0 0 329.400 0.871 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)N1CCC[C@@]13CCOC3=O)CC2 ZINC000187115266 437492723 /nfs/dbraw/zinc/49/27/23/437492723.db2.gz VZVSXOASCRDDFV-BZNIZROVSA-N 0 0 333.392 0.646 10 0 ECAERN Cn1cc(N2CCC[C@H](NC(=O)N3CC(NC(=O)C4CC4)C3)C2)cn1 ZINC000187284754 437497890 /nfs/dbraw/zinc/49/78/90/437497890.db2.gz LPCIKZFDCYWVPG-ZDUSSCGKSA-N 0 0 346.435 0.309 10 0 ECAERN C[C@@H]1C(=O)NCCCN1C(=O)c1cc(C(N)=O)n(-c2ccccc2)n1 ZINC000188080705 437524221 /nfs/dbraw/zinc/52/42/21/437524221.db2.gz YTIBQIKJUURMNF-LLVKDONJSA-N 0 0 341.371 0.322 10 0 ECAERN O=C(NCc1ccc(F)cc1)C(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000189223591 437588736 /nfs/dbraw/zinc/58/87/36/437588736.db2.gz WDWNFWDUHDVCMV-UHFFFAOYSA-N 0 0 333.363 0.569 10 0 ECAERN C[C@H](NC(=O)NCCn1ccnc1)c1ccc(S(N)(=O)=O)cc1 ZINC000193110439 437703752 /nfs/dbraw/zinc/70/37/52/437703752.db2.gz KDPDMIXELIGUMY-NSHDSACASA-N 0 0 337.405 0.591 10 0 ECAERN CCCCOC[C@@H](O)CN1CCN([C@@H](C)C(=O)NC2CC2)CC1 ZINC000193368222 437709486 /nfs/dbraw/zinc/70/94/86/437709486.db2.gz RJRKPVMLDDTKNQ-HOCLYGCPSA-N 0 0 327.469 0.449 10 0 ECAERN C[C@@H]1C(=O)NCCCN1S(=O)(=O)CCc1ccc2c(c1)CCO2 ZINC000365639544 437944951 /nfs/dbraw/zinc/94/49/51/437944951.db2.gz QWNDXIQRAUVEQF-GFCCVEGCSA-N 0 0 338.429 0.704 10 0 ECAERN COc1c(C)cnc(CN(C)C(=O)[C@H]2C[C@@H](O)CN2C(C)=O)c1C ZINC000366274436 438045631 /nfs/dbraw/zinc/04/56/31/438045631.db2.gz UNIZRWGJBOOOMA-UKRRQHHQSA-N 0 0 335.404 0.647 10 0 ECAERN CN(CC(N)=O)C[C@@H]1CN(C(=O)c2cc3c(cccc3F)[nH]2)CCO1 ZINC000372523642 438093378 /nfs/dbraw/zinc/09/33/78/438093378.db2.gz CEFVQHQREJLSMG-LLVKDONJSA-N 0 0 348.378 0.565 10 0 ECAERN Cn1ccnc1[C@@H]1CN(C(=O)CC(=O)NCC(F)(F)F)CCN1C ZINC000372569791 438101786 /nfs/dbraw/zinc/10/17/86/438101786.db2.gz CJMPQSJWNYLAFU-JTQLQIEISA-N 0 0 347.341 0.304 10 0 ECAERN CN(C)S(=O)(=O)c1ccc(CN2C[C@H]3OCCN(C)[C@@H]3C2)cc1 ZINC000352067985 438377370 /nfs/dbraw/zinc/37/73/70/438377370.db2.gz MNHQPNFENAAKOH-HZPDHXFCSA-N 0 0 339.461 0.452 10 0 ECAERN NC(=O)[C@]1(O)CCCN(C(=O)c2nscc2Br)C1 ZINC000404806823 438468294 /nfs/dbraw/zinc/46/82/94/438468294.db2.gz ZHBHPSFABSDTMU-JTQLQIEISA-N 0 0 334.195 0.358 10 0 ECAERN Cn1cc(S(=O)(=O)N[C@@H]2CC(=O)N(C)[C@H]2c2cccnc2)cn1 ZINC000583616641 439485998 /nfs/dbraw/zinc/48/59/98/439485998.db2.gz UJWZSCJKUGBABP-OCCSQVGLSA-N 0 0 335.389 0.065 10 0 ECAERN CC(=O)N[C@@H]1CC[C@H](C(F)(F)F)N(C(=O)C2=NN(C)C(=O)CC2)C1 ZINC000583621138 439488404 /nfs/dbraw/zinc/48/84/04/439488404.db2.gz AWACBNFRZLJYDI-MWLCHTKSSA-N 0 0 348.325 0.653 10 0 ECAERN Cn1nccc1COCC(=O)N[C@@H]1CC(=O)N(C)[C@H]1c1cccnc1 ZINC000583619543 439488980 /nfs/dbraw/zinc/48/89/80/439488980.db2.gz LOMMSYRWOZTTFA-PBHICJAKSA-N 0 0 343.387 0.420 10 0 ECAERN C[C@@H](C(=O)NCc1ccccc1)N1CCO[C@H](c2nncn2C)C1 ZINC000583623250 439489284 /nfs/dbraw/zinc/48/92/84/439489284.db2.gz QMESZRVUHCBKHF-ZFWWWQNUSA-N 0 0 329.404 0.893 10 0 ECAERN Cc1cccn2c(=O)cc(CN3CCC[C@](O)(c4cn[nH]n4)C3)nc12 ZINC000583617688 439489372 /nfs/dbraw/zinc/48/93/72/439489372.db2.gz FGDKDMNLCWGHGG-QGZVFWFLSA-N 0 0 340.387 0.605 10 0 ECAERN CN(C)S(=O)(=O)N(CCN1CCOCC1)c1ccccc1F ZINC000586234928 439656649 /nfs/dbraw/zinc/65/66/49/439656649.db2.gz LTVREFUCTOFKHR-UHFFFAOYSA-N 0 0 331.413 0.771 10 0 ECAERN CCO[C@@H]1C[C@@H](NS(=O)(=O)c2nncn2C)C12CCOCC2 ZINC000632227162 440126164 /nfs/dbraw/zinc/12/61/64/440126164.db2.gz QLBAMAKYMZSWBU-GHMZBOCLSA-N 0 0 330.410 0.068 10 0 ECAERN CCc1nc(C2(NC(=O)CCNS(C)(=O)=O)CCCC2)no1 ZINC000175799762 320519767 /nfs/dbraw/zinc/51/97/67/320519767.db2.gz SWUGAOVTOSKIEP-UHFFFAOYSA-N 0 0 330.410 0.457 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)NC[C@@H]2CC(=O)N(C3CC3)C2)CC1 ZINC000182159447 320529417 /nfs/dbraw/zinc/52/94/17/320529417.db2.gz NNRCSJQWHBZJHH-ZFWWWQNUSA-N 0 0 338.452 0.095 10 0 ECAERN CCCS(=O)(=O)NC1CCN([C@H]2CCN(C3CC3)C2=O)CC1 ZINC000328646452 320724742 /nfs/dbraw/zinc/72/47/42/320724742.db2.gz HFYPMKULABJNLV-AWEZNQCLSA-N 0 0 329.466 0.544 10 0 ECAERN O=C(Cn1ncc(=O)c2ccccc21)N1CCN2C(=O)CC[C@@H]2C1 ZINC000328953307 320744468 /nfs/dbraw/zinc/74/44/68/320744468.db2.gz IEJQLRDVOOZVQK-GFCCVEGCSA-N 0 0 326.356 0.230 10 0 ECAERN CN(CC(=O)N1CCOCC1)C(=O)c1cccc2c1OCC(=O)N2 ZINC000329113743 320754276 /nfs/dbraw/zinc/75/42/76/320754276.db2.gz SAGPNEHSBAJTCM-UHFFFAOYSA-N 0 0 333.344 0.598 10 0 ECAERN O=S1(=O)CC[C@H]2CN(Cc3nc(CC(F)(F)F)no3)C[C@H]21 ZINC000329192382 320759040 /nfs/dbraw/zinc/75/90/40/320759040.db2.gz RZAIUZFCXIKPTF-JGVFFNPUSA-N 0 0 325.312 0.793 10 0 ECAERN C[C@@H]1CN(S(=O)(=O)NCc2ccnc3ccnn32)C[C@@H](C)O1 ZINC000329237406 320761601 /nfs/dbraw/zinc/76/16/01/320761601.db2.gz KGNUQTMCFASMBZ-GHMZBOCLSA-N 0 0 325.394 0.173 10 0 ECAERN COc1ccc([C@H]2OCC[C@@H]2N2C(=O)N[C@@]3(CCOC3)C2=O)cn1 ZINC000330067487 320802748 /nfs/dbraw/zinc/80/27/48/320802748.db2.gz ULOJAKQAORTRPE-NORZTCDRSA-N 0 0 333.344 0.836 10 0 ECAERN CCN1CN(C(=O)C2(CC(=O)N3CCOCC3)CCCC2)CC1=O ZINC000330161882 320807918 /nfs/dbraw/zinc/80/79/18/320807918.db2.gz UDWANGAQHDBOBR-UHFFFAOYSA-N 0 0 337.420 0.444 10 0 ECAERN CC(C)c1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1cnnn1C ZINC000330171325 320808562 /nfs/dbraw/zinc/80/85/62/320808562.db2.gz XIPULAPGPBNTGN-SECBINFHSA-N 0 0 325.398 0.343 10 0 ECAERN O=C(Cc1cc[nH]n1)N[C@@H]1CC(=O)N(C2CC2)[C@H]1c1cccnc1 ZINC000347859017 321255223 /nfs/dbraw/zinc/25/52/23/321255223.db2.gz MDVXIYHBGFGGCK-PBHICJAKSA-N 0 0 325.372 0.968 10 0 ECAERN Cc1ccc(C)n1-c1nc(CC(=O)N2CCOC[C@H]2C(N)=O)cs1 ZINC000180276256 533721503 /nfs/dbraw/zinc/72/15/03/533721503.db2.gz JAHCEWITCFWKOF-ZDUSSCGKSA-N 0 0 348.428 0.806 10 0 ECAERN Cc1cc(N2CCC[C@H](NC(=O)NCc3ccnn3C)C2=O)n(C)n1 ZINC000174935791 533895680 /nfs/dbraw/zinc/89/56/80/533895680.db2.gz ZVEZEBSECJSJPF-ZDUSSCGKSA-N 0 0 345.407 0.457 10 0 ECAERN C[C@@H]1CN(C(=O)CCc2nc(-c3ccoc3)no2)C[C@@H](C(N)=O)O1 ZINC000157353627 534303601 /nfs/dbraw/zinc/30/36/01/534303601.db2.gz CDYIRCYITLEMJU-KOLCDFICSA-N 0 0 334.332 0.363 10 0 ECAERN O=C(NCCNC(=O)c1ccccc1F)N[C@@H]1CCCn2ncnc21 ZINC000177364871 534354499 /nfs/dbraw/zinc/35/44/99/534354499.db2.gz COSGPKOXDIXWBR-CYBMUJFWSA-N 0 0 346.366 0.981 10 0 ECAERN Cc1ccc2c(c1)[C@H](NC(=O)Cn1ccc(=O)n(C)c1=O)[C@H](C)C2 ZINC000181228507 534442855 /nfs/dbraw/zinc/44/28/55/534442855.db2.gz YOVYTHIKSAFKJW-SJKOYZFVSA-N 0 0 327.384 0.905 10 0 ECAERN Cc1ncc(CN2CCN(C(=O)C(=O)Nc3ccn(C)n3)CC2)s1 ZINC000177600351 534735634 /nfs/dbraw/zinc/73/56/34/534735634.db2.gz PXHATEHRBJRBMB-UHFFFAOYSA-N 0 0 348.432 0.468 10 0 ECAERN CC(=O)N(CCc1ccccc1)CC(=O)NC[C@@H]1CN(C)CCO1 ZINC000129418126 526490597 /nfs/dbraw/zinc/49/05/97/526490597.db2.gz BOANSJGMRPZGBA-QGZVFWFLSA-N 0 0 333.432 0.524 10 0 ECAERN CC(=O)NC1CN(C(=O)C(=O)Nc2cccc(Br)c2)C1 ZINC000191340961 526705293 /nfs/dbraw/zinc/70/52/93/526705293.db2.gz FSZABLGINMGZSK-UHFFFAOYSA-N 0 0 340.177 0.735 10 0 ECAERN CC(=O)NC1CN(C(=O)CNC(=O)c2ccc(C(F)(F)F)cc2)C1 ZINC000191483063 526706949 /nfs/dbraw/zinc/70/69/49/526706949.db2.gz QZILJGRWFVHUKH-UHFFFAOYSA-N 0 0 343.305 0.782 10 0 ECAERN CC(C)(C)c1ccc(S(=O)(=O)N2CCOC[C@H]2C(N)=O)cc1 ZINC000183365293 526786689 /nfs/dbraw/zinc/78/66/89/526786689.db2.gz SYJJULXFIFCPSV-ZDUSSCGKSA-N 0 0 326.418 0.859 10 0 ECAERN CCCCN1CCOC[C@@H]1C(=O)NCCC(=O)NCc1cccnc1 ZINC000184363883 528475030 /nfs/dbraw/zinc/47/50/30/528475030.db2.gz BXXGCLZGKGGLKO-MRXNPFEDSA-N 0 0 348.447 0.705 10 0 ECAERN CC(C)[C@@H](O)CC(=O)N1CCN(CC(=O)NCc2ccccc2)CC1 ZINC000154734010 528614070 /nfs/dbraw/zinc/61/40/70/528614070.db2.gz GSXZHVHFDSUAPF-KRWDZBQOSA-N 0 0 347.459 0.854 10 0 ECAERN CC[C@H](C)[C@@H](NC(=O)CN1CCC[C@H](n2cncn2)C1)C(=O)OC ZINC000171616975 529215497 /nfs/dbraw/zinc/21/54/97/529215497.db2.gz XVHAWHJPGGTRRM-KCQAQPDRSA-N 0 0 337.424 0.619 10 0 ECAERN CC[C@@H](C)NC(=O)CCNC(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000171903191 529358994 /nfs/dbraw/zinc/35/89/94/529358994.db2.gz JSOVFHLVLYVJSM-KGLIPLIRSA-N 0 0 337.424 0.598 10 0 ECAERN CN[C@H](C(=O)N[C@H]1CCN(c2ccc(C)cc2)C1=O)c1cnn(C)c1 ZINC000262534169 536387120 /nfs/dbraw/zinc/38/71/20/536387120.db2.gz MKYZABSHCKCNLC-HOTGVXAUSA-N 0 0 341.415 0.911 10 0 ECAERN COc1ccc(C)cc1S(=O)(=O)N(C)C[C@@H]1CN(C)CCO1 ZINC000074774974 545684891 /nfs/dbraw/zinc/68/48/91/545684891.db2.gz ZOVLYVUBONLFOJ-ZDUSSCGKSA-N 0 0 328.434 0.955 10 0 ECAERN CC(=O)c1cccc(S(=O)(=O)N(C)C[C@H]2CN(C)CCO2)c1 ZINC000074775131 545686190 /nfs/dbraw/zinc/68/61/90/545686190.db2.gz OMIHDVMPSPVQTM-CQSZACIVSA-N 0 0 326.418 0.840 10 0 ECAERN CN1CCO[C@@H](C(=O)N2CCN(Cc3cnn(C(C)(C)C)c3)CC2)C1 ZINC000174862062 545869549 /nfs/dbraw/zinc/86/95/49/545869549.db2.gz DZDDDSOFNASPGN-MRXNPFEDSA-N 0 0 349.479 0.613 10 0 ECAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N(CCc1ccccc1)[C@@H]1CCOC1 ZINC000193477670 545911805 /nfs/dbraw/zinc/91/18/05/545911805.db2.gz BEKJGQJCTPDSCX-KZNAEPCWSA-N 0 0 346.427 0.828 10 0 ECAERN CCn1cc(O[C@@H]2CN(S(=O)(=O)c3cccnc3)C[C@H]2O)cn1 ZINC000625314298 547068133 /nfs/dbraw/zinc/06/81/33/547068133.db2.gz QSTJRGXVPBFXRA-ZIAGYGMSSA-N 0 0 338.389 0.111 10 0 ECAERN CCn1cc(O[C@@H]2CN(S(=O)(=O)c3ccco3)C[C@H]2O)cn1 ZINC000625316407 547069545 /nfs/dbraw/zinc/06/95/45/547069545.db2.gz BFOMMJWNFHWXHJ-VXGBXAGGSA-N 0 0 327.362 0.309 10 0 ECAERN Cn1ncc(Br)c1CN1CCC[C@@](O)(c2cn[nH]n2)C1 ZINC000794010916 578568748 /nfs/dbraw/zinc/56/87/48/578568748.db2.gz VRHKJSMWUAAKCM-LBPRGKRZSA-N 0 0 341.213 0.784 10 0 ECAERN CC(=O)N[C@@H]1CCCN(C(=O)CC[C@H]2CC[C@@H](C3OCCO3)O2)C1 ZINC000895765641 586203483 /nfs/dbraw/zinc/20/34/83/586203483.db2.gz NPUPVBMDHNTYHK-KFWWJZLASA-N 0 0 340.420 0.814 10 0 ECAERN CO[C@H]1CCCCN(CC(=O)N2CCN(C)c3ncccc32)C1=O ZINC000888076030 586245355 /nfs/dbraw/zinc/24/53/55/586245355.db2.gz QQSAERIBICTVSD-AWEZNQCLSA-N 0 0 332.404 0.892 10 0 ECAERN O=C(NC1(Cc2ccc(F)cc2)CC1)c1cn([C@@H]2COC[C@H]2O)nn1 ZINC000888093528 586348437 /nfs/dbraw/zinc/34/84/37/586348437.db2.gz CKRPFJKHFVEYRD-HUUCEWRRSA-N 0 0 346.362 0.855 10 0 ECAERN COc1cc(C)cnc1C(=O)N[C@H]1COC[C@H]1Oc1cnn(C)c1 ZINC000888093753 586348464 /nfs/dbraw/zinc/34/84/64/586348464.db2.gz QTAXUIPPLLTVKP-GXTWGEPZSA-N 0 0 332.360 0.708 10 0 ECAERN COCCn1cc(C(=O)N[C@H]2COC[C@H]2Oc2cnn(C)c2)c(C)n1 ZINC000888093538 586348632 /nfs/dbraw/zinc/34/86/32/586348632.db2.gz DCSLHDDFCYNVIQ-LSDHHAIUSA-N 0 0 349.391 0.148 10 0 ECAERN Cc1noc([C@@H]2COCCN2C2CN(C(=O)c3ccncc3F)C2)n1 ZINC000888094840 586348766 /nfs/dbraw/zinc/34/87/66/586348766.db2.gz DWSCQMZSXCUBOO-AWEZNQCLSA-N 0 0 347.350 0.810 10 0 ECAERN O=C(N[C@H]1COC[C@H]1Oc1cn[nH]c1)c1cc2c(cn1)OCCC2 ZINC000888094712 586348939 /nfs/dbraw/zinc/34/89/39/586348939.db2.gz BBFDHYSPVYUVMQ-DZGCQCFKSA-N 0 0 330.344 0.706 10 0 ECAERN Cc1nocc1C(=O)N[C@@H]1CCCC[C@@H]1Cc1nn(C)c(=O)n1C ZINC000888099119 586350191 /nfs/dbraw/zinc/35/01/91/586350191.db2.gz SWOHZKMUCSUZPS-DGCLKSJQSA-N 0 0 333.392 0.947 10 0 ECAERN CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(S(=O)(=O)c2cnn(C)c2)C1 ZINC000888102872 586350758 /nfs/dbraw/zinc/35/07/58/586350758.db2.gz RXMOWQBEKWPPSY-YPMHNXCESA-N 0 0 339.421 0.911 10 0 ECAERN CN1CCO[C@H](C(=O)N[C@H]2CCCc3c2cnn3C(C)(C)C)C1=O ZINC000900316538 586536581 /nfs/dbraw/zinc/53/65/81/586536581.db2.gz QCSZIASOUUNSMQ-GXTWGEPZSA-N 0 0 334.420 0.989 10 0 ECAERN CC(=O)N(C[C@H]1CCCN1C(=O)CNC(=O)N1CCCC1)C1CC1 ZINC000907570210 586737345 /nfs/dbraw/zinc/73/73/45/586737345.db2.gz INGPQUPXRDVFME-OAHLLOKOSA-N 0 0 336.436 0.794 10 0 ECAERN Cc1[nH]nc(Cl)c1C(=O)N1CCN(c2cncc3ncnn32)CC1 ZINC000907573714 586738472 /nfs/dbraw/zinc/73/84/72/586738472.db2.gz UIGCLBPGGWYIOV-UHFFFAOYSA-N 0 0 346.782 0.772 10 0 ECAERN Cn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2cnn(CC3CC3)c2)cn1 ZINC000869430335 589965282 /nfs/dbraw/zinc/96/52/82/589965282.db2.gz CBGADISVDBKXBM-LSDHHAIUSA-N 0 0 331.376 0.603 10 0 ECAERN CCn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2cc(CO)c(C)o2)cn1 ZINC000864873744 590113614 /nfs/dbraw/zinc/11/36/14/590113614.db2.gz IEWCXCUEVBBUKB-DZGCQCFKSA-N 0 0 335.360 0.873 10 0 ECAERN C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)Nc1ccnn1C ZINC000125614567 590336734 /nfs/dbraw/zinc/33/67/34/590336734.db2.gz LBFYNCFYDCZCAT-VIFPVBQESA-N 0 0 333.373 0.486 10 0 ECAERN Cc1ccc(C[C@@H](C)NC(=O)C[C@@H]2CS(=O)(=O)CCN2)s1 ZINC000126791397 590486080 /nfs/dbraw/zinc/48/60/80/590486080.db2.gz BCGRGGBKPKCSSX-ZYHUDNBSSA-N 0 0 330.475 0.880 10 0 ECAERN O=C(/C=C/SCc1ccco1)NC[C@@H](O)CN1CCOCC1 ZINC000132444646 590642781 /nfs/dbraw/zinc/64/27/81/590642781.db2.gz HLBFDGQPCIGRKE-XOUYHXJHSA-N 0 0 326.418 0.836 10 0 ECAERN CCCn1[nH]ccc1=NC(=O)CN1CCC[C@@H]1[C@@H]1COCC[C@H]1O ZINC000886026726 590787233 /nfs/dbraw/zinc/78/72/33/590787233.db2.gz QYGMWYPZUDDDCS-RRFJBIMHSA-N 0 0 336.436 0.515 10 0 ECAERN Cn1cnnc1C[C@@]1(O)CCCN(c2ccnc3c2cnn3C)C1 ZINC000886065494 590789908 /nfs/dbraw/zinc/78/99/08/590789908.db2.gz HCBAQPSHIFGZGU-INIZCTEOSA-N 0 0 327.392 0.671 10 0 ECAERN CC(=O)NCc1cc(O[C@H]2CCN(C(=O)C3(O)CCC3)C2)ccn1 ZINC000886084857 590792424 /nfs/dbraw/zinc/79/24/24/590792424.db2.gz LXGSMMIHTVEANS-HNNXBMFYSA-N 0 0 333.388 0.612 10 0 ECAERN CC(C)c1n[nH]cc1C(=O)N1CCC[C@](O)(Cc2nncn2C)C1 ZINC000886084760 590792655 /nfs/dbraw/zinc/79/26/55/590792655.db2.gz FULCXWLHASXRRO-INIZCTEOSA-N 0 0 332.408 0.871 10 0 ECAERN COc1ccc(C(=O)N2CCC[C@@](O)(Cc3nncn3C)C2)cn1 ZINC000886095384 590794922 /nfs/dbraw/zinc/79/49/22/590794922.db2.gz UNOIZDMEUULAFH-MRXNPFEDSA-N 0 0 331.376 0.429 10 0 ECAERN C[C@@H](NC(=O)N1CC[C@@H](N2CCOCC2)C1)c1nnnn1C1CC1 ZINC000188872991 611418157 /nfs/dbraw/zinc/41/81/57/611418157.db2.gz KLQUYWDOUKBYNZ-DGCLKSJQSA-N 0 0 335.412 0.185 10 0 ECAERN CNC(=O)C[C@@H]1CS(=O)(=O)CCN1CCSc1ccncc1 ZINC000930799367 611464970 /nfs/dbraw/zinc/46/49/70/611464970.db2.gz FHUJWHGREGTMEE-GFCCVEGCSA-N 0 0 343.474 0.409 10 0 ECAERN COCC(=O)NC1CN(S(=O)(=O)C2=Cc3ccccc3CC2)C1 ZINC000187714467 611478003 /nfs/dbraw/zinc/47/80/03/611478003.db2.gz VDQVGIAZCZZJSL-UHFFFAOYSA-N 0 0 336.413 0.750 10 0 ECAERN C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCCc1ncc[nH]1 ZINC000187635927 608676866 /nfs/dbraw/zinc/67/68/66/608676866.db2.gz GLXDWWJRXWTZFQ-SNVBAGLBSA-N 0 0 347.400 0.196 10 0 ECAERN C[C@@H](OC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)c1cccs1 ZINC000051902028 608847436 /nfs/dbraw/zinc/84/74/36/608847436.db2.gz UEIOKAOKANDSIK-SECBINFHSA-N 0 0 348.384 0.800 10 0 ECAERN CN(C[C@@H]1OCCN(C)[C@H]1c1ccccc1)C(=O)[C@H](O)C(C)(C)O ZINC000908101540 609644100 /nfs/dbraw/zinc/64/41/00/609644100.db2.gz BRQCIGGQGFSFAK-JYJNAYRXSA-N 0 0 336.432 0.649 10 0 ECAERN CN(C)C(=O)[C@@H]1CC[C@H](C(=O)NCc2c3nc[nH]c3ccc2F)O1 ZINC000913416845 609670701 /nfs/dbraw/zinc/67/07/01/609670701.db2.gz NODOUUHFJMGROP-OLZOCXBDSA-N 0 0 334.351 0.954 10 0 ECAERN O=C(CNC(=O)Cc1ccccc1)N[C@@H]1C[C@@H](O)[C@@H]1n1cccn1 ZINC000909154349 609679011 /nfs/dbraw/zinc/67/90/11/609679011.db2.gz KOMHRTAVBRCXFM-CKEIUWERSA-N 0 0 328.372 0.033 10 0 ECAERN CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@@H](O)[C@@H]1n1cccn1 ZINC000909179746 609680774 /nfs/dbraw/zinc/68/07/74/609680774.db2.gz ATSXLEJRHHUNSO-KJWHEZOQSA-N 0 0 345.403 0.668 10 0 ECAERN CN1CCS(=O)(=O)C[C@H]1CC(=O)Nc1cc(O)c(F)cc1F ZINC000909987620 609703893 /nfs/dbraw/zinc/70/38/93/609703893.db2.gz ACEWLKXIESDBGQ-MRVPVSSYSA-N 0 0 334.344 0.728 10 0 ECAERN COCCn1cnc2oc(C)c(C(=O)NC[C@H]3CCCO3)c2c1=O ZINC000222754504 609704414 /nfs/dbraw/zinc/70/44/14/609704414.db2.gz WBNMPEAQJJBJGQ-LLVKDONJSA-N 0 0 335.360 0.853 10 0 ECAERN C[C@@H](O)CNC(=O)c1cc2cc(S(=O)(=O)NC3CC3)ccc2o1 ZINC000222807559 609704652 /nfs/dbraw/zinc/70/46/52/609704652.db2.gz MOEZQRLMGCYIOB-SECBINFHSA-N 0 0 338.385 0.984 10 0 ECAERN Cc1noc(-c2cnc(C)n(CCC(=O)N3CCN(C)CC3)c2=O)n1 ZINC000222853165 609705317 /nfs/dbraw/zinc/70/53/17/609705317.db2.gz VQUKFUCDJFEXDC-UHFFFAOYSA-N 0 0 346.391 0.074 10 0 ECAERN COCCC1(NS(C)(=O)=O)CCN(C(=O)c2cnccn2)CC1 ZINC000169787376 609746216 /nfs/dbraw/zinc/74/62/16/609746216.db2.gz GKHHWBYCUBORAE-UHFFFAOYSA-N 0 0 342.421 0.037 10 0 ECAERN COCCn1cnn(CN2CCO[C@H](Cn3cccn3)C2)c1=S ZINC000152785461 609880054 /nfs/dbraw/zinc/88/00/54/609880054.db2.gz REMYLUIRFUPFFX-ZDUSSCGKSA-N 0 0 338.437 0.615 10 0 ECAERN O=C1[C@@H]2CC=CC[C@@H]2C(=O)N1CN1CCO[C@@H](Cn2cccn2)C1 ZINC000152848811 609883082 /nfs/dbraw/zinc/88/30/82/609883082.db2.gz LVJODLHNLLRREI-KFWWJZLASA-N 0 0 330.388 0.493 10 0 ECAERN CC[C@H](O)[C@@H]1CCCCN1C(=O)c1cn([C@@H]2COC[C@H]2OC)nn1 ZINC000912119968 609933759 /nfs/dbraw/zinc/93/37/59/609933759.db2.gz NDQCHEOFNPCKRM-LJISPDSOSA-N 0 0 338.408 0.630 10 0 ECAERN COC(=O)c1cn(CC(=O)N2CCOC[C@H]2CO)c2ccccc12 ZINC000912426657 609958318 /nfs/dbraw/zinc/95/83/18/609958318.db2.gz DMWYNUFECDASRQ-GFCCVEGCSA-N 0 0 332.356 0.648 10 0 ECAERN CCCCN1C(=O)c2ccc(C(=O)N3CCOC[C@H]3CO)cc2C1=O ZINC000912428084 609958802 /nfs/dbraw/zinc/95/88/02/609958802.db2.gz SMDITCPONFZGHS-CYBMUJFWSA-N 0 0 346.383 0.916 10 0 ECAERN Cc1cc(N2CCCN(S(N)(=O)=O)CC2)nc(-c2cccnc2)n1 ZINC000069808877 610181238 /nfs/dbraw/zinc/18/12/38/610181238.db2.gz CZGGFFQKOMBYDC-UHFFFAOYSA-N 0 0 348.432 0.563 10 0 ECAERN Cc1cc(N2CCN(CC(=O)OCC(C)C)CC2)n2ncnc2n1 ZINC000181450264 610210523 /nfs/dbraw/zinc/21/05/23/610210523.db2.gz BIPUWYAOCPPUCT-UHFFFAOYSA-N 0 0 332.408 0.754 10 0 ECAERN Cc1nccc(N2CCN(CN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)CC2)n1 ZINC000184112401 610502179 /nfs/dbraw/zinc/50/21/79/610502179.db2.gz MKDMWUTWKSEOCT-HUUCEWRRSA-N 0 0 341.415 0.816 10 0 ECAERN C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)OCc1nccn1C ZINC000091108922 611293675 /nfs/dbraw/zinc/29/36/75/611293675.db2.gz REBCJZAFLBIGGS-JTQLQIEISA-N 0 0 341.364 0.969 10 0 ECAERN CC(=O)NC1CN(C(=O)C(=O)Nc2cccc(C(F)(F)F)n2)C1 ZINC000191345929 611983639 /nfs/dbraw/zinc/98/36/39/611983639.db2.gz CTAJSAHIMVFLON-UHFFFAOYSA-N 0 0 330.266 0.386 10 0 ECAERN CC(C)n1ccnc1CS(=O)(=O)CC(=O)N1CCO[C@H](C)C1 ZINC000195519978 612442956 /nfs/dbraw/zinc/44/29/56/612442956.db2.gz JZNPKXNJMANSQL-GFCCVEGCSA-N 0 0 329.422 0.626 10 0 ECAERN Cn1cnc2c(c1=O)CCN(C(=O)[C@@H]1CC(=O)N(C3CCCC3)C1)C2 ZINC000330062574 731647411 /nfs/dbraw/zinc/64/74/11/731647411.db2.gz PIFCYSBZNMHMKB-GFCCVEGCSA-N 0 0 344.415 0.456 10 0 ECAERN O=C1[C@H](N2CCCN(c3cccnn3)CC2)CCN1C1CCOCC1 ZINC000328675504 740276800 /nfs/dbraw/zinc/27/68/00/740276800.db2.gz QVWPVNUZNNLQKH-MRXNPFEDSA-N 0 0 345.447 0.769 10 0 ECAERN Cc1cn([C@@H]2C[C@@H](O)[C@H](CO)O2)c(=O)nc1NC(=O)c1ccccc1 ZINC000098065320 219076979 /nfs/dbraw/zinc/07/69/79/219076979.db2.gz VYJDMDIVDHHLGK-RDBSUJKOSA-N 0 0 345.355 0.445 10 0 ECAERN Cc1nn(C)c(C)c1-c1cc(C(=O)N[C@@H]2CCc3ncnn3C2)[nH]n1 ZINC000112648920 282256987 /nfs/dbraw/zinc/25/69/87/282256987.db2.gz PVSYCPQGPLUNEF-LLVKDONJSA-N 0 0 340.391 0.763 10 0 ECAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)Nc1ccc(C(N)=O)nc1 ZINC000163881867 529749886 /nfs/dbraw/zinc/74/98/86/529749886.db2.gz HUPJUGWYIQBEPX-NSHDSACASA-N 0 0 329.364 0.991 10 0 ECAERN CNC(=O)c1ccc(S(=O)(=O)N[C@H]2CCCn3nc(C)nc32)cc1 ZINC000177006918 529944191 /nfs/dbraw/zinc/94/41/91/529944191.db2.gz NFZZNHOWWHALLH-ZDUSSCGKSA-N 0 0 349.416 0.760 10 0 ECAERN CCCC(=O)N[C@@H]1CCCN(CC(=O)NCC(=O)N2CCCC2)C1 ZINC000101563958 219137224 /nfs/dbraw/zinc/13/72/24/219137224.db2.gz GGPYMSRNONBBLA-CQSZACIVSA-N 0 0 338.452 0.106 10 0 ECAERN CN([C@H]1CCCN(c2cccnn2)C1)S(=O)(=O)C[C@@H]1CCCO1 ZINC000172459852 530033977 /nfs/dbraw/zinc/03/39/77/530033977.db2.gz RPBTZCJQIROABO-KBPBESRZSA-N 0 0 340.449 0.886 10 0 ECAERN Cc1ccc([C@@H](CNC(=O)Cn2cnnn2)N2CCOCC2)s1 ZINC000177970826 232045035 /nfs/dbraw/zinc/04/50/35/232045035.db2.gz SFRMLPLKKBSLGL-GFCCVEGCSA-N 0 0 336.421 0.233 10 0 ECAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NCCCc1cnn(C)c1 ZINC000102622840 219215353 /nfs/dbraw/zinc/21/53/53/219215353.db2.gz WKHUFRSNMUCDBG-AWEZNQCLSA-N 0 0 342.465 0.673 10 0 ECAERN COCCN1CCN(C(=O)C(=O)Nc2cccnc2Cl)C[C@@H]1C ZINC000179724382 233371320 /nfs/dbraw/zinc/37/13/20/233371320.db2.gz TZKZAOPWOHPHCT-NSHDSACASA-N 0 0 340.811 0.853 10 0 ECAERN Cc1nc(CN(C)C[C@H](O)CN2C(=O)c3ccccc3C2=O)no1 ZINC000183691220 235199402 /nfs/dbraw/zinc/19/94/02/235199402.db2.gz VFUXDDKKPAGBQD-NSHDSACASA-N 0 0 330.344 0.467 10 0 ECAERN O=S1(=O)C[C@H](O)[C@H](NCc2cc(F)ccc2Br)C1 ZINC000038039221 213195495 /nfs/dbraw/zinc/19/54/95/213195495.db2.gz OXETWIHWHZKBRP-MNOVXSKESA-N 0 0 338.198 0.836 10 0 ECAERN CNC(=O)C1CN(C(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2ccccc2)C1 ZINC000186128741 283287023 /nfs/dbraw/zinc/28/70/23/283287023.db2.gz NFEVFHRUHWFSFN-GOEBONIOSA-N 0 0 329.400 0.801 10 0 ECAERN COCC(=O)NC1CN(C(=O)NC[C@H]2CCN(c3ccccc3)C2)C1 ZINC000188399218 236539166 /nfs/dbraw/zinc/53/91/66/236539166.db2.gz WTRKVVIXNONZEN-CQSZACIVSA-N 0 0 346.431 0.669 10 0 ECAERN NC(=O)[C@@H]1COCCN1C(=O)Cc1ccc(F)cc1Br ZINC000188435857 236551573 /nfs/dbraw/zinc/55/15/73/236551573.db2.gz AWNOPYGSIPJRCR-NSHDSACASA-N 0 0 345.168 0.843 10 0 ECAERN CCn1cc(NC(=O)C(=O)N2CCO[C@@H](Cn3cc(C)cn3)C2)cn1 ZINC000129642826 223077280 /nfs/dbraw/zinc/07/72/80/223077280.db2.gz XJOKWTOVYULNNH-CQSZACIVSA-N 0 0 346.391 0.274 10 0 ECAERN COCCc1ccccc1NC(=O)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000190876714 238782701 /nfs/dbraw/zinc/78/27/01/238782701.db2.gz UIQJHVWHEJGMDX-ZDUSSCGKSA-N 0 0 343.387 0.537 10 0 ECAERN O=C(c1ccc2c(c1)C(=O)NC2=O)N1CCC[C@@H](Cn2cncn2)C1 ZINC000131983041 223289750 /nfs/dbraw/zinc/28/97/50/223289750.db2.gz XCFIGMIKPLVUEA-LLVKDONJSA-N 0 0 339.355 0.714 10 0 ECAERN CCn1cc([C@@H]2CN(C(=O)[C@H](C)CS(C)(=O)=O)CCO2)cn1 ZINC000191750641 239282653 /nfs/dbraw/zinc/28/26/53/239282653.db2.gz AAQMWYNBQKKYFM-YPMHNXCESA-N 0 0 329.422 0.484 10 0 ECAERN Cc1cc(N2CCC[C@@H](NC(=O)NCCCCCO)C2=O)n(C)n1 ZINC000193084821 240012764 /nfs/dbraw/zinc/01/27/64/240012764.db2.gz UDOHVSYJAQCQIK-CYBMUJFWSA-N 0 0 337.424 0.686 10 0 ECAERN Cc1ccccc1-n1cc(C(=O)NC[C@H](O)CN2CCOCC2)cn1 ZINC000132658757 223352089 /nfs/dbraw/zinc/35/20/89/223352089.db2.gz SNBPIKJRGFBHCV-INIZCTEOSA-N 0 0 344.415 0.604 10 0 ECAERN Cc1cnn(Cc2cc(C(=O)N[C@@H]3CCc4ncnn4C3)no2)c1 ZINC000133933149 223458481 /nfs/dbraw/zinc/45/84/81/223458481.db2.gz NAPOJDSCHHFDIY-LLVKDONJSA-N 0 0 327.348 0.564 10 0 ECAERN C[N@@H+](CC(=O)[O-])C[C@@H]1CN(C(=O)Cc2ccc(F)c(F)c2)CCO1 ZINC000262972360 245276914 /nfs/dbraw/zinc/27/69/14/245276914.db2.gz RZFCCBGMFYKVKR-GFCCVEGCSA-N 0 0 342.342 0.751 10 0 ECAERN CN(CC(=O)N1CCO[C@@H](Cn2cccn2)C1)C(=O)c1cccs1 ZINC000111081503 220097898 /nfs/dbraw/zinc/09/78/98/220097898.db2.gz AHNHGRWVSBHFLY-CYBMUJFWSA-N 0 0 348.428 0.944 10 0 ECAERN CCn1cnnc1C1CCN(S(=O)(=O)N(C)CCOC)CC1 ZINC000111341069 220142696 /nfs/dbraw/zinc/14/26/96/220142696.db2.gz DVTPWYIICUALBC-UHFFFAOYSA-N 0 0 331.442 0.300 10 0 ECAERN O=C(NCCCN1CCOCC1)N1CCO[C@H](c2nccs2)C1 ZINC000111790543 220190451 /nfs/dbraw/zinc/19/04/51/220190451.db2.gz LVDVIDVDAZWDAB-ZDUSSCGKSA-N 0 0 340.449 0.948 10 0 ECAERN CC(=O)NCCNC(=O)N1CCN(Cc2cnc(C)s2)CC1 ZINC000111796678 220191859 /nfs/dbraw/zinc/19/18/59/220191859.db2.gz FIURJDPGGAYXSP-UHFFFAOYSA-N 0 0 325.438 0.415 10 0 ECAERN CS(=O)(=O)NCCC(=O)N1CCCN(c2ccc(F)cc2)CC1 ZINC000091707624 218052358 /nfs/dbraw/zinc/05/23/58/218052358.db2.gz XVAPACZLJNDXHY-UHFFFAOYSA-N 0 0 343.424 0.804 10 0 ECAERN COCC(=O)N(C)CC(=O)N1C[C@H](O)C[C@H]1c1cc(F)ccc1F ZINC000091760505 218061770 /nfs/dbraw/zinc/06/17/70/218061770.db2.gz LXGNRWLNJPXYSB-RISCZKNCSA-N 0 0 342.342 0.704 10 0 ECAERN Cn1ccc2ccc(NC(=O)NC[C@@H](O)CN3CCOCC3)cc21 ZINC000092765514 218166668 /nfs/dbraw/zinc/16/66/68/218166668.db2.gz YEXISMXWPAROJB-OAHLLOKOSA-N 0 0 332.404 0.993 10 0 ECAERN CC(C)NC(=O)N1CCN(C(=O)C(C)C)C[C@]2(CC(=O)N(C)C2)C1 ZINC000096262102 218731768 /nfs/dbraw/zinc/73/17/68/218731768.db2.gz ULIBRGZMHOLBHT-QGZVFWFLSA-N 0 0 338.452 0.753 10 0 ECAERN CCS(=O)(=O)c1ccc(C(=O)N[C@H]2CCc3ncnn3C2)cc1 ZINC000112654710 220365794 /nfs/dbraw/zinc/36/57/94/220365794.db2.gz BIUPARMRHSOZFR-LBPRGKRZSA-N 0 0 334.401 0.817 10 0 ECAERN Cc1ccc(C(=O)NCCC(=O)N[C@@H]2CCc3ncnn3C2)c(O)c1 ZINC000112725246 220386870 /nfs/dbraw/zinc/38/68/70/220386870.db2.gz YJAARFIOMBJMPO-GFCCVEGCSA-N 0 0 343.387 0.543 10 0 ECAERN COc1cccc2c1OC[C@@H](NC(=O)N[C@H]1CCc3ncnn3C1)C2 ZINC000112748618 220397215 /nfs/dbraw/zinc/39/72/15/220397215.db2.gz UNAKPKKYHFJRLA-STQMWFEESA-N 0 0 343.387 0.904 10 0 ECAERN O=C(NC[C@@H](O)CN1CCOCC1)c1ccc(OC(F)F)cc1 ZINC000154130188 224208158 /nfs/dbraw/zinc/20/81/58/224208158.db2.gz GNGNVOYUQLXVPQ-GFCCVEGCSA-N 0 0 330.331 0.711 10 0 ECAERN Cn1nccc1C1CCN(C(=O)CNC(=O)c2cccnc2)CC1 ZINC000154377186 224245622 /nfs/dbraw/zinc/24/56/22/224245622.db2.gz DSBCHUROFKOOQK-UHFFFAOYSA-N 0 0 327.388 0.951 10 0 ECAERN Cn1nccc1C1CCN(C(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)CC1 ZINC000154332614 224239304 /nfs/dbraw/zinc/23/93/04/224239304.db2.gz MGZWAFPXPKOOGT-GXTWGEPZSA-N 0 0 335.408 0.342 10 0 ECAERN CCOCCN1CCN(S(=O)(=O)c2cn(C)c(C)n2)C[C@H]1CC ZINC000116899210 221007961 /nfs/dbraw/zinc/00/79/61/221007961.db2.gz AHFKTVRICQRZPN-CQSZACIVSA-N 0 0 344.481 0.850 10 0 ECAERN Cc1cnn(CCNC(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)c1 ZINC000117814031 221091549 /nfs/dbraw/zinc/09/15/49/221091549.db2.gz RJXDDEHOLUYLLT-UHFFFAOYSA-N 0 0 341.371 0.401 10 0 ECAERN O=C(CCCNC(=O)C1CC1)N[C@H]1CCCN(c2cccnn2)C1 ZINC000118672637 221168075 /nfs/dbraw/zinc/16/80/75/221168075.db2.gz LLLRNSRQRKOMQO-AWEZNQCLSA-N 0 0 331.420 0.868 10 0 ECAERN CCS(=O)(=O)N1CC2(C1)CC[C@H](CNc1ncccn1)CO2 ZINC000253491185 257658711 /nfs/dbraw/zinc/65/87/11/257658711.db2.gz LMDSTTXWNRHGFT-GFCCVEGCSA-N 0 0 326.422 0.719 10 0 ECAERN Cn1cc(N2CC[C@]3(CCCN(C(=O)[C@@H]4CCCO4)C3)C2=O)cn1 ZINC000248162377 257662020 /nfs/dbraw/zinc/66/20/20/257662020.db2.gz YEJQQISRDLWGKU-YOEHRIQHSA-N 0 0 332.404 0.945 10 0 ECAERN COCCNC(=O)Cc1cn2c(n1)[C@H](C)N(c1ncccn1)CC2 ZINC000247817645 257677983 /nfs/dbraw/zinc/67/79/83/257677983.db2.gz BZIBSTGNGKPYII-LBPRGKRZSA-N 0 0 330.392 0.559 10 0 ECAERN CCN(CC)C(=O)CN1C(=O)N[C@@H](Cc2cn(C(C)C)nn2)C1=O ZINC000328612597 258038265 /nfs/dbraw/zinc/03/82/65/258038265.db2.gz PJDHXICYNTYKOC-LBPRGKRZSA-N 0 0 336.396 0.395 10 0 ECAERN O=C(NCc1ccco1)c1noc2ncnc(N3CCOCC3)c21 ZINC000021540269 135724369 /nfs/dbraw/zinc/72/43/69/135724369.db2.gz JAANNPRBFKFBGF-UHFFFAOYSA-N 0 0 329.316 0.977 10 0 ECAERN C[C@H](CNC(=O)N1CCN(Cc2cccnc2)CC1)N1CCOCC1 ZINC000079251877 296624296 /nfs/dbraw/zinc/62/42/96/296624296.db2.gz OFHNYELLFDVCBP-MRXNPFEDSA-N 0 0 347.463 0.630 10 0 ECAERN CCCC[C@H](NC(=O)NCC)C(=O)N1CCC[C@@H](NC(C)=O)C1 ZINC000137324480 296680634 /nfs/dbraw/zinc/68/06/34/296680634.db2.gz LAWOBGWBIWJKSX-KGLIPLIRSA-N 0 0 326.441 0.991 10 0 ECAERN CC(C)[C@H](O)CC(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 ZINC000158361421 296709210 /nfs/dbraw/zinc/70/92/10/296709210.db2.gz QPQLQNSBIAASQC-OAHLLOKOSA-N 0 0 348.447 0.644 10 0 ECAERN CCC[C@H](O)CNC(=O)[C@@H]1CCC[C@@H]1C(=O)NC[C@@H](O)CCC ZINC000245743216 296728815 /nfs/dbraw/zinc/72/88/15/296728815.db2.gz FKCGVUWUBSKRMI-ZQDZILKHSA-N 0 0 328.453 0.957 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)NCCCC(=O)NC1CC1)CC2 ZINC000172310006 164841473 /nfs/dbraw/zinc/84/14/73/164841473.db2.gz VEZAPWLYQOFNCI-LBPRGKRZSA-N 0 0 334.424 0.513 10 0 ECAERN O=C(c1ccc(N2CCNC2=O)cc1)N1CC[C@@H](N2CCOCC2)C1 ZINC000172750929 164847998 /nfs/dbraw/zinc/84/79/98/164847998.db2.gz WWYOQYJXZBWXDA-MRXNPFEDSA-N 0 0 344.415 0.763 10 0 ECAERN COc1c2cnn(C)c2ncc1C(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188530182 164998599 /nfs/dbraw/zinc/99/85/99/164998599.db2.gz NCNOEYSIXIUHLA-UHFFFAOYSA-N 0 0 343.387 0.718 10 0 ECAERN C[C@H]1C(=O)NCCCN1C(=O)c1ccc2c(c1)NC(=O)CCN2C ZINC000188867582 165003144 /nfs/dbraw/zinc/00/31/44/165003144.db2.gz KABZDNWBDPMKFI-NSHDSACASA-N 0 0 330.388 0.816 10 0 ECAERN CCO[C@@H]1C[C@](CO)(NC(=O)N[C@@H]2CCc3ncnn3C2)C1(C)C ZINC000188856256 165003333 /nfs/dbraw/zinc/00/33/33/165003333.db2.gz OHDQILPQPBBFSE-XHBSWPGZSA-N 0 0 337.424 0.458 10 0 ECAERN Cc1sc2ncc(C(=O)N3CCCNC(=O)[C@@H]3C)c(=O)n2c1C ZINC000188930056 165003969 /nfs/dbraw/zinc/00/39/69/165003969.db2.gz KTNCWLUFPPUFFV-VIFPVBQESA-N 0 0 334.401 0.723 10 0 ECAERN Cc1ccc(NC(=O)CN(C)C(=O)CN2CCCNC(=O)[C@H]2C)cc1 ZINC000189305627 165008513 /nfs/dbraw/zinc/00/85/13/165008513.db2.gz SDRNDXBEJSCMAK-CQSZACIVSA-N 0 0 346.431 0.602 10 0 ECAERN C[C@@H](NC(=O)Nc1ccccc1)C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000189418323 165010364 /nfs/dbraw/zinc/01/03/64/165010364.db2.gz LAQHITQGJYQINI-LLVKDONJSA-N 0 0 330.388 0.934 10 0 ECAERN O=C(CCS(=O)(=O)C1CCCC1)N1CC(NC(=O)C2CC2)C1 ZINC000189501468 165011323 /nfs/dbraw/zinc/01/13/23/165011323.db2.gz SOBIRTVACOODEI-UHFFFAOYSA-N 0 0 328.434 0.471 10 0 ECAERN CC(C)[C@H](CNC(=O)N1CC(NC(=O)C2CC2)C1)N1CCOCC1 ZINC000190121927 165017869 /nfs/dbraw/zinc/01/78/69/165017869.db2.gz UAAFDJMUWRBDKJ-HNNXBMFYSA-N 0 0 338.452 0.263 10 0 ECAERN O=C(NC1CN(C(=O)NCCc2nnc3n2CCCCC3)C1)C1CC1 ZINC000190105924 165018199 /nfs/dbraw/zinc/01/81/99/165018199.db2.gz ZRZZUPKAJSDCFA-UHFFFAOYSA-N 0 0 346.435 0.467 10 0 ECAERN CCCN1CCCN(C(=O)N[C@@H]2CCc3nc(CC)nn3C2)CC1=O ZINC000190176007 165019318 /nfs/dbraw/zinc/01/93/18/165019318.db2.gz FOZHODMJINHLBW-CYBMUJFWSA-N 0 0 348.451 0.809 10 0 ECAERN CCN1CN(C(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccc(F)cc2)CC1=O ZINC000190588929 165022638 /nfs/dbraw/zinc/02/26/38/165022638.db2.gz YTVLFTDVGMUTHB-BBRMVZONSA-N 0 0 333.363 0.993 10 0 ECAERN CCc1ccccc1N1C[C@H](C(=O)N2CC(NC(C)=O)C2)CC1=O ZINC000190510290 165022952 /nfs/dbraw/zinc/02/29/52/165022952.db2.gz XWERUJNWKHCVLW-CQSZACIVSA-N 0 0 329.400 0.949 10 0 ECAERN C[C@@H]1C(=O)NCCCN1C(=O)C(=O)Nc1ccc2ncccc2c1 ZINC000190679755 165023415 /nfs/dbraw/zinc/02/34/15/165023415.db2.gz GKDOYEDYZQCDDF-LLVKDONJSA-N 0 0 326.356 0.910 10 0 ECAERN C[C@@H]1C(=O)NCCCN1C(=O)C(=O)Nc1cnn(-c2ccccc2)c1 ZINC000190665148 165023435 /nfs/dbraw/zinc/02/34/35/165023435.db2.gz VGPQRTQKOFQJJI-GFCCVEGCSA-N 0 0 341.371 0.548 10 0 ECAERN C[C@@H]1C(=O)NCCCN1C(=O)C(=O)Nc1cc(F)c(F)cc1F ZINC000190674080 165024202 /nfs/dbraw/zinc/02/42/02/165024202.db2.gz CCJLYBSMNGCIMM-SSDOTTSWSA-N 0 0 329.278 0.779 10 0 ECAERN CCn1ncc2ccc(NC(=O)C(=O)N3CCCNC(=O)[C@@H]3C)cc21 ZINC000190670476 165024573 /nfs/dbraw/zinc/02/45/73/165024573.db2.gz IXGJBNNFDROIIM-NSHDSACASA-N 0 0 343.387 0.732 10 0 ECAERN O=C(COc1ccc(F)cc1F)NC[C@H](O)CN1CCOCC1 ZINC000192707019 165045526 /nfs/dbraw/zinc/04/55/26/165045526.db2.gz FSHNXJBNWVAFRH-LBPRGKRZSA-N 0 0 330.331 0.153 10 0 ECAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCCOc1ccc(F)cc1F ZINC000193178545 165053315 /nfs/dbraw/zinc/05/33/15/165053315.db2.gz JAWDLLRPLLPFMT-DGCLKSJQSA-N 0 0 328.315 0.442 10 0 ECAERN O=C(Nc1ccc(Cl)cn1)C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000193368223 165056018 /nfs/dbraw/zinc/05/60/18/165056018.db2.gz NJLACGYMCXHONU-LBPRGKRZSA-N 0 0 338.795 0.607 10 0 ECAERN CCN1CCO[C@H](C(=O)N(C)[C@H]2CCCN(c3cccnn3)C2)C1 ZINC000245469771 165108107 /nfs/dbraw/zinc/10/81/07/165108107.db2.gz VPNYKGDZOYQAOB-GJZGRUSLSA-N 0 0 333.436 0.625 10 0 ECAERN Cn1c2ncn(CCN3CCO[C@@H]4CCCC[C@H]43)c2c(=O)n(C)c1=O ZINC000245564888 165108881 /nfs/dbraw/zinc/10/88/81/165108881.db2.gz ONDFRUOVXCEYFE-CHWSQXEVSA-N 0 0 347.419 0.077 10 0 ECAERN CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)NC[C@@H]1CN(C)CCO1 ZINC000246034757 165121518 /nfs/dbraw/zinc/12/15/18/165121518.db2.gz PRVMYBIQMRAPMF-HZPDHXFCSA-N 0 0 348.447 0.316 10 0 ECAERN COCCOC[C@H]1CCN(c2cc(N3CCC[C@H]3CO)ncn2)C1 ZINC000246143593 165124925 /nfs/dbraw/zinc/12/49/25/165124925.db2.gz FDICOXYZADRIAA-GJZGRUSLSA-N 0 0 336.436 0.927 10 0 ECAERN CCC(=O)N1CC[C@@H](NC(=O)N2CCN(CCOC)[C@@H](C)C2)C1 ZINC000246299682 165129050 /nfs/dbraw/zinc/12/90/50/165129050.db2.gz XQZFADAYIBEXQT-UONOGXRCSA-N 0 0 326.441 0.359 10 0 ECAERN CN1CCO[C@@H](CNC(=O)N[C@H]2CC(=O)N(c3ccccc3)C2)C1 ZINC000246479502 165136153 /nfs/dbraw/zinc/13/61/53/165136153.db2.gz RLACKCSKGKWCMX-ZFWWWQNUSA-N 0 0 332.404 0.422 10 0 ECAERN CCCCN(C[C@@H](O)CN1CCCC1=O)[C@H]1CCS(=O)(=O)C1 ZINC000246563111 165137788 /nfs/dbraw/zinc/13/77/88/165137788.db2.gz KXUDBBLTWRDTOO-UONOGXRCSA-N 0 0 332.466 0.259 10 0 ECAERN OC[C@@H]1CCCN1c1cc(N2CCC[C@@H](n3cncn3)C2)ncn1 ZINC000246829174 165145932 /nfs/dbraw/zinc/14/59/32/165145932.db2.gz CSBHEKJRNLJNDP-KGLIPLIRSA-N 0 0 329.408 0.871 10 0 ECAERN Cn1cc(CN2CCCN(CC(=O)NC[C@H]3CCCO3)CC2)cn1 ZINC000247031646 165149468 /nfs/dbraw/zinc/14/94/68/165149468.db2.gz DFOYHCFQDAZJFO-MRXNPFEDSA-N 0 0 335.452 0.223 10 0 ECAERN CCOCCN1CCN([C@H](C)C(=O)NC(=O)NC2CC2)C[C@H]1C ZINC000247209668 165155761 /nfs/dbraw/zinc/15/57/61/165155761.db2.gz PPIHSXGBZSEQSK-CHWSQXEVSA-N 0 0 326.441 0.406 10 0 ECAERN CC[C@H](C)[C@H](NC(=O)CN1CCC[C@@H](n2cncn2)C1)C(=O)OC ZINC000247395996 165161367 /nfs/dbraw/zinc/16/13/67/165161367.db2.gz XVHAWHJPGGTRRM-GUTXKFCHSA-N 0 0 337.424 0.619 10 0 ECAERN CNC(=O)[C@H](NC(=O)CN1CCC[C@H](NC(C)=O)C1)c1ccccc1 ZINC000249682864 165201660 /nfs/dbraw/zinc/20/16/60/165201660.db2.gz HDUQGSURMVVONI-DOTOQJQBSA-N 0 0 346.431 0.190 10 0 ECAERN C[NH2+][C@H](C)Cc1noc([C@@H](C)[N-]S(=O)(=O)c2c(C)noc2C)n1 ZINC000261650943 165221697 /nfs/dbraw/zinc/22/16/97/165221697.db2.gz DXEXWIMKTDAICU-VXNVDRBHSA-N 0 0 343.409 0.864 10 0 ECAERN Cc1ccc(CC(=O)N2CCN(C(=O)[C@H]3NCCO[C@@H]3C)CC2)cc1 ZINC000262013154 165276185 /nfs/dbraw/zinc/27/61/85/165276185.db2.gz VSJLJARJWIBRAI-QAPCUYQASA-N 0 0 345.443 0.585 10 0 ECAERN Cc1cc(NC(=O)[C@H]2NCCO[C@@H]2C)ccc1N1C(=O)CCC1=O ZINC000262236961 165314342 /nfs/dbraw/zinc/31/43/42/165314342.db2.gz KQCUZTKBIHIXNN-BZNIZROVSA-N 0 0 331.372 0.964 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)[C@H](C)NC(=O)c2ccco2)C1 ZINC000262757056 165381410 /nfs/dbraw/zinc/38/14/10/165381410.db2.gz ZBKCWGYZXMJOBL-UNXYVOJBSA-N 0 0 337.376 0.452 10 0 ECAERN C[N@@H+](CC(=O)[O-])C[C@H]1CN(C(=O)c2cccc(F)c2F)CCO1 ZINC000262870479 165396885 /nfs/dbraw/zinc/39/68/85/165396885.db2.gz CXCKQRCBYPVFOB-JTQLQIEISA-N 0 0 328.315 0.822 10 0 ECAERN O=C(NC1CN(C(=O)c2cn(Cc3cccs3)nn2)C1)C1CC1 ZINC000189367119 437593079 /nfs/dbraw/zinc/59/30/79/437593079.db2.gz YNGKRBQABHSVSF-UHFFFAOYSA-N 0 0 331.401 0.739 10 0 ECAERN Cn1cc([C@@H]2CCCN2C(=O)NCC(=O)NCC(F)(F)F)cn1 ZINC000171463904 227093637 /nfs/dbraw/zinc/09/36/37/227093637.db2.gz RQOBSWSOYLQMRD-JTQLQIEISA-N 0 0 333.314 0.945 10 0 ECAERN CC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2ccccc2N(C)C)C1 ZINC000121291773 221807810 /nfs/dbraw/zinc/80/78/10/221807810.db2.gz OCNHCNCHWJGLQT-CYBMUJFWSA-N 0 0 332.404 0.818 10 0 ECAERN Cc1noc([C@H](C)N2CCN(C(=O)N[C@@H](C)C(=O)N(C)C)CC2)n1 ZINC000171901642 227350252 /nfs/dbraw/zinc/35/02/52/227350252.db2.gz HFHWZUBRWVCOCC-QWRGUYRKSA-N 0 0 338.412 0.243 10 0 ECAERN CCn1cc(C2CCN(C(=O)NCCS(C)(=O)=O)CC2)cn1 ZINC000172486334 227721826 /nfs/dbraw/zinc/72/18/26/227721826.db2.gz JTZCCSQLAAWKKV-UHFFFAOYSA-N 0 0 328.438 0.837 10 0 ECAERN CC[C@@H](O)CN1CCN(CCS(=O)(=O)c2ccccc2)CC1 ZINC000118857111 263145830 /nfs/dbraw/zinc/14/58/30/263145830.db2.gz PCSJCVCUIKLCQY-OAHLLOKOSA-N 0 0 326.462 0.849 10 0 ECAERN CCc1noc([C@@H](C)N2CCN(S(=O)(=O)N(C)CC)CC2)n1 ZINC000173507482 263148809 /nfs/dbraw/zinc/14/88/09/263148809.db2.gz WNNNODOTNOLROV-LLVKDONJSA-N 0 0 331.442 0.507 10 0 ECAERN CC(=O)NC1CN(C(=O)NCCCNC(=O)c2ccc(F)cc2)C1 ZINC000190065088 263163817 /nfs/dbraw/zinc/16/38/17/263163817.db2.gz QCDQMILDKVOWAD-UHFFFAOYSA-N 0 0 336.367 0.476 10 0 ECAERN C[C@@H]1COCC[C@@H]1C(=O)N1CCN(c2ccc3nncn3n2)CC1 ZINC000192593454 263165873 /nfs/dbraw/zinc/16/58/73/263165873.db2.gz FYYHBDNUFLWHAD-OLZOCXBDSA-N 0 0 330.392 0.446 10 0 ECAERN Cc1nc2ccc(N3CC[C@](O)(c4cn(C(C)C)nn4)C3)nn2n1 ZINC000284559210 264228179 /nfs/dbraw/zinc/22/81/79/264228179.db2.gz ODBIOAJEEYWTON-OAHLLOKOSA-N 0 0 328.380 0.703 10 0 ECAERN CN[C@@H](C(=O)NCCc1ccc(NC(C)=O)cc1)c1cnn(C)c1 ZINC000262596259 277291784 /nfs/dbraw/zinc/29/17/84/277291784.db2.gz XASQRZGHXJDOJC-MRXNPFEDSA-N 0 0 329.404 0.998 10 0 ECAERN CC(C)(C)C(=O)OCOC(=O)[C@@H]1N2C(=O)C[C@@H]2S(=O)(=O)C1(C)C ZINC000005455247 278294632 /nfs/dbraw/zinc/29/46/32/278294632.db2.gz OHPVYKXTRACOSQ-UWVGGRQHSA-N 0 0 347.389 0.210 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)N2CCC[C@]2(CC)CO)C1 ZINC000263495045 279058585 /nfs/dbraw/zinc/05/85/85/279058585.db2.gz SNXVGGZEPNLGIF-SEEARECTSA-N 0 0 327.425 0.870 10 0 ECAERN O=C([C@@H]1CC(F)(F)CN1)N1CCn2c(nnc2C(F)(F)F)C1 ZINC000263015840 280076724 /nfs/dbraw/zinc/07/67/24/280076724.db2.gz QIVYFTPWLPBZRO-LURJTMIESA-N 0 0 325.241 0.636 10 0 ECAERN NC(=O)N[C@@H](CC(=O)N1CC(NC(=O)C2CC2)C1)c1cccs1 ZINC000189498945 437605487 /nfs/dbraw/zinc/60/54/87/437605487.db2.gz FTAHAXCIRLHFMO-NSHDSACASA-N 0 0 336.417 0.585 10 0 ECAERN CC(C)c1nc2n(n1)C[C@H](NS(=O)(=O)[C@H]1CCO[C@H]1C)CC2 ZINC000135726713 280675401 /nfs/dbraw/zinc/67/54/01/280675401.db2.gz AKBPGOJPCAFHFB-TUAOUCFPSA-N 0 0 328.438 0.813 10 0 ECAERN CN(C)C1=NC2(CCN(C(=O)c3noc4c3CCCC4)CC2)C(=O)N1 ZINC000218979837 282046508 /nfs/dbraw/zinc/04/65/08/282046508.db2.gz CTNAPHRWLBHHLM-UHFFFAOYSA-N 0 0 345.403 0.576 10 0 ECAERN Cn1cc([C@H]2CS(=O)(=O)CCN2C(=O)NC2CCCC2)cn1 ZINC000189954513 437614707 /nfs/dbraw/zinc/61/47/07/437614707.db2.gz VYUPVNCQSBXJEZ-CYBMUJFWSA-N 0 0 326.422 0.844 10 0 ECAERN CC(=O)NC1CN(C(=O)N[C@@H](C)c2ccc(-n3ccnn3)cc2)C1 ZINC000190290282 437621728 /nfs/dbraw/zinc/62/17/28/437621728.db2.gz KHSUSXFLOOTUCJ-NSHDSACASA-N 0 0 328.376 0.858 10 0 ECAERN Nc1nc(=O)n([C@H]2CC[C@@H](CO)O2)cc1I ZINC000001617051 295366328 /nfs/dbraw/zinc/36/63/28/295366328.db2.gz AMWJPSDPTPKJGN-CAHLUQPWSA-N 0 0 337.117 0.100 10 0 ECAERN O=C(NCC(=O)N1CCCC1)N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000333044749 297104157 /nfs/dbraw/zinc/10/41/57/297104157.db2.gz KGZPHAJMOKAEEO-KGLIPLIRSA-N 0 0 336.436 0.699 10 0 ECAERN O=C([C@H]1CCN1Cc1ccccc1)N1CCC[C@]2(C1)NC(=O)NC2=O ZINC000333364303 297128296 /nfs/dbraw/zinc/12/82/96/297128296.db2.gz YELUAYZONGAZIK-RDTXWAMCSA-N 0 0 342.399 0.462 10 0 ECAERN C[C@H](C(=O)NC[C@@H]1CCCC[C@@H]1O)N1C(=O)NC2(CCCC2)C1=O ZINC000361003570 300051434 /nfs/dbraw/zinc/05/14/34/300051434.db2.gz DIULBTHEEQCGDS-AGIUHOORSA-N 0 0 337.420 0.907 10 0 ECAERN C[C@H](C(=O)N1C[C@@H](F)C[C@H]1CO)N1C(=O)NC2(CCCC2)C1=O ZINC000364600560 300371420 /nfs/dbraw/zinc/37/14/20/300371420.db2.gz OEXDVABUFJRVKI-VWYCJHECSA-N 0 0 327.356 0.171 10 0 ECAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCCc1c[nH]c2cc(F)ccc12 ZINC000369549800 300749683 /nfs/dbraw/zinc/74/96/83/300749683.db2.gz YRUJKGRQKNQGDZ-CZUORRHYSA-N 0 0 333.363 0.947 10 0 ECAERN Cn1cc([C@]2(C)CN(C(=O)N[C@H]3CCc4c[nH]nc4C3)CCO2)cn1 ZINC000372018273 300962941 /nfs/dbraw/zinc/96/29/41/300962941.db2.gz VFWWEIMOGKKMBW-YOEHRIQHSA-N 0 0 344.419 0.958 10 0 ECAERN COCCNC(=O)CN1CCN(C(=O)N[C@H](C)C(C)(C)C)CC1 ZINC000074201129 436114714 /nfs/dbraw/zinc/11/47/14/436114714.db2.gz FTOFUIVWPJRKTQ-CYBMUJFWSA-N 0 0 328.457 0.511 10 0 ECAERN Cc1nn(C)cc1[C@H](C)NC(=O)C1CCN(c2cn[nH]c(=O)c2)CC1 ZINC000075535612 436163701 /nfs/dbraw/zinc/16/37/01/436163701.db2.gz OWYDPFFTGYASCU-NSHDSACASA-N 0 0 344.419 0.906 10 0 ECAERN C/C(Cl)=C\Cn1c(SCCO)nc2c1c(=O)[nH]c(=O)n2C ZINC000026580600 436165410 /nfs/dbraw/zinc/16/54/10/436165410.db2.gz JMMIEYIRRXKIKV-XVNBXDOJSA-N 0 0 330.797 0.650 10 0 ECAERN NC(=O)[C@@H]1CC[C@H](CNC(=O)N2CCC[C@@H]2[C@H]2CCCC[C@@H]2O)O1 ZINC000375644292 301194114 /nfs/dbraw/zinc/19/41/14/301194114.db2.gz MTQFQTDSUQTBAJ-ZSAUSMIDSA-N 0 0 339.436 0.744 10 0 ECAERN CNc1ccc(C(=O)N2CC[C@H](Nc3ccc4nccn4n3)C2)cn1 ZINC000376024288 301228955 /nfs/dbraw/zinc/22/89/55/301228955.db2.gz OZDBRGUYPJMHQC-ZDUSSCGKSA-N 0 0 337.387 0.336 10 0 ECAERN C[C@@H](CNC(=O)C(=O)Nc1cc(F)ccc1F)N1CCOCC1 ZINC000041600884 436278803 /nfs/dbraw/zinc/27/88/03/436278803.db2.gz FDEPHWGYBPIPOJ-JTQLQIEISA-N 0 0 327.331 0.740 10 0 ECAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)Cn1nnc(-c2ccccc2)n1 ZINC000081583815 436353016 /nfs/dbraw/zinc/35/30/16/436353016.db2.gz NRQWUPHPWFXTOO-ZDUSSCGKSA-N 0 0 338.375 0.891 10 0 ECAERN COC(=O)C(=O)N1CCN2C(=O)N(Cc3ccc(C)cc3)C[C@H]2C1 ZINC000085436112 436387117 /nfs/dbraw/zinc/38/71/17/436387117.db2.gz RZYUKBFHYPIFDQ-CQSZACIVSA-N 0 0 331.372 0.616 10 0 ECAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)NC[C@@H](C)N1CCOCC1 ZINC000087035891 436395337 /nfs/dbraw/zinc/39/53/37/436395337.db2.gz LAHCOSCIAWFKBX-CHWSQXEVSA-N 0 0 336.440 0.695 10 0 ECAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)NCCNC(=O)c1ccco1 ZINC000087035088 436395874 /nfs/dbraw/zinc/39/58/74/436395874.db2.gz MIWVETILYZXTFQ-NSHDSACASA-N 0 0 346.391 0.998 10 0 ECAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)[C@H]1CC(=O)N(CCOC)C1 ZINC000088196490 436399266 /nfs/dbraw/zinc/39/92/66/436399266.db2.gz DJIBSJUWBARSMS-NWDGAFQWSA-N 0 0 335.408 0.287 10 0 ECAERN COCCn1nc(C)c(NC(=O)NC[C@@H](C)N2CCOCC2)c1C ZINC000090148723 436429184 /nfs/dbraw/zinc/42/91/84/436429184.db2.gz RFMHWWBBQYONSN-GFCCVEGCSA-N 0 0 339.440 0.989 10 0 ECAERN CNC(=O)c1cccc(CNC(=O)NC[C@H](C)N2CCOCC2)c1 ZINC000049131057 436465135 /nfs/dbraw/zinc/46/51/35/436465135.db2.gz VAZBTRLJEYHPSD-ZDUSSCGKSA-N 0 0 334.420 0.566 10 0 ECAERN O=C(NC[C@@H](O)CN1CCOCC1)Nc1c(F)cc(F)cc1F ZINC000092927092 436478533 /nfs/dbraw/zinc/47/85/33/436478533.db2.gz AKRFWKRUFZDLJG-SNVBAGLBSA-N 0 0 333.310 0.919 10 0 ECAERN CCCCNC(=O)NC(=O)CN1CCC(Nc2cccnn2)CC1 ZINC000105805085 436578401 /nfs/dbraw/zinc/57/84/01/436578401.db2.gz OFVTYPILVXUHRZ-UHFFFAOYSA-N 0 0 334.424 0.979 10 0 ECAERN CC(C)NC(=O)NC(=O)[C@@H](C)N1CCC(Nc2cccnn2)CC1 ZINC000105805148 436578679 /nfs/dbraw/zinc/57/86/79/436578679.db2.gz HDAMEBYTMNUOGH-GFCCVEGCSA-N 0 0 334.424 0.976 10 0 ECAERN CC(C)CNC(=O)NC(=O)[C@H](C)N1CCCN(c2cccnn2)CC1 ZINC000105799394 436578757 /nfs/dbraw/zinc/57/87/57/436578757.db2.gz TUSFXNVLONEYBR-AWEZNQCLSA-N 0 0 348.451 0.859 10 0 ECAERN O=C(Cc1cccs1)N[C@@H]1C(=O)N2C3=C(COC3=O)CS[C@H]12 ZINC000096331915 436529874 /nfs/dbraw/zinc/52/98/74/436529874.db2.gz MFCXPAIGTKPWIS-ZWNOBZJWSA-N 0 0 336.394 0.501 10 0 ECAERN Cn1cc(C(=O)N2CCN(C[C@H](O)c3ccccc3)CC2)ccc1=O ZINC000105817395 436579411 /nfs/dbraw/zinc/57/94/11/436579411.db2.gz PNDULTLVTUAUDI-KRWDZBQOSA-N 0 0 341.411 0.877 10 0 ECAERN CN1CCO[C@@H](CNC(=O)N2CCCN(CC(F)(F)F)CC2)C1 ZINC000105282187 436571011 /nfs/dbraw/zinc/57/10/11/436571011.db2.gz MJJYRTPDWNTJQG-LBPRGKRZSA-N 0 0 338.374 0.597 10 0 ECAERN c1nnc2ccc(N3CCN(c4ccc5nccnc5n4)CC3)nn12 ZINC000108947092 436621737 /nfs/dbraw/zinc/62/17/37/436621737.db2.gz NOTWQBXPSXKXKN-UHFFFAOYSA-N 0 0 333.359 0.789 10 0 ECAERN CCc1noc([C@H](C)N2CCN(CC(=O)NCC(F)(F)F)CC2)n1 ZINC000105865054 436581912 /nfs/dbraw/zinc/58/19/12/436581912.db2.gz YKSKSPGDKQOAAA-JTQLQIEISA-N 0 0 349.357 0.989 10 0 ECAERN Cc1cnn([C@H]2CCCN(C(=O)Cn3nc4ccccn4c3=O)C2)c1 ZINC000105858938 436582238 /nfs/dbraw/zinc/58/22/38/436582238.db2.gz OPYZZIYUSQPKKL-AWEZNQCLSA-N 0 0 340.387 0.865 10 0 ECAERN CCS(=O)(=O)c1ccccc1C(=O)NC[C@@H](C)N1CCOCC1 ZINC000105995018 436588168 /nfs/dbraw/zinc/58/81/68/436588168.db2.gz MHRNODWBCRSGCD-CYBMUJFWSA-N 0 0 340.445 0.931 10 0 ECAERN CCNC(=O)NC1(C(=O)N2CCN(C[C@@H](O)CC)CC2)CCCC1 ZINC000106396136 436593559 /nfs/dbraw/zinc/59/35/59/436593559.db2.gz ZJRRAFRQUUCUJW-AWEZNQCLSA-N 0 0 340.468 0.533 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)CCNC(=O)c2cccs2)CC1 ZINC000106392708 436593719 /nfs/dbraw/zinc/59/37/19/436593719.db2.gz VCPZBLFFIFMLJM-CYBMUJFWSA-N 0 0 339.461 0.783 10 0 ECAERN CC(=O)N1CCc2cc(C(=O)N[C@H]3CCc4ncnn4C3)ccc21 ZINC000112651472 436633657 /nfs/dbraw/zinc/63/36/57/436633657.db2.gz ORCBBGLZYSWBTM-AWEZNQCLSA-N 0 0 325.372 0.932 10 0 ECAERN C[C@@H]1Oc2c(cccc2C(=O)N[C@@H]2CCc3ncnn3C2)NC1=O ZINC000112657110 436633898 /nfs/dbraw/zinc/63/38/98/436633898.db2.gz DHSUBZQCGJEWQA-VHSXEESVSA-N 0 0 327.344 0.742 10 0 ECAERN O=C(NCc1ccco1)[C@@H]1CCCN1C[C@H](O)CN1CCCC1=O ZINC000113504962 436637616 /nfs/dbraw/zinc/63/76/16/436637616.db2.gz SJZONDNIKQZHFF-ZFWWWQNUSA-N 0 0 335.404 0.344 10 0 ECAERN CC(C)(C)n1cc(CN2CCN(C(=O)c3nccnc3N)CC2)cn1 ZINC000113992141 436639510 /nfs/dbraw/zinc/63/95/10/436639510.db2.gz ZBWCKBPONCNFJJ-UHFFFAOYSA-N 0 0 343.435 0.968 10 0 ECAERN C[C@H](O)CCNC(=O)NCC(=O)N1CCN(c2ccccc2)CC1 ZINC000114827541 436644151 /nfs/dbraw/zinc/64/41/51/436644151.db2.gz YHKPNQDRQKREMA-AWEZNQCLSA-N 0 0 334.420 0.405 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)CNC(=O)c1ccccc1)CC2 ZINC000114890310 436644580 /nfs/dbraw/zinc/64/45/80/436644580.db2.gz MSDUEOYTPVXIHM-CYBMUJFWSA-N 0 0 327.388 0.702 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1cccc(-n3cnnn3)c1)CC2 ZINC000114864809 436644724 /nfs/dbraw/zinc/64/47/24/436644724.db2.gz GLAKEDQUJHRUMT-LBPRGKRZSA-N 0 0 338.375 0.561 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)c1cnc3sccn3c1=O)CC2 ZINC000114864543 436644815 /nfs/dbraw/zinc/64/48/15/436644815.db2.gz XZHAKIJQWRQMHW-SECBINFHSA-N 0 0 344.400 0.655 10 0 ECAERN Cn1c2[nH]c(CN3CCC[C@H]3c3ccco3)nc2c(=O)n(C)c1=O ZINC000116292562 436649626 /nfs/dbraw/zinc/64/96/26/436649626.db2.gz IZJHECZHFINXTB-JTQLQIEISA-N 0 0 329.360 0.890 10 0 ECAERN COC(=O)[C@H](CC(C)C)NC(=O)CN1CC[C@H](c2cnn(C)c2)C1 ZINC000116320080 436649794 /nfs/dbraw/zinc/64/97/94/436649794.db2.gz GBNHIQVRXRYCCP-ZFWWWQNUSA-N 0 0 336.436 0.913 10 0 ECAERN NS(=O)(=O)CCNC(=O)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000136998173 436656109 /nfs/dbraw/zinc/65/61/09/436656109.db2.gz KYBQFDIXMVIPDZ-SNVBAGLBSA-N 0 0 339.339 0.748 10 0 ECAERN Cc1ccc([C@@H](C)NC(=O)N2CCN(CCS(N)(=O)=O)CC2)o1 ZINC000195500341 436692836 /nfs/dbraw/zinc/69/28/36/436692836.db2.gz HCHOLHVWPUCACX-GFCCVEGCSA-N 0 0 344.437 0.265 10 0 ECAERN C[C@H](Oc1cccc(CO)c1)C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000120947466 436702848 /nfs/dbraw/zinc/70/28/48/436702848.db2.gz OCWZOPASBOBCHL-HOCLYGCPSA-N 0 0 334.416 0.879 10 0 ECAERN NS(=O)(=O)c1cnn(CC(=O)N[C@H]2CCCc3ccccc32)c1 ZINC000121068135 436706390 /nfs/dbraw/zinc/70/63/90/436706390.db2.gz UJWFCXZUVIOKIK-AWEZNQCLSA-N 0 0 334.401 0.724 10 0 ECAERN COC(=O)c1cn(CC(=O)Nc2ccc(Br)cn2)nn1 ZINC000223485797 436707713 /nfs/dbraw/zinc/70/77/13/436707713.db2.gz BYZVIQHUXGYQAX-UHFFFAOYSA-N 0 0 340.137 0.861 10 0 ECAERN CCOC(=O)CN[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)OC ZINC000143374514 436674969 /nfs/dbraw/zinc/67/49/69/436674969.db2.gz JPLSWLYEDBCBNZ-JSGCOSHPSA-N 0 0 336.388 0.428 10 0 ECAERN COc1cc2c(cc1OC[C@H](O)CN1CCOCC1)nc[nH]c2=O ZINC000144476237 436676269 /nfs/dbraw/zinc/67/62/69/436676269.db2.gz SCCLOOQOYYFKLX-LLVKDONJSA-N 0 0 335.360 0.004 10 0 ECAERN O=C(NC[C@H](O)COc1cccc(Cl)c1Cl)[C@H]1CNC(=O)C1 ZINC000195093527 436679505 /nfs/dbraw/zinc/67/95/05/436679505.db2.gz PXUBLAROTGZTKW-BDAKNGLRSA-N 0 0 347.198 0.985 10 0 ECAERN CNC(=O)Cn1cc(NC(=O)C(=O)N2CCC[C@H]2c2ccco2)cn1 ZINC000153127183 436748966 /nfs/dbraw/zinc/74/89/66/436748966.db2.gz BXSJMNFSWCYZBW-LBPRGKRZSA-N 0 0 345.359 0.524 10 0 ECAERN C[C@@H](NC(=O)NC[C@H]1CN(C)CCO1)c1ccc(-n2ccnn2)cc1 ZINC000124510325 436751295 /nfs/dbraw/zinc/75/12/95/436751295.db2.gz UWYLUIABJHWQOZ-CJNGLKHVSA-N 0 0 344.419 0.958 10 0 ECAERN O=C(NC[C@H](O)CN1CCOCC1)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000128165598 436812639 /nfs/dbraw/zinc/81/26/39/436812639.db2.gz CRPIOSDJUMWUPX-FPMFFAJLSA-N 0 0 340.370 0.878 10 0 ECAERN COC[C@@H](C)S(=O)(=O)N(C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000128391698 436816168 /nfs/dbraw/zinc/81/61/68/436816168.db2.gz MIVGRFRIPIGZAQ-CHWSQXEVSA-N 0 0 328.438 0.742 10 0 ECAERN Cn1cc([C@@H]2CCCN2c2cc(N3CCN(C)C(=O)C3)ncn2)cn1 ZINC000274373616 436819528 /nfs/dbraw/zinc/81/95/28/436819528.db2.gz QTJOISCGWKXMRZ-AWEZNQCLSA-N 0 0 341.419 0.830 10 0 ECAERN CCCC[C@H](NC(=O)NCC)C(=O)N1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000246344153 436777123 /nfs/dbraw/zinc/77/71/23/436777123.db2.gz VWQQNYFZCWPZPT-ILXRZTDVSA-N 0 0 342.484 0.778 10 0 ECAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)NCCN1CCOCC1)CC2 ZINC000154826640 436785298 /nfs/dbraw/zinc/78/52/98/436785298.db2.gz BYKONQFJGLISEA-CYBMUJFWSA-N 0 0 336.440 0.348 10 0 ECAERN C[C@@H](CNC(=O)c1cccc(C(=O)N2CCCC2)n1)N1CCOCC1 ZINC000154968502 436788062 /nfs/dbraw/zinc/78/80/62/436788062.db2.gz IFHHKBKDVNYYPA-AWEZNQCLSA-N 0 0 346.431 0.768 10 0 ECAERN CC(C)n1nccc1NC(=O)C(=O)N1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000247140502 436789956 /nfs/dbraw/zinc/78/99/56/436789956.db2.gz SVNRWWDZPJIUFB-OLZOCXBDSA-N 0 0 337.424 0.316 10 0 ECAERN CCOCCN1CCN(C(=O)[C@@H](CC)N2CCCC2=O)C[C@@H]1C ZINC000247451271 436794591 /nfs/dbraw/zinc/79/45/91/436794591.db2.gz OYUINQZMSAJVEM-LSDHHAIUSA-N 0 0 325.453 0.957 10 0 ECAERN CN1C[C@H](NC(=O)N2CCC(Nc3cccnn3)CC2)CCC1=O ZINC000155397586 436794622 /nfs/dbraw/zinc/79/46/22/436794622.db2.gz OQWOJGPKCXQNPE-CYBMUJFWSA-N 0 0 332.408 0.683 10 0 ECAERN C[C@H]1COC[C@H](C)N1C(=O)C1CCN(c2ccc3nncn3n2)CC1 ZINC000130875783 436843460 /nfs/dbraw/zinc/84/34/60/436843460.db2.gz QLCHWHGVKVSFJP-STQMWFEESA-N 0 0 344.419 0.977 10 0 ECAERN COCCC1(NS(C)(=O)=O)CCN(C(=O)c2ocnc2C)CC1 ZINC000257196808 436859634 /nfs/dbraw/zinc/85/96/34/436859634.db2.gz YXOGZJBHMCGKNN-UHFFFAOYSA-N 0 0 345.421 0.544 10 0 ECAERN O=C(NC[C@@H](O)CN1CCOCC1)c1ccc(-n2ccnc2)cc1 ZINC000129107829 436823633 /nfs/dbraw/zinc/82/36/33/436823633.db2.gz YDPKFRMFZMSMTM-MRXNPFEDSA-N 0 0 330.388 0.295 10 0 ECAERN C[C@@H]1OCC[C@@H]1S(=O)(=O)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000135672649 436922965 /nfs/dbraw/zinc/92/29/65/436922965.db2.gz YWDSHJNFCGRHSZ-ZFWWWQNUSA-N 0 0 342.465 0.435 10 0 ECAERN C[C@@H](CNC(=O)N[C@@H]1CCN(c2ccccn2)C1)N1CCOCC1 ZINC000163584386 436925104 /nfs/dbraw/zinc/92/51/04/436925104.db2.gz NVZCRWCZIJKPEQ-LSDHHAIUSA-N 0 0 333.436 0.680 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)N1CCCC3(C1)OCCO3)CC2 ZINC000133765429 436882800 /nfs/dbraw/zinc/88/28/00/436882800.db2.gz CGEJROOJGFOBPO-LBPRGKRZSA-N 0 0 335.408 0.704 10 0 ECAERN CN1CCO[C@H](CNS(=O)(=O)c2cnn(-c3ccccc3)c2)C1 ZINC000171094230 436967460 /nfs/dbraw/zinc/96/74/60/436967460.db2.gz DHGQWLXSLKWWPS-CQSZACIVSA-N 0 0 336.417 0.481 10 0 ECAERN CCCC(=O)N[C@@H]1CCCN(C(=O)N[C@@H]2CCc3nc(C)nn3C2)C1 ZINC000171083476 436967516 /nfs/dbraw/zinc/96/75/16/436967516.db2.gz ZVRDZDOLJQOYGS-ZIAGYGMSSA-N 0 0 348.451 0.992 10 0 ECAERN CCOCCS(=O)(=O)NC1CC([N@@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263512008 436969698 /nfs/dbraw/zinc/96/96/98/436969698.db2.gz YDZGFVGSIYMLFV-UHFFFAOYSA-N 0 0 334.438 0.270 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(Nc2ccc(S(=O)(=O)NC)cn2)C1 ZINC000263544513 436969828 /nfs/dbraw/zinc/96/98/28/436969828.db2.gz GBNBKLYCYAERAO-UHFFFAOYSA-N 0 0 342.421 0.339 10 0 ECAERN COc1cccc(OCCN2CCO[C@H](C[N@H+](C)CC(=O)[O-])C2)c1 ZINC000263580826 436971859 /nfs/dbraw/zinc/97/18/59/436971859.db2.gz WJQOXQJPGILYBF-MRXNPFEDSA-N 0 0 338.404 0.791 10 0 ECAERN COC1(CNC(=O)N[C@@H]2CCCN(c3nccn(C)c3=O)C2)CCC1 ZINC000275492216 436975131 /nfs/dbraw/zinc/97/51/31/436975131.db2.gz AQCQJWSGNSFNRP-CYBMUJFWSA-N 0 0 349.435 0.617 10 0 ECAERN CC(C)c1nnc2n1C[C@@H](Nc1ncc(S(N)(=O)=O)s1)CC2 ZINC000171363866 436978050 /nfs/dbraw/zinc/97/80/50/436978050.db2.gz HXIOLGSFYGZCGH-QMMMGPOBSA-N 0 0 342.450 0.932 10 0 ECAERN CCc1nnc([C@H]2CN(C(=O)C(=O)c3cnn(CC)c3)CCO2)[nH]1 ZINC000136437530 436932728 /nfs/dbraw/zinc/93/27/28/436932728.db2.gz GIIQYAHDLBLHQG-LLVKDONJSA-N 0 0 332.364 0.366 10 0 ECAERN CCC(=O)c1cccc(NC(=O)C(=O)N[C@H]2CCc3ncnn3C2)c1 ZINC000136564665 436933160 /nfs/dbraw/zinc/93/31/60/436933160.db2.gz YEWZCYUQWITPJM-ZDUSSCGKSA-N 0 0 341.371 0.941 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)CCn2cc(Cl)cn2)C1 ZINC000262698184 436940563 /nfs/dbraw/zinc/94/05/63/436940563.db2.gz FMTJJMGJHWGRCZ-UHFFFAOYSA-N 0 0 328.800 0.980 10 0 ECAERN CC(=O)N1CCC(NC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)CC1 ZINC000169882281 436943962 /nfs/dbraw/zinc/94/39/62/436943962.db2.gz CATCWMCNKWTJAV-LLVKDONJSA-N 0 0 343.383 0.798 10 0 ECAERN CC(C)CCO[C@@H](C)C(=O)N1CCO[C@@H](C[N@H+](C)CC(=O)[O-])C1 ZINC000263011828 436948194 /nfs/dbraw/zinc/94/81/94/436948194.db2.gz YTEVGAOJLMUTHF-KBPBESRZSA-N 0 0 330.425 0.681 10 0 ECAERN COc1ncncc1NC(=O)NC1CC([N@@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263084484 436950636 /nfs/dbraw/zinc/95/06/36/436950636.db2.gz ROQOVGINXGPESY-UHFFFAOYSA-N 0 0 349.391 0.934 10 0 ECAERN CN1CCN(C(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2ccccc2)CC1=O ZINC000172609842 437022792 /nfs/dbraw/zinc/02/27/92/437022792.db2.gz SJHAXWKXLFRXRQ-WMLDXEAASA-N 0 0 329.400 0.897 10 0 ECAERN CCCCCS(=O)(=O)CC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000172743140 437028183 /nfs/dbraw/zinc/02/81/83/437028183.db2.gz QZYCLKFJZYHAGJ-CQSZACIVSA-N 0 0 332.466 0.525 10 0 ECAERN O=S(=O)(N[C@@H]1CCc2ncnn2C1)c1ccc(F)c(F)c1F ZINC000172103470 436999077 /nfs/dbraw/zinc/99/90/77/436999077.db2.gz HHLKIQGUMCCUHG-SSDOTTSWSA-N 0 0 332.307 0.989 10 0 ECAERN CCC[C@H](O)CNC(=O)N[C@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000173567111 437056942 /nfs/dbraw/zinc/05/69/42/437056942.db2.gz DDLGGMIYNVFGCK-STQMWFEESA-N 0 0 337.424 0.684 10 0 ECAERN CCc1nnc([C@H]2CN(C(=O)c3cccc(C(=O)NC)c3)CCO2)[nH]1 ZINC000173611650 437058287 /nfs/dbraw/zinc/05/82/87/437058287.db2.gz RWIURSMHGXIWOW-CYBMUJFWSA-N 0 0 343.387 0.940 10 0 ECAERN Cn1cc(N2CCN(C[C@H](O)COCc3ccccc3)CC2=O)cn1 ZINC000175419140 437104961 /nfs/dbraw/zinc/10/49/61/437104961.db2.gz ABQFECUGUSFINB-KRWDZBQOSA-N 0 0 344.415 0.646 10 0 ECAERN COCCN1C(=O)N[C@@H]2CN(Cc3c(C)nn(C)c3OC)CC[C@@H]21 ZINC000299743992 437107031 /nfs/dbraw/zinc/10/70/31/437107031.db2.gz NEDDKULQCXFGEP-KGLIPLIRSA-N 0 0 337.424 0.352 10 0 ECAERN Cc1nc2c(cnn2C)c(N2C[C@@H](C(N)=O)[C@H](C(F)(F)F)C2)n1 ZINC000299742943 437107393 /nfs/dbraw/zinc/10/73/93/437107393.db2.gz KXAPQMBKMCKVQO-RKDXNWHRSA-N 0 0 328.298 0.772 10 0 ECAERN C[C@H](CNC(=O)NCCCNC(=O)C1CCC1)N1CCOCC1 ZINC000175603460 437110626 /nfs/dbraw/zinc/11/06/26/437110626.db2.gz FIVCPKRCWJDVCP-CYBMUJFWSA-N 0 0 326.441 0.313 10 0 ECAERN CCC(=O)N1CCN(c2cnn(C)c(=O)c2Br)CC1 ZINC000301232908 437117254 /nfs/dbraw/zinc/11/72/54/437117254.db2.gz JYMKJOCSPSBHQL-UHFFFAOYSA-N 0 0 329.198 0.601 10 0 ECAERN Cc1nnc([C@@H]2CN(S(=O)(=O)c3sc(C)nc3C)CCO2)[nH]1 ZINC000176950337 437164458 /nfs/dbraw/zinc/16/44/58/437164458.db2.gz VEHUJABJQBTAOY-JTQLQIEISA-N 0 0 343.434 0.949 10 0 ECAERN COc1cccc(C(=O)NCC(=O)N[C@@H]2CCCn3ncnc32)c1 ZINC000175823687 437119870 /nfs/dbraw/zinc/11/98/70/437119870.db2.gz XCDVCXGPHAYJCY-CYBMUJFWSA-N 0 0 329.360 0.668 10 0 ECAERN CN1CCC[C@@H](N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)C1 ZINC000301308921 437121442 /nfs/dbraw/zinc/12/14/42/437121442.db2.gz XBOJJRJITBAOHL-CQSZACIVSA-N 0 0 348.472 0.847 10 0 ECAERN CN(CC(F)(F)F)C(=O)CNc1nnc(Cl)cc1C(N)=O ZINC000301453268 437121837 /nfs/dbraw/zinc/12/18/37/437121837.db2.gz AZANKFNZLJKNEZ-UHFFFAOYSA-N 0 0 325.678 0.662 10 0 ECAERN C[C@@H]1CN(C(=O)c2nc3ccccc3c(=O)[nH]2)C[C@H]1N1CCOCC1 ZINC000177232334 437175055 /nfs/dbraw/zinc/17/50/55/437175055.db2.gz ZMVUQYDLNJEWCJ-IUODEOHRSA-N 0 0 342.399 0.716 10 0 ECAERN C[C@@H]1CN([C@@H]2CCN(CC(F)(F)F)C2=O)C[C@@H]1N1CCOCC1 ZINC000177234365 437176354 /nfs/dbraw/zinc/17/63/54/437176354.db2.gz DAMZKMHVAAZEBB-UPJWGTAASA-N 0 0 335.370 0.802 10 0 ECAERN O=C(Nc1ccc2c(c1)CCCO2)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000177629590 437192388 /nfs/dbraw/zinc/19/23/88/437192388.db2.gz ZLMGUEMWBTVCPP-CYBMUJFWSA-N 0 0 341.371 0.673 10 0 ECAERN C[C@@H](O)CN1CCN(C(=O)C(=O)Nc2cc(F)ccc2F)C[C@@H]1C ZINC000177607020 437192492 /nfs/dbraw/zinc/19/24/92/437192492.db2.gz BBBRRVJBKIUBQP-WDEREUQCSA-N 0 0 341.358 0.817 10 0 ECAERN CCc1cc(NC(=O)C(=O)N2CCO[C@@H](Cn3cccn3)C2)n(C)n1 ZINC000177650380 437193450 /nfs/dbraw/zinc/19/34/50/437193450.db2.gz HISWCSNVRRMPMO-CYBMUJFWSA-N 0 0 346.391 0.045 10 0 ECAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)NC[C@](C)(O)C(C)C ZINC000177686659 437195918 /nfs/dbraw/zinc/19/59/18/437195918.db2.gz IEBNPOVCJGJDRZ-NHYWBVRUSA-N 0 0 325.413 0.966 10 0 ECAERN O=S(=O)(CCC1CC1)N1CC[C@@](O)(c2nc(C3CC3)no2)C1 ZINC000328611615 437239749 /nfs/dbraw/zinc/23/97/49/437239749.db2.gz MAZWJJUFIUGBSP-AWEZNQCLSA-N 0 0 327.406 0.970 10 0 ECAERN Cc1cc(S(=O)(=O)N2CC[C@@](O)(c3nc(C)no3)C2)c(C)o1 ZINC000328610951 437240463 /nfs/dbraw/zinc/24/04/63/437240463.db2.gz JSBDKKQVENGYEW-ZDUSSCGKSA-N 0 0 327.362 0.870 10 0 ECAERN Cc1nnc(CN(C)[C@@H]2CN(C(=O)[C@H](C)OCC3CC3)C[C@H]2O)o1 ZINC000328629430 437242395 /nfs/dbraw/zinc/24/23/95/437242395.db2.gz IFDLJDJYYDCVBR-ZLKJLUDKSA-N 0 0 338.408 0.197 10 0 ECAERN CNC(=O)c1ccc(N2CCN([C@@H](C)c3nc(C)no3)CC2)nn1 ZINC000266804751 437246553 /nfs/dbraw/zinc/24/65/53/437246553.db2.gz DAAGCSWJEBRLGL-JTQLQIEISA-N 0 0 331.380 0.411 10 0 ECAERN CNC(=O)[C@H]1CCCN1C(=O)NCCNC(=O)c1ccccc1F ZINC000179250717 437256644 /nfs/dbraw/zinc/25/66/44/437256644.db2.gz ZKUOOPQYPJBTAJ-CYBMUJFWSA-N 0 0 336.367 0.476 10 0 ECAERN C[C@@H]1CN(C(=O)C(=O)Nc2ccc(F)cc2)C[C@@H]1N1CCOCC1 ZINC000180254020 437283517 /nfs/dbraw/zinc/28/35/17/437283517.db2.gz GDQJJTDZSLMTEE-DOMZBBRYSA-N 0 0 335.379 0.943 10 0 ECAERN Cc1c(C(=O)N2CCOC[C@H]2C(N)=O)nnn1-c1cccc(Cl)c1 ZINC000180266581 437284310 /nfs/dbraw/zinc/28/43/10/437284310.db2.gz OBWHUOPYHMNDHP-LBPRGKRZSA-N 0 0 349.778 0.555 10 0 ECAERN COc1cccc2[nH]cc(CC(=O)NC[C@@H](O)CN3CCOCC3)c21 ZINC000180318918 437287049 /nfs/dbraw/zinc/28/70/49/437287049.db2.gz VVTFITQPSQABRC-CQSZACIVSA-N 0 0 347.415 0.528 10 0 ECAERN CN(C)C(=O)CC1CCN(C(=O)NC[C@H]2CN(C)CCO2)CC1 ZINC000182617389 437356308 /nfs/dbraw/zinc/35/63/08/437356308.db2.gz RZMSSXSIEVOCNL-AWEZNQCLSA-N 0 0 326.441 0.217 10 0 ECAERN COC[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1 ZINC000184501043 437403412 /nfs/dbraw/zinc/40/34/12/437403412.db2.gz HHNZTJPPFHSTTB-ZBFHGGJFSA-N 0 0 334.416 0.855 10 0 ECAERN CC(C)c1ccc(OCCNC(=O)CN2C[C@@H](O)C[C@@H]2CO)cc1 ZINC000185143103 437427583 /nfs/dbraw/zinc/42/75/83/437427583.db2.gz HPRYMRHOKSLWRU-CVEARBPZSA-N 0 0 336.432 0.733 10 0 ECAERN COCC(=O)NC1CN(C(=O)c2nnn(-c3ccc(C)cc3)c2C)C1 ZINC000186319496 437470369 /nfs/dbraw/zinc/47/03/69/437470369.db2.gz NCHVBAKYWOCAOW-UHFFFAOYSA-N 0 0 343.387 0.471 10 0 ECAERN O=C(NC1CN(C(=O)c2nc3ccccc3c(=O)[nH]2)C1)C1CCC1 ZINC000186478291 437472845 /nfs/dbraw/zinc/47/28/45/437472845.db2.gz NCDUNFLNJZEDGR-UHFFFAOYSA-N 0 0 326.356 0.664 10 0 ECAERN CC(=O)N[C@@H]1CCCN(C(=O)C(=O)N2CCc3c2cccc3F)C1 ZINC000185564377 437442894 /nfs/dbraw/zinc/44/28/94/437442894.db2.gz SPBJKHGFHADOOV-GFCCVEGCSA-N 0 0 333.363 0.842 10 0 ECAERN O=C([C@@H]1CC(=O)N(c2cn[nH]c2)C1)N1CCC[C@@H](n2cncn2)C1 ZINC000330079202 437451975 /nfs/dbraw/zinc/45/19/75/437451975.db2.gz OCPOVMOXCMVOBH-VXGBXAGGSA-N 0 0 329.364 0.218 10 0 ECAERN CS(=O)(=O)N1CC(CNC(=O)N2CCCC[C@H]2c2cn[nH]c2)C1 ZINC000188166408 437530405 /nfs/dbraw/zinc/53/04/05/437530405.db2.gz VFWMDSGAIQZDEP-ZDUSSCGKSA-N 0 0 341.437 0.538 10 0 ECAERN CC(C)(C)C(=O)Cn1cc(C(=O)N2CC(NC(=O)C3CCC3)C2)nn1 ZINC000188468915 437551231 /nfs/dbraw/zinc/55/12/31/437551231.db2.gz QQDDWHCIHZTDNR-UHFFFAOYSA-N 0 0 347.419 0.634 10 0 ECAERN Cn1cc(CN2CCCN(C(=O)C(=O)Nc3cccnc3)CC2)cn1 ZINC000188867554 437575531 /nfs/dbraw/zinc/57/55/31/437575531.db2.gz KNAOWAJSNBMVTB-UHFFFAOYSA-N 0 0 342.403 0.488 10 0 ECAERN CC(C)c1cnc(NC(=O)C(=O)NC[C@@H]2CN(C)CCO2)s1 ZINC000190494691 437627534 /nfs/dbraw/zinc/62/75/34/437627534.db2.gz MCVYAPYTTAWOMP-SNVBAGLBSA-N 0 0 326.422 0.652 10 0 ECAERN COC[C@H]1CN(C(=O)Cc2c(C)[nH]c3ccnn3c2=O)CC(C)(C)O1 ZINC000343729044 437638236 /nfs/dbraw/zinc/63/82/36/437638236.db2.gz KJCCBDSUZLDPQA-GFCCVEGCSA-N 0 0 348.403 0.526 10 0 ECAERN Cn1ccnc1[C@@H]1CN(c2ccnc(N3CCOCC3)n2)CCN1C ZINC000373684986 438163906 /nfs/dbraw/zinc/16/39/06/438163906.db2.gz WIZBZASMILWUOF-AWEZNQCLSA-N 0 0 343.435 0.540 10 0 ECAERN CC[C@@H]1CN(C(=O)N[C@@H]2CCC(=O)N[C@@H]2[C@H]2CCCO2)CCO1 ZINC000368205860 438300582 /nfs/dbraw/zinc/30/05/82/438300582.db2.gz RCENVBKRSSRYJS-BHPKHCPMSA-N 0 0 325.409 0.633 10 0 ECAERN NC(=O)[C@@]1(O)CCCN(C(=O)/C=C\c2ccc(Br)o2)C1 ZINC000380564956 438413383 /nfs/dbraw/zinc/41/33/83/438413383.db2.gz GXLIPWCWNHPGHV-HSBHDXMMSA-N 0 0 343.177 0.894 10 0 ECAERN CCN1C(=O)CC[C@H](C(=O)N2CC[C@@](C)(O)C2)[C@@H]1c1cnn(C)c1 ZINC000370260182 438566745 /nfs/dbraw/zinc/56/67/45/438566745.db2.gz GIIKFEBGJOFQAA-JLJPHGGASA-N 0 0 334.420 0.703 10 0 ECAERN Cn1ncc(Cl)c1S(=O)(=O)N1CCOC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000583616411 439486568 /nfs/dbraw/zinc/48/65/68/439486568.db2.gz ORDMJZCLKXXMCQ-JLLWLGSASA-N 0 0 349.840 0.624 10 0 ECAERN O[C@@]1(c2cn[nH]n2)CCCN(c2ncc(Br)cn2)C1 ZINC000583616731 439488472 /nfs/dbraw/zinc/48/84/72/439488472.db2.gz KARGZYGQOPHNDE-NSHDSACASA-N 0 0 325.170 0.845 10 0 ECAERN CC(C)n1cc([C@]2(O)CCCN(CC(=O)N3CCOCC3)C2)nn1 ZINC000583617999 439489094 /nfs/dbraw/zinc/48/90/94/439489094.db2.gz SHGHWMKUSSWIKU-INIZCTEOSA-N 0 0 337.424 0.001 10 0 ECAERN CCNC(=O)[C@@]1(N2CCN(C(=O)OC(C)(C)C)CC2)CCOC1 ZINC000536953478 439539585 /nfs/dbraw/zinc/53/95/85/439539585.db2.gz ICOWZJKGBHEMOY-MRXNPFEDSA-N 0 0 327.425 0.834 10 0 ECAERN COC(=O)C1(C(=O)OC)NC(=O)c2ccc(Br)cc21 ZINC000584602524 439604327 /nfs/dbraw/zinc/60/43/27/439604327.db2.gz MUFMYAXKSILKMS-UHFFFAOYSA-N 0 0 328.118 0.734 10 0 ECAERN COc1cccc(C(=O)NCC(=O)N2CC[C@H](n3ccnn3)C2)c1 ZINC000585321655 439641136 /nfs/dbraw/zinc/64/11/36/439641136.db2.gz ZUAYFOMBYOJRJG-ZDUSSCGKSA-N 0 0 329.360 0.490 10 0 ECAERN CCOC(=O)c1cccc([C@H]2CN(S(N)(=O)=O)CCCO2)c1 ZINC000616658745 439820598 /nfs/dbraw/zinc/82/05/98/439820598.db2.gz LHRCACVUEYRCSI-CYBMUJFWSA-N 0 0 328.390 0.830 10 0 ECAERN CN1CCN(Cc2ccccc2)[C@H](CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC000663142924 440023154 /nfs/dbraw/zinc/02/31/54/440023154.db2.gz ZYSFKVAKBWMTSH-BZUAXINKSA-N 0 0 331.416 0.640 10 0 ECAERN COC[C@]1(C(N)=O)CCCN1S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000643701860 440269345 /nfs/dbraw/zinc/26/93/45/440269345.db2.gz ISABWAQUJGYHEW-HNNXBMFYSA-N 0 0 340.401 0.277 10 0 ECAERN CNC(=O)C[C@@H]1CS(=O)(=O)CCN1C(=O)c1[nH]ccc1C1CC1 ZINC000644171070 440458745 /nfs/dbraw/zinc/45/87/45/440458745.db2.gz ILKUOMLZTNYLHN-LLVKDONJSA-N 0 0 339.417 0.267 10 0 ECAERN CCN1CCN(Cc2nnc([C@@]3(OC)CCOC3)o2)C(C)(C)C1=O ZINC000644267605 440497983 /nfs/dbraw/zinc/49/79/83/440497983.db2.gz CHLVWZKLWJXCAN-MRXNPFEDSA-N 0 0 338.408 0.774 10 0 ECAERN O=C(CN1CCCC[C@@H](O)C1=O)NCc1ccc(-n2cccn2)cc1 ZINC000644308362 440517282 /nfs/dbraw/zinc/51/72/82/440517282.db2.gz SFZFIRKEXWWKSX-MRXNPFEDSA-N 0 0 342.399 0.862 10 0 ECAERN O=C(CN1CCCC[C@H](O)C1=O)N1CCC(c2ccncn2)CC1 ZINC000644498406 440625261 /nfs/dbraw/zinc/62/52/61/440625261.db2.gz JOLPQZBGBUBVPV-HNNXBMFYSA-N 0 0 332.404 0.556 10 0 ECAERN O=C(NC[C@H](O)CN1CCOCC1)c1ccccc1OCC1CC1 ZINC000128117694 320511797 /nfs/dbraw/zinc/51/17/97/320511797.db2.gz ISSJVZWHRKQSBL-HNNXBMFYSA-N 0 0 334.416 0.898 10 0 ECAERN O=C(NCc1ccc2c(c1)OCCO2)N[C@H]1CCc2ncnn2C1 ZINC000171865694 320515575 /nfs/dbraw/zinc/51/55/75/320515575.db2.gz DFILGBGYUCSSKN-LBPRGKRZSA-N 0 0 329.360 0.864 10 0 ECAERN CC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2ccc3c(c2)N(C)CC3)C1 ZINC000180467465 320524579 /nfs/dbraw/zinc/52/45/79/320524579.db2.gz NFYUUECKPNKGCQ-OAHLLOKOSA-N 0 0 344.415 0.745 10 0 ECAERN CN(C(=O)N1CC[C@]2(O)CCCC[C@@H]2C1)[C@H]1CCS(=O)(=O)C1 ZINC000328843301 320736107 /nfs/dbraw/zinc/73/61/07/320736107.db2.gz QLLQDZWRIDRJIF-VNHYZAJKSA-N 0 0 330.450 0.852 10 0 ECAERN Cc1cc(C(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)c2cnn(C)c2n1 ZINC000328918419 320741449 /nfs/dbraw/zinc/74/14/49/320741449.db2.gz BFSYXNBBVYXJGY-NSHDSACASA-N 0 0 328.332 0.493 10 0 ECAERN Cn1nccc1[C@@H]1[C@@H](C(=O)N2CC[C@@]3(CCOC3)C2)CC(=O)N1C ZINC000328930126 320742532 /nfs/dbraw/zinc/74/25/32/320742532.db2.gz YYIPXOKNDBEVOG-YLQAJVPDSA-N 0 0 332.404 0.579 10 0 ECAERN C[C@@H]1CN(c2ccccn2)C[C@H]1C(=O)N1CCN(C2CC2)C(=O)C1 ZINC000328950819 320744374 /nfs/dbraw/zinc/74/43/74/320744374.db2.gz LJVGTFLTJZSTCG-UKRRQHHQSA-N 0 0 328.416 0.987 10 0 ECAERN CCC(=O)N1CSC[C@H]1C(=O)N1CCN(Cc2ccon2)CC1 ZINC000329623053 320782013 /nfs/dbraw/zinc/78/20/13/320782013.db2.gz HKGLXPYCOMSBDH-ZDUSSCGKSA-N 0 0 338.433 0.630 10 0 ECAERN C[C@H]1COCCN1c1nnc(-c2cnn(C)c2)n1C[C@H]1CCOC1 ZINC000329666836 320783901 /nfs/dbraw/zinc/78/39/01/320783901.db2.gz QHWKZEWLJANCPH-QWHCGFSZSA-N 0 0 332.408 0.940 10 0 ECAERN CC(C)c1nnc([C@@H]2CN(C(=O)[C@@H](C)N3CCOCC3)CCO2)o1 ZINC000330355739 320819257 /nfs/dbraw/zinc/81/92/57/320819257.db2.gz QWHFATQLWAGXGW-OLZOCXBDSA-N 0 0 338.408 0.814 10 0 ECAERN O=C(NCCC1CCOCC1)N1CCC[C@H](N2CCNCC2=O)C1 ZINC000333356697 320916258 /nfs/dbraw/zinc/91/62/58/320916258.db2.gz KKIQFSSXWOYTNO-HNNXBMFYSA-N 0 0 338.452 0.409 10 0 ECAERN C[C@H]1CN(C(=O)c2ccnc(-n3cncn3)c2)C[C@H]1N1CCOCC1 ZINC000173889030 533889669 /nfs/dbraw/zinc/88/96/69/533889669.db2.gz ZEDSIQXEOHBPKM-DZGCQCFKSA-N 0 0 342.403 0.455 10 0 ECAERN CC(C)CC(=O)N[C@@H](C(=O)N1CCc2nn(C)c(=O)cc2C1)C(C)C ZINC000174457051 527665280 /nfs/dbraw/zinc/66/52/80/527665280.db2.gz IGDABIANRXXCDC-QGZVFWFLSA-N 0 0 348.447 0.852 10 0 ECAERN CCC(=O)N1CC[C@@H](NC(=O)[C@@H](Cc2ccccc2)NC(N)=O)C1 ZINC000136272270 528353049 /nfs/dbraw/zinc/35/30/49/528353049.db2.gz RCQRACDBTSVGOK-ZIAGYGMSSA-N 0 0 332.404 0.393 10 0 ECAERN CCC(=O)c1cccc(NC(=O)C(=O)N[C@@H]2CCc3ncnn3C2)c1 ZINC000136564627 528471632 /nfs/dbraw/zinc/47/16/32/528471632.db2.gz YEWZCYUQWITPJM-CYBMUJFWSA-N 0 0 341.371 0.941 10 0 ECAERN CC(C)c1nnc2n1C[C@@H](NC(=O)c1cnc3c(c1)nnn3C)CC2 ZINC000183555226 528475950 /nfs/dbraw/zinc/47/59/50/528475950.db2.gz RPGDUSAYNOWRNQ-NSHDSACASA-N 0 0 340.391 0.823 10 0 ECAERN CC(C)[C@H](NC(=O)Cc1ccc(S(=O)(=O)C(F)F)cc1)C(N)=O ZINC000131723932 529086205 /nfs/dbraw/zinc/08/62/05/529086205.db2.gz NDKJXCDWOHEABW-LBPRGKRZSA-N 0 0 348.371 0.852 10 0 ECAERN CC(=O)Nc1ccc(S(=O)(=O)N(C)C[C@H]2CN(C)CCO2)cc1 ZINC000074775061 545685912 /nfs/dbraw/zinc/68/59/12/545685912.db2.gz RBYZLYWUNKWIAF-CQSZACIVSA-N 0 0 341.433 0.596 10 0 ECAERN CCOCCOCC(=O)N1CCCN(Cc2cnn(CC)c2)CC1 ZINC000105830743 545737449 /nfs/dbraw/zinc/73/74/49/545737449.db2.gz OMZSHQNEPOCJJP-UHFFFAOYSA-N 0 0 338.452 0.990 10 0 ECAERN CCn1cc(CN2CCCN(C(=O)CCn3cncn3)CC2)cn1 ZINC000105829695 545737546 /nfs/dbraw/zinc/73/75/46/545737546.db2.gz HDHDCPXGYZAQPW-UHFFFAOYSA-N 0 0 331.424 0.619 10 0 ECAERN C[C@@H](OC1CCCCCC1)C(=O)NC[C@H](O)CN1CCOCC1 ZINC000132361208 545791623 /nfs/dbraw/zinc/79/16/23/545791623.db2.gz LWIOXGVPLIDYMZ-CABCVRRESA-N 0 0 328.453 0.924 10 0 ECAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1C[C@@H](c2ccccc2)O[C@@H](C)C1 ZINC000188760679 545902961 /nfs/dbraw/zinc/90/29/61/545902961.db2.gz XIDLPQJIPQGIAS-DXEWXGHRSA-N 0 0 332.400 0.957 10 0 ECAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000193801918 545912576 /nfs/dbraw/zinc/91/25/76/545912576.db2.gz CTXMUVYMGUMASH-FVQBIDKESA-N 0 0 336.363 0.787 10 0 ECAERN CS(=O)(=O)N1CCCC[C@@H]1C(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000248023311 545942286 /nfs/dbraw/zinc/94/22/86/545942286.db2.gz OCXHDATVNNKUAS-LZWOXQAQSA-N 0 0 344.477 0.954 10 0 ECAERN O=S(=O)(CCCOCc1ccccc1)N[C@@H]1CCOC[C@@H]1O ZINC000625591527 547159940 /nfs/dbraw/zinc/15/99/40/547159940.db2.gz GXYWIPLEWISGJS-CABCVRRESA-N 0 0 329.418 0.663 10 0 ECAERN CC(C)(C)c1nnc2ccc(N3CC[C@](O)(Cn4ccnn4)C3)nn21 ZINC000671466250 548154084 /nfs/dbraw/zinc/15/40/84/548154084.db2.gz IXWSVYQOEFCWSZ-MRXNPFEDSA-N 0 0 342.407 0.655 10 0 ECAERN Cn1ncc(Br)c1CN1CC[C@@](O)(Cn2ccnn2)C1 ZINC000671492637 548159995 /nfs/dbraw/zinc/15/99/95/548159995.db2.gz YWZWBQZRSCZHRZ-LBPRGKRZSA-N 0 0 341.213 0.411 10 0 ECAERN CC(C)COc1ncccc1C(=O)N1CC[C@@](O)(Cn2ccnn2)C1 ZINC000671606680 548203881 /nfs/dbraw/zinc/20/38/81/548203881.db2.gz ORNSTGFJJRMKBJ-KRWDZBQOSA-N 0 0 345.403 0.985 10 0 ECAERN COC(=O)[C@H](CCS(N)(=O)=O)NC(=O)OCc1ccccc1 ZINC000675050841 548706497 /nfs/dbraw/zinc/70/64/97/548706497.db2.gz TYCPVVFRQFBFSZ-NSHDSACASA-N 0 0 330.362 0.133 10 0 ECAERN O=C([O-])[C@@H]1C[NH2+]C[C@@H]1c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000757192792 579459914 /nfs/dbraw/zinc/45/99/14/579459914.db2.gz NGJKLLYCHLEERN-ZIAGYGMSSA-N 0 0 340.401 0.095 10 0 ECAERN C[C@H](O)C(=O)N1CCN(CC2CC(NC(=O)OC(C)(C)C)C2)CC1 ZINC000892125346 586223315 /nfs/dbraw/zinc/22/33/15/586223315.db2.gz TYNNOIHLGVYDSN-HSBZDZAISA-N 0 0 341.452 0.815 10 0 ECAERN CN1CCN(C(=O)c2cn([C@@H]3COC[C@H]3O)nn2)c2ccc(F)cc21 ZINC000888093542 586348565 /nfs/dbraw/zinc/34/85/65/586348565.db2.gz DXPBAIVXOHZMMK-HUUCEWRRSA-N 0 0 347.350 0.446 10 0 ECAERN Cc1ncc(C(=O)N[C@@H]2CCCC[C@@H]2Cc2nn(C)c(=O)n2C)[nH]1 ZINC000888095445 586349558 /nfs/dbraw/zinc/34/95/58/586349558.db2.gz YKUSXCLRNAWWPS-VXGBXAGGSA-N 0 0 332.408 0.682 10 0 ECAERN COC1CC(C(=O)N[C@@H]2CCCC[C@@H]2Cc2nn(C)c(=O)n2C)C1 ZINC000888099088 586350262 /nfs/dbraw/zinc/35/02/62/586350262.db2.gz RGSJJIOPLHOSCJ-BLYZHGLHSA-N 0 0 336.436 0.761 10 0 ECAERN Cc1nonc1CN1C[C@H](C(=O)N2CCCC2)[C@@H](c2cnn(C)c2)C1 ZINC000888103651 586350680 /nfs/dbraw/zinc/35/06/80/586350680.db2.gz RFULZGLDCSNXMR-CABCVRRESA-N 0 0 344.419 0.950 10 0 ECAERN Cc1cn(C(C)(C)C(=O)N2CCC[C@@](O)(C(=O)N3CCCC3)C2)cn1 ZINC000897718693 586364405 /nfs/dbraw/zinc/36/44/05/586364405.db2.gz VMZHBZNYUSTJSS-SFHVURJKSA-N 0 0 348.447 0.903 10 0 ECAERN C/C=C\[C@H](O)C(=O)N1CCN(c2nc(C)nc3c2cnn3C)CC1 ZINC000900711840 586658360 /nfs/dbraw/zinc/65/83/60/586658360.db2.gz QODBZXWJLHQISS-ZFDPJTLLSA-N 0 0 330.392 0.257 10 0 ECAERN Cc1cc(C(=O)N2CCO[C@@H](C[N@@H+](C)CC(=O)[O-])C2)c2nccn2c1 ZINC000901541739 586711135 /nfs/dbraw/zinc/71/11/35/586711135.db2.gz YBYYJJHVFRMLAY-ZDUSSCGKSA-N 0 0 346.387 0.500 10 0 ECAERN CC(=O)NC1CN(C(=O)c2cc3ncc(Br)cn3n2)C1 ZINC000907644241 586746887 /nfs/dbraw/zinc/74/68/87/586746887.db2.gz TVJQPMRWZQAIEH-UHFFFAOYSA-N 0 0 338.165 0.452 10 0 ECAERN Cn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2nccc3[nH]ccc32)cn1 ZINC000862921641 589973613 /nfs/dbraw/zinc/97/36/13/589973613.db2.gz AGIZQMIXLADSMI-UONOGXRCSA-N 0 0 327.344 0.873 10 0 ECAERN CC[C@]1(c2cnn(C)c2)NC(=O)N(CN2C[C@@H](C)O[C@H](C)C2)C1=O ZINC000123524230 590055181 /nfs/dbraw/zinc/05/51/81/590055181.db2.gz IIWDTDCTXAKFPT-XHBSWPGZSA-N 0 0 335.408 0.644 10 0 ECAERN C[C@@H]1CN(Cn2nc(N3CCCC3)sc2=S)C[C@@H](C(N)=O)O1 ZINC000120200253 590095112 /nfs/dbraw/zinc/09/51/12/590095112.db2.gz AMMJBXLXRREJCV-ZJUUUORDSA-N 0 0 343.478 0.806 10 0 ECAERN O=C(NC[C@H](O)CN1CCOCC1)Nc1cccc(C(F)(F)F)n1 ZINC000124229817 590145760 /nfs/dbraw/zinc/14/57/60/590145760.db2.gz RCDJKIBLPDRWJO-JTQLQIEISA-N 0 0 348.325 0.915 10 0 ECAERN CCN1CCO[C@@H](CNC(=O)c2nonc2C)[C@@H]1c1nccn1C ZINC000886027395 590786972 /nfs/dbraw/zinc/78/69/72/590786972.db2.gz WEJVECKHVKBTNB-WCQYABFASA-N 0 0 334.380 0.303 10 0 ECAERN CN(C)C(=O)COC[C@H]1CN(c2cccc(=O)n2C)CC(C)(C)O1 ZINC000886040550 590787485 /nfs/dbraw/zinc/78/74/85/590787485.db2.gz LJCBFUGXZWLVJE-CYBMUJFWSA-N 0 0 337.420 0.474 10 0 ECAERN Cc1cc2c(N3CCC[C@@](O)(Cc4nncn4C)C3)nccn2n1 ZINC000886065770 590789757 /nfs/dbraw/zinc/78/97/57/590789757.db2.gz SWCODZZPLIPHET-MRXNPFEDSA-N 0 0 327.392 0.740 10 0 ECAERN CO[C@H]1CCCCN(CC(=O)N2CCN(c3cccnn3)CC2)C1=O ZINC000886074624 590790598 /nfs/dbraw/zinc/79/05/98/590790598.db2.gz IABGGCLHSHRMNG-AWEZNQCLSA-N 0 0 347.419 0.153 10 0 ECAERN CO[C@@H]1CCCCN(CC(=O)N2CC(O)(c3ccccc3)C2)C1=O ZINC000886078514 590791645 /nfs/dbraw/zinc/79/16/45/590791645.db2.gz ZBAAYCWLQHGRGV-OAHLLOKOSA-N 0 0 332.400 0.744 10 0 ECAERN Cc1noc(C[C@]2(O)CCCN(Cc3cn(CC4CC4)nn3)C2)n1 ZINC000886079742 590791891 /nfs/dbraw/zinc/79/18/91/590791891.db2.gz ZRVVYBRPBVQARN-MRXNPFEDSA-N 0 0 332.408 0.949 10 0 ECAERN NC(=O)[C@]1(N2CCN(C(=O)c3[nH]ccc3C3CC3)CC2)CCOC1 ZINC000886078254 590791977 /nfs/dbraw/zinc/79/19/77/590791977.db2.gz UFALKACPKGIDGU-KRWDZBQOSA-N 0 0 332.404 0.294 10 0 ECAERN CO[C@@H]1CN(C(=O)c2cc(C(F)(F)F)n[nH]2)C[C@H]1c1cn(C)nn1 ZINC000886084885 590792612 /nfs/dbraw/zinc/79/26/12/590792612.db2.gz NLBJESCMACYBSP-OIBJUYFYSA-N 0 0 344.297 0.812 10 0 ECAERN COCCC1(C(=O)N2CCC[C@](O)(Cc3nncn3C)C2)CCC1 ZINC000886094867 590794239 /nfs/dbraw/zinc/79/42/39/590794239.db2.gz FNJGFJGLXPOZND-KRWDZBQOSA-N 0 0 336.436 0.918 10 0 ECAERN CCN1C(=O)CC[C@H](CNC(=O)c2ccn[nH]2)[C@H]1c1nccn1C ZINC000886097391 590795739 /nfs/dbraw/zinc/79/57/39/590795739.db2.gz YEGUCOTUFOGGIN-RISCZKNCSA-N 0 0 330.392 0.873 10 0 ECAERN COc1ccccc1C(=O)N1CCN([C@]2(C(N)=O)CCOC2)CC1 ZINC000886097234 590795784 /nfs/dbraw/zinc/79/57/84/590795784.db2.gz VGIXORKXTFXZRT-QGZVFWFLSA-N 0 0 333.388 0.097 10 0 ECAERN COC(=O)[C@@H]1C[C@@H]1C(=O)NCC1CCN(C(=O)C(F)(F)F)CC1 ZINC000074064577 611486060 /nfs/dbraw/zinc/48/60/60/611486060.db2.gz MGERKERFMVBYGU-VHSXEESVSA-N 0 0 336.310 0.713 10 0 ECAERN CC(C)CN1CCC[C@@H]1CNS(=O)(=O)CCS(C)(=O)=O ZINC000160290100 608909426 /nfs/dbraw/zinc/90/94/26/608909426.db2.gz YPFFHTKWWYEXFS-GFCCVEGCSA-N 0 0 326.484 0.071 10 0 ECAERN CNC(=O)[C@H](NC(=O)C(=O)Nc1ccc(N(C)C)c(C)c1)C(C)C ZINC000179078008 608930189 /nfs/dbraw/zinc/93/01/89/608930189.db2.gz JIGZDFXZHNWRQC-CQSZACIVSA-N 0 0 334.420 0.886 10 0 ECAERN CCC[C@@H]([NH3+])C(=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000178123145 608948983 /nfs/dbraw/zinc/94/89/83/608948983.db2.gz FXFZVMMABYHJPF-SNVBAGLBSA-N 0 0 345.387 0.792 10 0 ECAERN C[C@@H]1CN(CN2CC[C@@](C)(Cc3ccccc3)C2=O)C[C@@H](C(N)=O)O1 ZINC000188703377 609128990 /nfs/dbraw/zinc/12/89/90/609128990.db2.gz DMZNUNLLDTUDQR-ALKREAHSSA-N 0 0 345.443 1.000 10 0 ECAERN COCCN1CCN(C(=O)N[C@@H](C)c2nnnn2C2CC2)C[C@@H]1C ZINC000188807919 609129562 /nfs/dbraw/zinc/12/95/62/609129562.db2.gz PKUAGLHDKQCADK-RYUDHWBXSA-N 0 0 337.428 0.431 10 0 ECAERN CN(C)c1cccnc1C(=O)N1CCC[C@](O)(C(=O)N2CCCC2)C1 ZINC000908107415 609644551 /nfs/dbraw/zinc/64/45/51/609644551.db2.gz JYDDVOAUXYWDMC-GOSISDBHSA-N 0 0 346.431 0.737 10 0 ECAERN CN(C)C(=O)CNC(=O)CCn1c2ccccc2nc(N(C)C)c1=O ZINC000222859063 609705314 /nfs/dbraw/zinc/70/53/14/609705314.db2.gz DNTAZYZIPRINCP-UHFFFAOYSA-N 0 0 345.403 0.057 10 0 ECAERN Cc1nc(CC(=O)N2CCN(c3ccccn3)CC2)c(C)c(=O)n1C ZINC000222927520 609706341 /nfs/dbraw/zinc/70/63/41/609706341.db2.gz XVYMUBRVGNGVFU-UHFFFAOYSA-N 0 0 341.415 0.683 10 0 ECAERN C[C@@]1(c2cccc(Cl)c2)NC(=O)N(CCC(=O)NC(N)=O)C1=O ZINC000058289916 609726346 /nfs/dbraw/zinc/72/63/46/609726346.db2.gz QEJFKKYBPJKKND-AWEZNQCLSA-N 0 0 338.751 0.692 10 0 ECAERN CCN1C(=O)[C@@H]2CC3(CN2C1=O)CCN(C(=O)c1nccn1C)CC3 ZINC000169787241 609746196 /nfs/dbraw/zinc/74/61/96/609746196.db2.gz BFLQUHKJAZLFIA-LBPRGKRZSA-N 0 0 345.403 0.699 10 0 ECAERN COCCCn1c(C)cnc1[C@H]1CCN(C(=O)NCC(=O)OC)C1 ZINC000169788046 609746504 /nfs/dbraw/zinc/74/65/04/609746504.db2.gz IAZIBPOJKLNGMT-ZDUSSCGKSA-N 0 0 338.408 0.900 10 0 ECAERN CC(C)CN1C(=O)C(=O)N(CN2CCC[C@@H]2c2cnn(C)c2)C1=O ZINC000171361877 609760273 /nfs/dbraw/zinc/76/02/73/609760273.db2.gz RPGKTWNPNUUJLL-CYBMUJFWSA-N 0 0 333.392 0.961 10 0 ECAERN COC[C@H](C)C(=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000171946915 609766266 /nfs/dbraw/zinc/76/62/66/609766266.db2.gz MUKWYFBPTLOVBW-VIFPVBQESA-N 0 0 346.371 0.947 10 0 ECAERN Cc1cc(-n2c(C)cn(CN3CC[C@H](N4CCOCC4)C3)c2=O)no1 ZINC000172960406 609777313 /nfs/dbraw/zinc/77/73/13/609777313.db2.gz WDYSKANMFWCMJI-HNNXBMFYSA-N 0 0 347.419 0.608 10 0 ECAERN Cc1cc(C)n(C[C@@H]2CN(CN3C(=O)CC(C)(C)C3=O)CCO2)n1 ZINC000152878430 609886340 /nfs/dbraw/zinc/88/63/40/609886340.db2.gz NXOGHCVXDRVOJY-AWEZNQCLSA-N 0 0 334.420 0.943 10 0 ECAERN COc1ccccc1N1C[C@@H](C(=O)N2CCOC[C@H]2CO)CC1=O ZINC000912428972 609955036 /nfs/dbraw/zinc/95/50/36/609955036.db2.gz YOBRHOSALKAIOC-QWHCGFSZSA-N 0 0 334.372 0.268 10 0 ECAERN O=C([C@@H]1CC(=O)N(c2ccc(F)c(F)c2)C1)N1CCOC[C@H]1CO ZINC000912418981 609956850 /nfs/dbraw/zinc/95/68/50/609956850.db2.gz YWAHOYBDPZBSLM-ZYHUDNBSSA-N 0 0 340.326 0.537 10 0 ECAERN Cc1nc(COc2ccc(C(=O)N3CCOC[C@H]3CO)cc2)no1 ZINC000912428266 609958704 /nfs/dbraw/zinc/95/87/04/609958704.db2.gz RNFCUKSQUHNLEM-CYBMUJFWSA-N 0 0 333.344 0.790 10 0 ECAERN COC1(OC)CCOC[C@H]1NC(=O)C1C[C@H]2CSC[C@@H](C1)C2=O ZINC000912857968 610013783 /nfs/dbraw/zinc/01/37/83/610013783.db2.gz ZHZOPZBJQZZNPR-PSEXLTFBSA-N 0 0 343.445 0.839 10 0 ECAERN COC(=O)[C@@H]1CC(=O)N(CN2CCC[C@H](Cc3noc(C)n3)C2)C1 ZINC000181369114 610173780 /nfs/dbraw/zinc/17/37/80/610173780.db2.gz UESDTDXDQUJBOO-CHWSQXEVSA-N 0 0 336.392 0.612 10 0 ECAERN Cc1cc(N2CCC[C@H](N[C@@H]3CCCS(=O)(=O)C3)C2=O)n(C)n1 ZINC000182341556 610292971 /nfs/dbraw/zinc/29/29/71/610292971.db2.gz UZRJYWKWOAFGLZ-OLZOCXBDSA-N 0 0 340.449 0.391 10 0 ECAERN CC(C)(C)[C@]1(C)NC(=O)N(CN2CC[C@H](N3CCOCC3)C2)C1=O ZINC000193315031 612220800 /nfs/dbraw/zinc/22/08/00/612220800.db2.gz SBJHFFAXXINYBK-SUMWQHHRSA-N 0 0 338.452 0.707 10 0 ECAERN CC(=O)N1CSC[C@@H]1C(=O)N[C@H]1CCc2nnc(C(C)C)n2C1 ZINC000195286443 612373610 /nfs/dbraw/zinc/37/36/10/612373610.db2.gz UJOJIWZTNQYAHC-NWDGAFQWSA-N 0 0 337.449 0.754 10 0 ECAERN Cn1cc(C[C@@H]2CC(=O)N(CN3CCO[C@@H]4CCCC[C@H]43)C2=O)cn1 ZINC000245435615 612584678 /nfs/dbraw/zinc/58/46/78/612584678.db2.gz QNWVMYFVXNVADJ-BZUAXINKSA-N 0 0 346.431 0.939 10 0 ECAERN O=S1(=O)CCNC[C@H]1CCNc1ccncc1Br ZINC000721714467 741541945 /nfs/dbraw/zinc/54/19/45/741541945.db2.gz DTQNOHAFWYPUPJ-SECBINFHSA-N 0 0 334.239 0.455 10 0 ECAERN Cn1ccnc1[C@@H]1CN([C@H]2CCN(C3CCOCC3)C2=O)CCN1C ZINC000329893841 741616641 /nfs/dbraw/zinc/61/66/41/741616641.db2.gz BACCJUNBOAYVEX-HOTGVXAUSA-N 0 0 347.463 0.489 10 0 ECAERN CC(C)N(C)C(=O)C1CCN(C(=O)CN2CCOC[C@@H]2C)CC1 ZINC000051687813 214100291 /nfs/dbraw/zinc/10/02/91/214100291.db2.gz OAUXSNDVSDXRHF-AWEZNQCLSA-N 0 0 325.453 0.813 10 0 ECAERN COC(=O)CN(C)C(=O)C[C@H]1C(=O)NCCN1Cc1cccs1 ZINC000055132920 214277477 /nfs/dbraw/zinc/27/74/77/214277477.db2.gz YNGOQUWHFXKWJY-LBPRGKRZSA-N 0 0 339.417 0.070 10 0 ECAERN C[C@H](CNC(=O)c1cn(CC(=O)C(C)(C)C)nn1)N1CCOCC1 ZINC000174590016 231250464 /nfs/dbraw/zinc/25/04/64/231250464.db2.gz MJLCDXURAZMYSJ-GFCCVEGCSA-N 0 0 337.424 0.344 10 0 ECAERN CS(=O)(=O)CC[C@H](NC(=O)CC[NH+]1CCCCCC1)C(=O)[O-] ZINC000049474589 214011505 /nfs/dbraw/zinc/01/15/05/214011505.db2.gz CGPBLNNIYWHDJU-LBPRGKRZSA-N 0 0 334.438 0.257 10 0 ECAERN CCc1nc(C2(NCCc3cn(CC(=O)OC)nn3)CCCC2)no1 ZINC000154119732 529731458 /nfs/dbraw/zinc/73/14/58/529731458.db2.gz XEWXEGMZNDYFBT-UHFFFAOYSA-N 0 0 348.407 0.998 10 0 ECAERN CCc1nc2cc(NC(=O)C(=O)N3CC(NC(C)=O)C3)ccc2o1 ZINC000191347493 529748002 /nfs/dbraw/zinc/74/80/02/529748002.db2.gz WNFUOBXDSAKGTO-UHFFFAOYSA-N 0 0 330.344 0.676 10 0 ECAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)N1CCCN(CC)C(=O)C1 ZINC000189896587 529750337 /nfs/dbraw/zinc/75/03/37/529750337.db2.gz RADTURNJLBYRMR-GFCCVEGCSA-N 0 0 334.424 0.939 10 0 ECAERN CN1CCO[C@@H](CNC(=O)C(=O)Nc2cccc(-c3ncco3)c2)C1 ZINC000153180031 529783092 /nfs/dbraw/zinc/78/30/92/529783092.db2.gz YLGMSVSUVZDOHY-AWEZNQCLSA-N 0 0 344.371 0.727 10 0 ECAERN CN1CCO[C@@H](CNC(=O)C(=O)Nc2ccc(-c3ncco3)cc2)C1 ZINC000153820099 529783106 /nfs/dbraw/zinc/78/31/06/529783106.db2.gz NUOUSEZWLZMGMP-AWEZNQCLSA-N 0 0 344.371 0.727 10 0 ECAERN Cc1nc2c(cnn2C)c(N2CCN(Cc3ncnn3C)CC2)n1 ZINC000177137987 231805542 /nfs/dbraw/zinc/80/55/42/231805542.db2.gz MKICKBWBTYHJSD-UHFFFAOYSA-N 0 0 327.396 0.122 10 0 ECAERN CNC(=O)C(C)(C)CNC(=O)N[C@H]1CCc2nnc(C(C)C)n2C1 ZINC000181666331 529838839 /nfs/dbraw/zinc/83/88/39/529838839.db2.gz YZVHXQRKJCIPFU-NSHDSACASA-N 0 0 336.440 0.788 10 0 ECAERN C[C@H]1O[C@@H](n2cc(C=Cc3ccccc3)c(=O)[nH]c2=O)[C@H](O)[C@@H]1O ZINC000049110612 213987997 /nfs/dbraw/zinc/98/79/97/213987997.db2.gz OPSYCUUFIUHPOB-VJENOTOJSA-N 0 0 330.340 0.346 10 0 ECAERN CNC(=O)CNC(=O)NC[C@@H](c1cccs1)N1CCO[C@H](C)C1 ZINC000178455024 529863874 /nfs/dbraw/zinc/86/38/74/529863874.db2.gz PBKJXFSKKNKDDA-NEPJUHHUSA-N 0 0 340.449 0.555 10 0 ECAERN CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1ccc(F)c(F)c1F ZINC000166883122 529923159 /nfs/dbraw/zinc/92/31/59/529923159.db2.gz VKNAZWORKXKBRP-SECBINFHSA-N 0 0 329.278 0.779 10 0 ECAERN C[C@@H](CNS(=O)(=O)Cc1ccc(Cl)nc1)N1CCOCC1 ZINC000101571202 219140468 /nfs/dbraw/zinc/14/04/68/219140468.db2.gz FYEALBPIOIYVTB-NSHDSACASA-N 0 0 333.841 0.875 10 0 ECAERN CNS(=O)(=O)c1cc(C(=O)N2CCC[C@H]2c2cnn(C)c2)co1 ZINC000130484663 530025133 /nfs/dbraw/zinc/02/51/33/530025133.db2.gz CBKJKLZZWRAQGE-LBPRGKRZSA-N 0 0 338.389 0.899 10 0 ECAERN Cc1nonc1OCCNC(=O)c1cc2n(n1)CCN(C(C)C)C2 ZINC000065464938 214919660 /nfs/dbraw/zinc/91/96/60/214919660.db2.gz COJFMTDKKOGRNW-UHFFFAOYSA-N 0 0 334.380 0.607 10 0 ECAERN Cc1csc([C@H]2CN(Cc3nc(N)nc(N(C)C)n3)CCO2)n1 ZINC000103473199 219305106 /nfs/dbraw/zinc/30/51/06/219305106.db2.gz QRBIXDMPZHLIGW-SNVBAGLBSA-N 0 0 335.437 0.858 10 0 ECAERN Nc1ccc(Br)cc1S(=O)(=O)N[C@@H]1CCC(=O)NC1 ZINC000104338478 219375584 /nfs/dbraw/zinc/37/55/84/219375584.db2.gz UGZXZLZOLBFLMJ-MRVPVSSYSA-N 0 0 348.222 0.588 10 0 ECAERN CCOc1cc(C)nc(N2CCN(C(=O)Cn3cccn3)CC2)n1 ZINC000105820219 219541775 /nfs/dbraw/zinc/54/17/75/219541775.db2.gz NWANXMZMDHOFFN-UHFFFAOYSA-N 0 0 330.392 0.729 10 0 ECAERN CCCS(=O)(=O)CCN1CCN(c2nccc(OCC)n2)CC1 ZINC000105868616 219568864 /nfs/dbraw/zinc/56/88/64/219568864.db2.gz FGWCCDCBHMPRBP-UHFFFAOYSA-N 0 0 342.465 0.822 10 0 ECAERN COCC(=O)NC1CN(C(=O)c2ccc(-n3nc(C)cc3C)nc2)C1 ZINC000185217488 235616139 /nfs/dbraw/zinc/61/61/39/235616139.db2.gz IOLBLZPAVLLPBF-UHFFFAOYSA-N 0 0 343.387 0.471 10 0 ECAERN COCC(=O)NC1CN(C(=O)NCCc2csc(C(C)C)n2)C1 ZINC000185335819 235642230 /nfs/dbraw/zinc/64/22/30/235642230.db2.gz XIMSVPYAFWKZDK-UHFFFAOYSA-N 0 0 340.449 0.965 10 0 ECAERN COCCNC(=O)CN(C)S(=O)(=O)c1cnc(Cl)s1 ZINC000037985946 213185154 /nfs/dbraw/zinc/18/51/54/213185154.db2.gz UFXVELDUJQNMCP-UHFFFAOYSA-N 0 0 327.815 0.180 10 0 ECAERN O=C(NC1CN(S(=O)(=O)c2ccc(C(F)(F)F)nc2)C1)C1CC1 ZINC000187929534 236345815 /nfs/dbraw/zinc/34/58/15/236345815.db2.gz LCCMAYRPJXTREH-UHFFFAOYSA-N 0 0 349.334 1.000 10 0 ECAERN NC(=O)[C@H]1COCCN1C[C@@H](O)Cc1ccccc1C(F)(F)F ZINC000179726924 283356778 /nfs/dbraw/zinc/35/67/78/283356778.db2.gz QYQNBLXYQXRKTO-WCQYABFASA-N 0 0 332.322 0.795 10 0 ECAERN NC(=O)c1cc2c(s1)CCN(C(=O)[C@H]1NCCc3nc[nH]c31)C2 ZINC000072474759 283368412 /nfs/dbraw/zinc/36/84/12/283368412.db2.gz DREQKXYJFXHCKH-ZDUSSCGKSA-N 0 0 331.401 0.342 10 0 ECAERN O=C(NC[C@@H](O)CN1CCOCC1)C(=O)c1ccc(Cl)cc1 ZINC000106493068 219650552 /nfs/dbraw/zinc/65/05/52/219650552.db2.gz INRKHYINCLHUGI-CYBMUJFWSA-N 0 0 326.780 0.332 10 0 ECAERN CSc1nc2nc(C)c3c(ccn(-c4nnc(C)[nH]4)c3=O)n2n1 ZINC000072449658 216238755 /nfs/dbraw/zinc/23/87/55/216238755.db2.gz IBEYBHCZKNCJNE-UHFFFAOYSA-N 0 0 328.361 0.885 10 0 ECAERN CCN1CCN(C(=O)c2nnc3nc(C(F)(F)F)nn3c2C)CC1 ZINC000072452973 216239676 /nfs/dbraw/zinc/23/96/76/216239676.db2.gz LWHFMYIBDGHJAO-UHFFFAOYSA-N 0 0 343.313 0.624 10 0 ECAERN CCn1cc(NC(=O)C(=O)N2CCC(Nc3cccnn3)CC2)cn1 ZINC000130904282 223185763 /nfs/dbraw/zinc/18/57/63/223185763.db2.gz YUROEYWXIKMDBK-UHFFFAOYSA-N 0 0 343.391 0.735 10 0 ECAERN CCn1nnnc1-c1ccc(OC)c(S(=O)(=O)NCCOC)c1 ZINC000026532256 212524282 /nfs/dbraw/zinc/52/42/82/212524282.db2.gz KWJWOYYZBXCXJK-UHFFFAOYSA-N 0 0 341.393 0.293 10 0 ECAERN CCN1CCN(S(=O)(=O)Cc2cccc(C(N)=S)c2)CC1 ZINC000038005225 213187267 /nfs/dbraw/zinc/18/72/67/213187267.db2.gz MNXDQOFEOSJYDG-UHFFFAOYSA-N 0 0 327.475 0.788 10 0 ECAERN CCn1cc([C@H]2CN(C(=O)CCCS(C)(=O)=O)CCO2)cn1 ZINC000191788219 239298046 /nfs/dbraw/zinc/29/80/46/239298046.db2.gz OODRRCVDZUMZMG-CYBMUJFWSA-N 0 0 329.422 0.628 10 0 ECAERN COC(=O)[C@@H]1CCCCN1C(=O)Cc1c(C)nc2cc(=O)[nH]n2c1C ZINC000171910938 291316977 /nfs/dbraw/zinc/31/69/77/291316977.db2.gz RFQDHVGXDQVEMO-ZDUSSCGKSA-N 0 0 346.387 0.736 10 0 ECAERN Cc1cc(N2CCC[C@H](NC(=O)NCCCCCO)C2=O)n(C)n1 ZINC000193084805 240010813 /nfs/dbraw/zinc/01/08/13/240010813.db2.gz UDOHVSYJAQCQIK-ZDUSSCGKSA-N 0 0 337.424 0.686 10 0 ECAERN Cc1nn(-c2ccccc2)cc1C(=O)NC[C@H](O)CN1CCOCC1 ZINC000132469383 223334011 /nfs/dbraw/zinc/33/40/11/223334011.db2.gz VUKAZJMCWGRLAE-INIZCTEOSA-N 0 0 344.415 0.604 10 0 ECAERN CCCCOC[C@H](O)Cn1c(=O)c(F)cn([C@@H]2CCCO2)c1=O ZINC000193385503 240141133 /nfs/dbraw/zinc/14/11/33/240141133.db2.gz AHZVXSQCDDHTHI-YPMHNXCESA-N 0 0 330.356 0.636 10 0 ECAERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1cnn(C2CCCC2)c1C ZINC000193558244 240212344 /nfs/dbraw/zinc/21/23/44/240212344.db2.gz KQIMQBNJZHYVPC-AWEZNQCLSA-N 0 0 347.419 0.982 10 0 ECAERN O=C([C@H]1CC(=O)N(C2CCCC2)C1)N1CC[C@@H](N2CCOCC2)C1 ZINC000172748302 296091219 /nfs/dbraw/zinc/09/12/19/296091219.db2.gz BDBPBJHWJJAHRE-GOEBONIOSA-N 0 0 335.448 0.711 10 0 ECAERN Cc1cn([C@@H]2C[C@@H](O)[C@@H](CO)O2)c(=O)nc1NC(=O)c1ccccc1 ZINC000229810743 242202153 /nfs/dbraw/zinc/20/21/53/242202153.db2.gz VYJDMDIVDHHLGK-MCIONIFRSA-N 0 0 345.355 0.445 10 0 ECAERN C[C@H](O)CN1CCN(S(=O)(=O)c2ccc(Cl)nc2)C[C@H]1C ZINC000246212151 243213019 /nfs/dbraw/zinc/21/30/19/243213019.db2.gz SCGVLKQDMPGHQW-MNOVXSKESA-N 0 0 333.841 0.811 10 0 ECAERN CC1=NCCN1C(=O)c1ccc(N2C(=O)[C@H](C)CS2(=O)=O)cc1 ZINC000020173829 212109745 /nfs/dbraw/zinc/10/97/45/212109745.db2.gz ICHWERLLVQPBHE-SNVBAGLBSA-N 0 0 335.385 0.873 10 0 ECAERN Cn1c(=O)oc2cc(NC(=O)C(=O)NC[C@@H]3CCCC[C@@H]3O)ccc21 ZINC000077938851 217004002 /nfs/dbraw/zinc/00/40/02/217004002.db2.gz LNAOTAUANOTNAV-GWCFXTLKSA-N 0 0 347.371 0.737 10 0 ECAERN C[N@@H+](CC(=O)[O-])C[C@@H]1CN(C(=O)C2=Cc3ccccc3OC2)CCO1 ZINC000262948322 245266761 /nfs/dbraw/zinc/26/67/61/245266761.db2.gz OGIORJUXURTEAV-OAHLLOKOSA-N 0 0 346.383 0.706 10 0 ECAERN COc1cc(C(=O)N2CCO[C@@H](C[N@H+](C)CC(=O)[O-])C2)ccc1C ZINC000262907983 245245009 /nfs/dbraw/zinc/24/50/09/245245009.db2.gz JDRBEUJLGMPPDL-AWEZNQCLSA-N 0 0 336.388 0.861 10 0 ECAERN C[N@@H+](CC(=O)[O-])C[C@H]1CN(C(=O)[C@H]2Cc3ccccc3O2)CCO1 ZINC000262979072 245282282 /nfs/dbraw/zinc/28/22/82/245282282.db2.gz TXNSILSGIDXAEE-DZGCQCFKSA-N 0 0 334.372 0.234 10 0 ECAERN CCOC(=O)CN(C)C(=O)CN1CCc2c(nc(C(C)C)n2C)C1 ZINC000111229845 220118424 /nfs/dbraw/zinc/11/84/24/220118424.db2.gz GIBHRGFKDHHUKA-UHFFFAOYSA-N 0 0 336.436 0.923 10 0 ECAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)NCc3cnn(C)c3)CCO2)n1 ZINC000111838196 220203572 /nfs/dbraw/zinc/20/35/72/220203572.db2.gz XRWXXTLDSITYGU-HNNXBMFYSA-N 0 0 332.408 0.844 10 0 ECAERN C[C@H](O)C1CCN(C(=O)C(=O)Nc2ccc3c(c2)oc(=O)n3C)CC1 ZINC000111920893 220224179 /nfs/dbraw/zinc/22/41/79/220224179.db2.gz VFUIGSMCXDNLPH-JTQLQIEISA-N 0 0 347.371 0.689 10 0 ECAERN CCOCCO[C@@H](C)C(=O)N1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000112065154 220237404 /nfs/dbraw/zinc/23/74/04/220237404.db2.gz ACHQHURSQNWWDY-GJZGRUSLSA-N 0 0 325.409 0.861 10 0 ECAERN CCCNC(=O)CCNC(=O)N1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000112109076 220243908 /nfs/dbraw/zinc/24/39/08/220243908.db2.gz GRHOGSXNPOMRJZ-AWEZNQCLSA-N 0 0 337.424 0.518 10 0 ECAERN Cc1cc(CN(C)C(=O)C[C@@H]2C(=O)NCCN2CC(C)(C)C)[nH]n1 ZINC000012299733 211337123 /nfs/dbraw/zinc/33/71/23/211337123.db2.gz ROWPGEMTNZDAIG-CQSZACIVSA-N 0 0 335.452 0.913 10 0 ECAERN COCCNC(=O)c1ccc(N2C(=O)C(C)(C)CS2(=O)=O)cc1 ZINC000012022422 211279661 /nfs/dbraw/zinc/27/96/61/211279661.db2.gz SPKWXARCGKTJRX-UHFFFAOYSA-N 0 0 340.401 0.765 10 0 ECAERN NC(=O)[C@@H]1COCCN1CC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000092230351 218127857 /nfs/dbraw/zinc/12/78/57/218127857.db2.gz TVEQKKIOVSRYMM-NSHDSACASA-N 0 0 331.294 0.830 10 0 ECAERN NC(=O)[C@H]1COCCN1CC(=O)Nc1ccccc1C(F)(F)F ZINC000092231093 218127977 /nfs/dbraw/zinc/12/79/77/218127977.db2.gz VBOBGUNOXCFZSO-LLVKDONJSA-N 0 0 331.294 0.830 10 0 ECAERN CC(C)CC(=O)Nc1nnc(S(=O)(=O)N2CCOCC2)s1 ZINC000006817827 210720788 /nfs/dbraw/zinc/72/07/88/210720788.db2.gz JLAISUYCYJZFPN-UHFFFAOYSA-N 0 0 334.423 0.544 10 0 ECAERN O=C(Cn1ccc(=O)c2ccccc21)N1CC[C@H](N2CCOCC2)C1 ZINC000172746926 207656444 /nfs/dbraw/zinc/65/64/44/207656444.db2.gz DFVKPADVRYWHSY-HNNXBMFYSA-N 0 0 341.411 0.935 10 0 ECAERN C[C@@H](NC(=O)C1=NN(CCO)C(=O)CC1)c1nc2ccccc2[nH]1 ZINC000136400304 533043719 /nfs/dbraw/zinc/04/37/19/533043719.db2.gz HNBMBKHTOKMZHQ-SNVBAGLBSA-N 0 0 329.360 0.711 10 0 ECAERN C[C@@H](NC(=O)CN1CC(=O)NC1=O)c1cccc(-n2ccnc2)c1 ZINC000173937277 533071776 /nfs/dbraw/zinc/07/17/76/533071776.db2.gz DNIKZHWAYAZTNA-LLVKDONJSA-N 0 0 327.344 0.601 10 0 ECAERN O=C(CN1C(=O)c2ccccc2C1=O)N[C@H]1CCc2ncnn2C1 ZINC000112647862 220362902 /nfs/dbraw/zinc/36/29/02/220362902.db2.gz NQBBLFLWHPMROU-JTQLQIEISA-N 0 0 325.328 0.005 10 0 ECAERN Cc1ccc(CCC(=O)NCC(=O)N[C@@H]2CCc3ncnn3C2)cc1 ZINC000112650605 220363784 /nfs/dbraw/zinc/36/37/84/220363784.db2.gz QDOGOTMCARWCQD-OAHLLOKOSA-N 0 0 341.415 0.767 10 0 ECAERN O=C(CN1C(=O)CSc2ccccc21)N[C@H]1CCc2ncnn2C1 ZINC000112651741 220364080 /nfs/dbraw/zinc/36/40/80/220364080.db2.gz JVTBCSJRSZNOQA-NSHDSACASA-N 0 0 343.412 0.848 10 0 ECAERN O=C(N[C@H]1CCc2ncnn2C1)c1ccc(=O)n(-c2ccccc2)n1 ZINC000112658085 220366983 /nfs/dbraw/zinc/36/69/83/220366983.db2.gz YBGXVZMZFJJGFS-LBPRGKRZSA-N 0 0 336.355 0.569 10 0 ECAERN CCNC(=O)c1ccc(CNC(=O)N[C@@H]2CCc3ncnn3C2)cc1 ZINC000112742513 220392995 /nfs/dbraw/zinc/39/29/95/220392995.db2.gz KGBQZQLTHQQDBL-CQSZACIVSA-N 0 0 342.403 0.842 10 0 ECAERN COC(=O)C1(C(=O)N2CCN(C[C@H](O)c3ccccc3)CC2)CC1 ZINC000132072493 533166695 /nfs/dbraw/zinc/16/66/95/533166695.db2.gz USPNOWQHWUUMQU-HNNXBMFYSA-N 0 0 332.400 0.817 10 0 ECAERN CNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](c3cnn(C)c3)C2)cc1 ZINC000116228319 220943614 /nfs/dbraw/zinc/94/36/14/220943614.db2.gz LURIHZVRFPGAKP-CYBMUJFWSA-N 0 0 348.428 0.958 10 0 ECAERN Cn1cc([C@H]2CCN(C(=O)NCC(=O)NCC(F)(F)F)C2)cn1 ZINC000116423398 220960997 /nfs/dbraw/zinc/96/09/97/220960997.db2.gz OJNSCNZVSJUWAM-VIFPVBQESA-N 0 0 333.314 0.598 10 0 ECAERN COCCOCCNC(=O)N1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC000117034875 221025638 /nfs/dbraw/zinc/02/56/38/221025638.db2.gz BTFXTKHCBNTDFZ-OAHLLOKOSA-N 0 0 339.440 0.980 10 0 ECAERN CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCCn1cc(C)cn1 ZINC000117811895 221092366 /nfs/dbraw/zinc/09/23/66/221092366.db2.gz DVLIECQDKBDQMA-CQSZACIVSA-N 0 0 342.465 0.902 10 0 ECAERN Cc1cnn(CCNC(=O)CCN2C(=O)NC3(CCCC3)C2=O)c1 ZINC000117819090 221092675 /nfs/dbraw/zinc/09/26/75/221092675.db2.gz AXXXJDDNUKYKRC-UHFFFAOYSA-N 0 0 333.392 0.562 10 0 ECAERN COC[C@H](C)S(=O)(=O)N1CCN([C@H](C)c2nc(C)no2)CC1 ZINC000117921252 221099130 /nfs/dbraw/zinc/09/91/30/221099130.db2.gz LMDDIERTMIVHMT-WDEREUQCSA-N 0 0 332.426 0.421 10 0 ECAERN Cc1ccc2cccc(NC(=O)C(=O)NC[C@@H]3CN(C)CCO3)c2n1 ZINC000118115757 221120881 /nfs/dbraw/zinc/12/08/81/221120881.db2.gz ITZZWMWECNFDHY-CQSZACIVSA-N 0 0 342.399 0.929 10 0 ECAERN CC(C)N(C)c1cccc(NC(=O)C(=O)NC[C@@H]2CN(C)CCO2)c1 ZINC000118115769 221121507 /nfs/dbraw/zinc/12/15/07/221121507.db2.gz RUSLBICWAKNDOD-MRXNPFEDSA-N 0 0 348.447 0.917 10 0 ECAERN Cc1nnnn1[C@H](Cc1ccccc1)C(=O)NC[C@H]1CN(C)CCO1 ZINC000118323372 221139793 /nfs/dbraw/zinc/13/97/93/221139793.db2.gz RFXXKHFMWLFGNI-JKSUJKDBSA-N 0 0 344.419 0.212 10 0 ECAERN Cc1csc(CN2CC3(C2)OCC[C@@H]3CCNS(C)(=O)=O)n1 ZINC000247929794 257674259 /nfs/dbraw/zinc/67/42/59/257674259.db2.gz BUSWNEZSVKPVPR-LBPRGKRZSA-N 0 0 345.490 0.982 10 0 ECAERN O=C(c1ncccn1)N1CC2(C1)C[C@@H](Oc1ncccn1)CCO2 ZINC000247871891 257676181 /nfs/dbraw/zinc/67/61/81/257676181.db2.gz REHYLPGTPDJIQR-LBPRGKRZSA-N 0 0 327.344 0.719 10 0 ECAERN O=C(NC[C@@]12COC[C@@H]1CN(c1ncccn1)C2)c1cccnc1 ZINC000247509893 257682637 /nfs/dbraw/zinc/68/26/37/257682637.db2.gz SQADSRLUATVZIN-WMLDXEAASA-N 0 0 325.372 0.754 10 0 ECAERN Cc1nc2cncc(N3CCN(C(=O)[C@H]4CCCOC4)CC3)n2n1 ZINC000328629691 258030459 /nfs/dbraw/zinc/03/04/59/258030459.db2.gz INCUJDUJHCYPEP-ZDUSSCGKSA-N 0 0 330.392 0.508 10 0 ECAERN CN(C)c1ncccc1O[C@@H]1CCN(C(=O)CCn2cncn2)C1 ZINC000275389129 257994531 /nfs/dbraw/zinc/99/45/31/257994531.db2.gz AMOHAHLQMWNKOS-CYBMUJFWSA-N 0 0 330.392 0.809 10 0 ECAERN COC(=O)CCCS(=O)(=O)N1CCC[C@@H]1Cn1ccnc1C ZINC000173743950 533397538 /nfs/dbraw/zinc/39/75/38/533397538.db2.gz ZEXZKHLYIQMVHV-CYBMUJFWSA-N 0 0 329.422 0.939 10 0 ECAERN C[C@@H](O)C1CCN(C(=O)C(=O)Nc2ccccc2-n2ccnn2)CC1 ZINC000171791958 533579516 /nfs/dbraw/zinc/57/95/16/533579516.db2.gz XVEXNWZOCQZZFT-GFCCVEGCSA-N 0 0 343.387 0.825 10 0 ECAERN Cc1nn(C)c(C)c1CN1CCN(C(=O)c2c[nH]c(=O)cc2C)CC1 ZINC000130220563 296664277 /nfs/dbraw/zinc/66/42/77/296664277.db2.gz DSIDJLKRJOKGDP-UHFFFAOYSA-N 0 0 343.431 0.992 10 0 ECAERN CCO[C@@H]1C[C@@H](NS(=O)(=O)c2cnn(C)c2)C12CCOCC2 ZINC000185150109 286286994 /nfs/dbraw/zinc/28/69/94/286286994.db2.gz VXVUJYVTRMZEKK-CHWSQXEVSA-N 0 0 329.422 0.673 10 0 ECAERN CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1cnn(C2CCCC2)c1C ZINC000193572460 296724950 /nfs/dbraw/zinc/72/49/50/296724950.db2.gz KQIMQBNJZHYVPC-CQSZACIVSA-N 0 0 347.419 0.982 10 0 ECAERN NC(=O)CNC(=O)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000067509047 164577936 /nfs/dbraw/zinc/57/79/36/164577936.db2.gz MOSYUNKQSFHQMR-UDMGLPGGSA-N 0 0 333.432 0.795 10 0 ECAERN CC(C)[C@H](NC(=O)Cn1nnc(-c2ccc(Cl)cc2)n1)C(N)=O ZINC000081688463 164624837 /nfs/dbraw/zinc/62/48/37/164624837.db2.gz KPFAMOGNGWYINI-LBPRGKRZSA-N 0 0 336.783 0.620 10 0 ECAERN CCn1cc(NC(=O)C(=O)N2CCC(c3ccnn3C)CC2)cn1 ZINC000129989429 164689123 /nfs/dbraw/zinc/68/91/23/164689123.db2.gz RUAWNIWXQQDORW-UHFFFAOYSA-N 0 0 330.392 0.981 10 0 ECAERN Cc1noc([C@@H]2COCCN2C(=O)Cn2c(=O)[nH]c3ccccc32)n1 ZINC000155393879 164771783 /nfs/dbraw/zinc/77/17/83/164771783.db2.gz DLHBDMHZIIBGTA-ZDUSSCGKSA-N 0 0 343.343 0.621 10 0 ECAERN C[C@H]1CN(S(=O)(=O)N2CCC(c3ccnn3C)CC2)C[C@H](C)O1 ZINC000159311414 164797386 /nfs/dbraw/zinc/79/73/86/164797386.db2.gz LHKDUJVVAOVJKT-STQMWFEESA-N 0 0 342.465 0.954 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)Nc1ccc(C(N)=O)nc1)CC2 ZINC000163782608 164815332 /nfs/dbraw/zinc/81/53/32/164815332.db2.gz WFYRCLRIPDGHDT-JTQLQIEISA-N 0 0 329.364 0.471 10 0 ECAERN Cc1nn(C)c(=O)c(-c2nc(CN3CCC[C@@H]3C(N)=O)cs2)c1C ZINC000173212593 164853350 /nfs/dbraw/zinc/85/33/50/164853350.db2.gz DRCGFAUDHJDZBZ-GFCCVEGCSA-N 0 0 347.444 0.970 10 0 ECAERN Cc1ccc(CNC(=O)C2CCN(C(=O)[C@@H]3CNC(=O)C3)CC2)cc1 ZINC000176954602 164899471 /nfs/dbraw/zinc/89/94/71/164899471.db2.gz FDQBJJAPFMNIIH-INIZCTEOSA-N 0 0 343.427 0.986 10 0 ECAERN COc1cc(C(=O)N[C@@H]2CCCN(c3cc(C)nn3C)C2=O)on1 ZINC000183989188 164960966 /nfs/dbraw/zinc/96/09/66/164960966.db2.gz HMXMJZDIWDFRKS-SNVBAGLBSA-N 0 0 333.348 0.651 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1cc(OC(F)F)n(C)n1)CC2 ZINC000185574215 164974766 /nfs/dbraw/zinc/97/47/66/164974766.db2.gz UAGPYBOUVPNXHE-QMMMGPOBSA-N 0 0 340.334 0.920 10 0 ECAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CCN(c2cccc(C)c2)CC1 ZINC000188492515 164999430 /nfs/dbraw/zinc/99/94/30/164999430.db2.gz PAWVOKDYNUUKGP-IAGOWNOFSA-N 0 0 331.416 0.625 10 0 ECAERN C[C@@H](CNC(=O)N1CC(NC(=O)C2CCC2)C1)CN1CCOCC1 ZINC000188864374 165003174 /nfs/dbraw/zinc/00/31/74/165003174.db2.gz XAXQCFPERHIEQL-ZDUSSCGKSA-N 0 0 338.452 0.265 10 0 ECAERN Cc1nc(CN2CCCN(C(=O)NCCOCC(F)F)CC2)no1 ZINC000190272845 165019162 /nfs/dbraw/zinc/01/91/62/165019162.db2.gz OSPJPHDFKGCFGS-UHFFFAOYSA-N 0 0 347.366 0.877 10 0 ECAERN Cc1ccc(C(=O)NCCNC(=O)N2CCCNC(=O)[C@H]2C)cc1 ZINC000191383729 165030580 /nfs/dbraw/zinc/03/05/80/165030580.db2.gz RIXLISPNYVUICY-CYBMUJFWSA-N 0 0 332.404 0.645 10 0 ECAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1ccnn1Cc1ccc(F)cc1 ZINC000193142906 165053295 /nfs/dbraw/zinc/05/32/95/165053295.db2.gz NOSNVYISRPYHQH-HUUCEWRRSA-N 0 0 346.362 0.991 10 0 ECAERN CN1CCO[C@@H](CNC(=O)C2CCN(C(=O)N3CCCC3)CC2)C1 ZINC000194611589 165067899 /nfs/dbraw/zinc/06/78/99/165067899.db2.gz LRLBCACRUKXWIH-HNNXBMFYSA-N 0 0 338.452 0.361 10 0 ECAERN Cn1c2ccccc2n(CCC(=O)NC[C@H]2CN(C)CCO2)c1=O ZINC000194618615 165069920 /nfs/dbraw/zinc/06/99/20/165069920.db2.gz YFDFHTKOVOZONR-ZDUSSCGKSA-N 0 0 332.404 0.177 10 0 ECAERN CN1CCO[C@H](CNC(=O)CCn2cnc3sccc3c2=O)C1 ZINC000194612935 165070149 /nfs/dbraw/zinc/07/01/49/165070149.db2.gz GKQVFHYMXSJJDR-LLVKDONJSA-N 0 0 336.417 0.295 10 0 ECAERN CCCNC(=O)CN(C)C(=O)CN1CC[C@H](CNc2ccccn2)C1 ZINC000195515817 165083123 /nfs/dbraw/zinc/08/31/23/165083123.db2.gz ZOGJTWKJTFFZGL-OAHLLOKOSA-N 0 0 347.463 0.800 10 0 ECAERN CCn1ccnc1CS(=O)(=O)CC(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000195519830 165084268 /nfs/dbraw/zinc/08/42/68/165084268.db2.gz RRYKOCPGRHRXPL-VXGBXAGGSA-N 0 0 329.422 0.454 10 0 ECAERN C[C@@H](CNC(=O)N[C@@H](C)[C@H](C)N1CCOCC1)N1CCOCC1 ZINC000246361362 165130732 /nfs/dbraw/zinc/13/07/32/165130732.db2.gz FKDXEYCOIBJCLV-KKUMJFAQSA-N 0 0 328.457 0.116 10 0 ECAERN CCN1CCN(C(=O)[C@@H](C)N2CCO[C@@H](c3nnc(C)[nH]3)C2)CC1 ZINC000246846099 165144424 /nfs/dbraw/zinc/14/44/24/165144424.db2.gz DSSJJZBABVUFHM-TZMCWYRMSA-N 0 0 336.440 0.039 10 0 ECAERN C[C@@H]1CN([C@H](CNC(=O)[C@H]2CNC(=O)C2)c2cccs2)CCO1 ZINC000246999625 165150116 /nfs/dbraw/zinc/15/01/16/165150116.db2.gz RBHKUOVGIWWQSM-JHJVBQTASA-N 0 0 337.445 0.762 10 0 ECAERN CCOCCN1CCN([C@H](C)C(=O)NC(=O)NCC(C)C)C[C@H]1C ZINC000247075383 165153681 /nfs/dbraw/zinc/15/36/81/165153681.db2.gz GRIUESZMOSPIDY-HUUCEWRRSA-N 0 0 342.484 0.899 10 0 ECAERN COCCCNC(=O)[C@@H](C)N1CCO[C@@H](Cn2nc(C)cc2C)C1 ZINC000247394269 165161303 /nfs/dbraw/zinc/16/13/03/165161303.db2.gz XOLVFIZBOSWMNG-HZPDHXFCSA-N 0 0 338.452 0.742 10 0 ECAERN C[C@H](O)C[N@@H+]1CCN(C(=O)NCc2ccc(CO)c(F)c2)C[C@H]1C ZINC000248587483 165181101 /nfs/dbraw/zinc/18/11/01/165181101.db2.gz GJUIFECSXQUEFP-OLZOCXBDSA-N 0 0 339.411 0.915 10 0 ECAERN Cc1cnn([C@H]2CCCN(S(=O)(=O)[C@H](C)C(=O)N(C)C)C2)c1 ZINC000248749653 165187224 /nfs/dbraw/zinc/18/72/24/165187224.db2.gz BUOFVSVURHQYEI-OLZOCXBDSA-N 0 0 328.438 0.635 10 0 ECAERN C[NH2+][C@H](C)CNS(=O)(=O)c1cc(C)cc(S(C)(=O)=O)c1C ZINC000261623287 165217877 /nfs/dbraw/zinc/21/78/77/165217877.db2.gz BRNGSUBSAAHTFI-SNVBAGLBSA-N 0 0 334.463 0.593 10 0 ECAERN C[C@@H]1C[NH+](CCC2CCN(CC(=O)NCC(=O)[O-])CC2)C[C@@H](C)O1 ZINC000262259654 165318779 /nfs/dbraw/zinc/31/87/79/165318779.db2.gz RZICVRJLKGQAAU-ZIAGYGMSSA-N 0 0 341.452 0.399 10 0 ECAERN CNC(=O)c1ccc(N[C@H]2CCN(C(=O)c3ccccn3)C2)nn1 ZINC000301827361 296891809 /nfs/dbraw/zinc/89/18/09/296891809.db2.gz FPVVKNUJOXWHKP-NSHDSACASA-N 0 0 326.360 0.558 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)NCCCNC(=O)C(C)C)CC2 ZINC000124783110 222477422 /nfs/dbraw/zinc/47/74/22/222477422.db2.gz KDMMRVWYRNAOKZ-GFCCVEGCSA-N 0 0 336.440 0.617 10 0 ECAERN CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NC[C@H]1CN2CCN1CC2 ZINC000178970768 263155237 /nfs/dbraw/zinc/15/52/37/263155237.db2.gz WXTRTELSGRHGQC-UONOGXRCSA-N 0 0 338.452 0.502 10 0 ECAERN O=C(N[C@H](CO)c1cccc(Br)c1)[C@@H]1CNC(=O)C1 ZINC000181114261 263156350 /nfs/dbraw/zinc/15/63/50/263156350.db2.gz OFJFZDGNEYSONE-GXSJLCMTSA-N 0 0 327.178 0.735 10 0 ECAERN CCC(CC)C(=O)N1CCC(NC(=O)N2CC(NC(C)=O)C2)CC1 ZINC000189918983 263163776 /nfs/dbraw/zinc/16/37/76/263163776.db2.gz MBKHWXMNOMCSDE-UHFFFAOYSA-N 0 0 338.452 0.944 10 0 ECAERN CC[C@H](Nc1nnnn1-c1ccccc1)C(=O)N1CC(NC(C)=O)C1 ZINC000191496162 263165005 /nfs/dbraw/zinc/16/50/05/263165005.db2.gz RUUBSPXQTZFCBK-AWEZNQCLSA-N 0 0 343.391 0.200 10 0 ECAERN CCCc1nc(C)c(C(=O)NC[C@H](O)CN2CCOCC2)s1 ZINC000193198276 263166702 /nfs/dbraw/zinc/16/67/02/263166702.db2.gz SHKZTZIJCGMUOP-LBPRGKRZSA-N 0 0 327.450 0.827 10 0 ECAERN O=C(NC[C@@H](O)CN1CCOCC1)C(=O)c1ccc2c(c1)CCC2 ZINC000194244471 263168962 /nfs/dbraw/zinc/16/89/62/263168962.db2.gz AWHVIXMYSXAPQU-MRXNPFEDSA-N 0 0 332.400 0.167 10 0 ECAERN O[C@@]1(c2cn[nH]n2)CCN(c2cc(N3CCSCC3)ncn2)C1 ZINC000284450851 264214838 /nfs/dbraw/zinc/21/48/38/264214838.db2.gz GPASAZYDJIBIIR-AWEZNQCLSA-N 0 0 333.421 0.246 10 0 ECAERN CO[C@H]1C[C@@H](C(N)=O)N(c2cnn(Cc3ccccc3)c(=O)c2)C1 ZINC000284625831 264235480 /nfs/dbraw/zinc/23/54/80/264235480.db2.gz SWNUAPPWJDQBCF-GJZGRUSLSA-N 0 0 328.372 0.371 10 0 ECAERN CO[C@@H]1C[C@@H](CO)N(C(=O)c2nnn(Cc3ccc(F)cc3)c2C)C1 ZINC000284806214 264240091 /nfs/dbraw/zinc/24/00/91/264240091.db2.gz KXXJBRULVPEROH-LSDHHAIUSA-N 0 0 348.378 0.996 10 0 ECAERN NC(=O)[C@]1(O)CCCN(C(=O)c2cc(Br)ccc2O)C1 ZINC000285657093 264329970 /nfs/dbraw/zinc/32/99/70/264329970.db2.gz UTVGIILEVUWPKM-ZDUSSCGKSA-N 0 0 343.177 0.607 10 0 ECAERN CN(C)c1ccc(S(=O)(=O)N2CCO[C@H]3CCN(C)C[C@@H]32)cn1 ZINC000286671973 264414916 /nfs/dbraw/zinc/41/49/16/264414916.db2.gz KTPXZDMMHLMBAG-KBPBESRZSA-N 0 0 340.449 0.241 10 0 ECAERN CC(=O)NC1CN(C(=O)C[C@@H]2c3ccccc3CCN2C(C)=O)C1 ZINC000190499107 277025936 /nfs/dbraw/zinc/02/59/36/277025936.db2.gz PGFVYAFCANTTKJ-QGZVFWFLSA-N 0 0 329.400 0.869 10 0 ECAERN C[C@@H](C1CC1)n1cc(NC(=O)NC[C@H](O)CN2CCOCC2)cn1 ZINC000189731105 437607369 /nfs/dbraw/zinc/60/73/69/437607369.db2.gz YZGGOJDCFWUBHK-WFASDCNBSA-N 0 0 337.424 0.669 10 0 ECAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)c1nc2nc(C)cc(C)n2n1 ZINC000177713306 293512079 /nfs/dbraw/zinc/51/20/79/293512079.db2.gz HBEJCYLVAFPINI-NSHDSACASA-N 0 0 326.364 0.906 10 0 ECAERN COc1cc([C@H]2NC(=O)[C@@H]3COCCN32)c(Br)cc1O ZINC000093885037 295026090 /nfs/dbraw/zinc/02/60/90/295026090.db2.gz KFSGIYSYZRCEIV-CABZTGNLSA-N 0 0 343.177 0.993 10 0 ECAERN CN(C(=O)[C@H]1CC(=O)C[C@H]1C(=O)N(C)[C@H]1CCOC1)[C@@H]1CCOC1 ZINC000333405462 297131176 /nfs/dbraw/zinc/13/11/76/297131176.db2.gz CGUAJYPQOFJROX-IKARSPCKSA-N 0 0 338.404 0.076 10 0 ECAERN CC(C)[C@@H]1N(C(=O)N[C@H]2COC[C@H]2n2ccnn2)C[C@@]12CCCO2 ZINC000334101669 297164122 /nfs/dbraw/zinc/16/41/22/297164122.db2.gz WOLIIMHSWGHRGI-FQLMCAECSA-N 0 0 335.408 0.817 10 0 ECAERN COC[C@@H]1C[C@@H](OC)CN1Cc1nnnn1CC1CCOCC1 ZINC000344379301 298012569 /nfs/dbraw/zinc/01/25/69/298012569.db2.gz GMGWRSTWTXEXDL-UONOGXRCSA-N 0 0 325.413 0.335 10 0 ECAERN CC(=O)N1CCC[C@](O)(C(=O)N2CCN(Cc3ccccc3)CC2)C1 ZINC000345574841 298170194 /nfs/dbraw/zinc/17/01/94/298170194.db2.gz XMUHQXIOCCOJDR-LJQANCHMSA-N 0 0 345.443 0.704 10 0 ECAERN CC[C@@H]1CN(C(=O)[C@@H]2CSCN2C(C)=O)C[C@H]1N1CCOCC1 ZINC000363471454 300267592 /nfs/dbraw/zinc/26/75/92/300267592.db2.gz NSSXFHZEUNZFQO-KFWWJZLASA-N 0 0 341.477 0.477 10 0 ECAERN CO[C@H]1C[C@H](C(=O)N[C@@H]2C[C@@](C)(OC)C2(C)C)N(S(C)(=O)=O)C1 ZINC000366054927 300510390 /nfs/dbraw/zinc/51/03/90/300510390.db2.gz PKKWVEOTCXRTBL-FUTJPDQTSA-N 0 0 348.465 0.355 10 0 ECAERN CC(=O)N1CCOC[C@H]1C(=O)Nc1ccc(N2CCOCC2)nc1C ZINC000367036632 300588415 /nfs/dbraw/zinc/58/84/15/300588415.db2.gz HWANPMWPFOEDTG-HNNXBMFYSA-N 0 0 348.403 0.412 10 0 ECAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)NCc1cc(Cl)cc2c1OCC2 ZINC000372968823 301038913 /nfs/dbraw/zinc/03/89/13/301038913.db2.gz KKWDHAYLOXFYKL-UONOGXRCSA-N 0 0 338.791 0.873 10 0 ECAERN O=C(NCCN1CCN(Cc2nnnn2C2CC2)CC1)c1ccco1 ZINC000027284462 436173402 /nfs/dbraw/zinc/17/34/02/436173402.db2.gz HOMRWUGFEHYRTM-UHFFFAOYSA-N 0 0 345.407 0.149 10 0 ECAERN CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000377473299 301351783 /nfs/dbraw/zinc/35/17/83/301351783.db2.gz DCDMODVCKZQQLC-HZSPNIEDSA-N 0 0 346.449 0.902 10 0 ECAERN O=C(N[C@H]1CCC(=O)N[C@@H]1[C@@H]1CCCO1)C(F)(F)C1(O)CCC1 ZINC000377970416 301397360 /nfs/dbraw/zinc/39/73/60/301397360.db2.gz LWGWJOKHAXFMJN-NHCYSSNCSA-N 0 0 332.347 0.479 10 0 ECAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)c1ccccc1OCC(N)=O ZINC000081581959 436351959 /nfs/dbraw/zinc/35/19/59/436351959.db2.gz JKINMMNNMWDTFW-GFCCVEGCSA-N 0 0 329.360 0.716 10 0 ECAERN NS(=O)(=O)c1ccc(S(=O)(=O)NCC[C@@H]2CCCO2)cc1 ZINC000044315578 436340482 /nfs/dbraw/zinc/34/04/82/436340482.db2.gz HVZIYQMQPGEFFO-JTQLQIEISA-N 0 0 334.419 0.181 10 0 ECAERN C[C@@H](CNC(=O)N1CCC(NC(=O)C2CC2)CC1)N1CCOCC1 ZINC000046260638 436389938 /nfs/dbraw/zinc/38/99/38/436389938.db2.gz GFHSLWHSEQMIMR-ZDUSSCGKSA-N 0 0 338.452 0.407 10 0 ECAERN CN1C(=O)CC[C@H](C(=O)N2CCN(CCO)CC2)[C@@H]1c1ccccc1 ZINC000087083882 436397165 /nfs/dbraw/zinc/39/71/65/436397165.db2.gz SSHTVRHNSQOIOC-WMZOPIPTSA-N 0 0 345.443 0.733 10 0 ECAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)CNC(=O)Cc1ccccc1 ZINC000081814375 436356184 /nfs/dbraw/zinc/35/61/84/436356184.db2.gz BKGAZMTWVISNLG-AWEZNQCLSA-N 0 0 327.388 0.897 10 0 ECAERN CC(C)CNC(=O)NC(=O)[C@@H](C)N1CCCN(c2cccnn2)CC1 ZINC000105799393 436578725 /nfs/dbraw/zinc/57/87/25/436578725.db2.gz TUSFXNVLONEYBR-CQSZACIVSA-N 0 0 348.451 0.859 10 0 ECAERN Cc1ccc(N2CCCN(CC(=O)NC(=O)NC(C)(C)C)CC2)nn1 ZINC000105800698 436578929 /nfs/dbraw/zinc/57/89/29/436578929.db2.gz VKEDSRBTRMPUGJ-UHFFFAOYSA-N 0 0 348.451 0.921 10 0 ECAERN CCCNC(=O)CNS(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C ZINC000054796527 436558747 /nfs/dbraw/zinc/55/87/47/436558747.db2.gz NSACRFTYWNUPIT-NHYWBVRUSA-N 0 0 330.450 0.827 10 0 ECAERN CN1CCO[C@H](CNC(=O)NCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000104797851 436562173 /nfs/dbraw/zinc/56/21/73/436562173.db2.gz CGSQWDGIXACRBD-CYBMUJFWSA-N 0 0 340.811 0.908 10 0 ECAERN CN1CCO[C@H](CNC(=O)NCc2cccc(N3CCCC3=O)c2)C1 ZINC000104783196 436562265 /nfs/dbraw/zinc/56/22/65/436562265.db2.gz JAAXOZBASADMSW-MRXNPFEDSA-N 0 0 346.431 0.943 10 0 ECAERN CN(C)C(=O)c1ccc(CNC(=O)NC[C@H]2CN(C)CCO2)cc1 ZINC000104786712 436564049 /nfs/dbraw/zinc/56/40/49/436564049.db2.gz LWNSTMCJGOWUGL-HNNXBMFYSA-N 0 0 334.420 0.518 10 0 ECAERN CN1CCO[C@@H](CNC(=O)N2CCN(C(=O)c3ccccc3)CC2)C1 ZINC000105280240 436573015 /nfs/dbraw/zinc/57/30/15/436573015.db2.gz GVBCERYMYMMAGL-INIZCTEOSA-N 0 0 346.431 0.485 10 0 ECAERN CCC[C@H](C)NC(=O)[C@@H](C)N1CCN(c2ccc3nncn3n2)CC1 ZINC000105817083 436580698 /nfs/dbraw/zinc/58/06/98/436580698.db2.gz OTKIDUSLTMBGGK-UONOGXRCSA-N 0 0 345.451 0.940 10 0 ECAERN Cc1cnn([C@@H]2CCCN(C(=O)CCC(=O)N3CCOCC3)C2)c1 ZINC000105857725 436581715 /nfs/dbraw/zinc/58/17/15/436581715.db2.gz DSWZJBNALJHRRQ-OAHLLOKOSA-N 0 0 334.420 0.994 10 0 ECAERN O=C(CNC(=O)c1ccccc1)N1CCCN(c2cccnn2)CC1 ZINC000105867917 436583815 /nfs/dbraw/zinc/58/38/15/436583815.db2.gz GUVDWWAZMMBYFP-UHFFFAOYSA-N 0 0 339.399 0.945 10 0 ECAERN COCCCNC(=O)[C@H](C)N1CCO[C@@H](Cn2nc(C)cc2C)C1 ZINC000105893578 436585459 /nfs/dbraw/zinc/58/54/59/436585459.db2.gz XOLVFIZBOSWMNG-JKSUJKDBSA-N 0 0 338.452 0.742 10 0 ECAERN C[C@H](C(=O)NC[C@@H]1CCCO1)N1CCCN(c2cccnn2)CC1 ZINC000105909153 436586699 /nfs/dbraw/zinc/58/66/99/436586699.db2.gz ZREDIBDVMVWNIN-CABCVRRESA-N 0 0 333.436 0.672 10 0 ECAERN C[C@@H](C(=O)N1CCCC1)N1CCN(C[C@H](O)COC(C)(C)C)CC1 ZINC000105921890 436587637 /nfs/dbraw/zinc/58/76/37/436587637.db2.gz ZYOZMZWVSMMQFM-HOTGVXAUSA-N 0 0 341.496 0.791 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)[C@H]2Cc3ccccc3C(=O)O2)CC1 ZINC000106397988 436593403 /nfs/dbraw/zinc/59/34/03/436593403.db2.gz IOSUNHNBCGJSSW-GOEBONIOSA-N 0 0 332.400 0.683 10 0 ECAERN O=C(NC[C@H](O)CN1CCOCC1)C(=O)c1ccc(Cl)cc1 ZINC000106493065 436595836 /nfs/dbraw/zinc/59/58/36/436595836.db2.gz INRKHYINCLHUGI-ZDUSSCGKSA-N 0 0 326.780 0.332 10 0 ECAERN CCOCC[N@@H+]1CCN(Cc2cc(=O)n3[n-]ccc3n2)C[C@H]1CC ZINC000108867480 436621077 /nfs/dbraw/zinc/62/10/77/436621077.db2.gz KADAIWYRZXAGMC-OAHLLOKOSA-N 0 0 333.436 0.955 10 0 ECAERN C[C@H](CNC(=O)N1CCO[C@@H](Cn2cccn2)C1)Cn1cccn1 ZINC000111837236 436632644 /nfs/dbraw/zinc/63/26/44/436632644.db2.gz RVKJSJHHCBXDHM-HUUCEWRRSA-N 0 0 332.408 0.826 10 0 ECAERN COc1ccc2c(c1)OC[C@@H](C(=O)N[C@H]1CCc3ncnn3C1)C2 ZINC000112648803 436632939 /nfs/dbraw/zinc/63/29/39/436632939.db2.gz KXWXBZGTWVCPLZ-STQMWFEESA-N 0 0 328.372 0.969 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)c1nc3ccccc3c(=O)[nH]1)CC2 ZINC000114875409 436644438 /nfs/dbraw/zinc/64/44/38/436644438.db2.gz DMBCWKWBQCNRQR-SNVBAGLBSA-N 0 0 338.371 0.822 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)N1CCC3(CC1)OCCO3)CC2 ZINC000114975553 436646002 /nfs/dbraw/zinc/64/60/02/436646002.db2.gz QOKVXTVCJWJXEQ-GFCCVEGCSA-N 0 0 335.408 0.704 10 0 ECAERN CN1CCO[C@@H](CNC(=O)N[C@@H]2CCCN(c3ccccc3)C2=O)C1 ZINC000114526757 436642572 /nfs/dbraw/zinc/64/25/72/436642572.db2.gz LHQYDJZCGOADQT-JKSUJKDBSA-N 0 0 346.431 0.812 10 0 ECAERN O=C(CCn1[nH]c(=O)c2ccccc2c1=O)N[C@H]1CCCC[C@H]1CO ZINC000151069941 436695655 /nfs/dbraw/zinc/69/56/55/436695655.db2.gz YHFYKRSDVJDLCF-WFASDCNBSA-N 0 0 345.399 0.747 10 0 ECAERN NS(=O)(=O)c1cc(C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)co1 ZINC000120777324 436698655 /nfs/dbraw/zinc/69/86/55/436698655.db2.gz YWPXWYAPDPGZHP-FZMZJTMJSA-N 0 0 328.390 0.694 10 0 ECAERN Cc1cc(Cl)ncc1NC(=O)C(=O)NC[C@@H](C)N1CCOCC1 ZINC000151544358 436704516 /nfs/dbraw/zinc/70/45/16/436704516.db2.gz LBYJEXZOGZQKFA-LLVKDONJSA-N 0 0 340.811 0.819 10 0 ECAERN Cn1cc(CNC(=O)NC[C@@H]2CN(C)CCO2)c(C(F)(F)F)n1 ZINC000151677652 436709788 /nfs/dbraw/zinc/70/97/88/436709788.db2.gz BGSDDMCKWAGTIW-SNVBAGLBSA-N 0 0 335.330 0.569 10 0 ECAERN Cc1cc(S(N)(=O)=O)cc(C(=O)N[C@@H]2CCCn3ncnc32)c1C ZINC000120044793 436678655 /nfs/dbraw/zinc/67/86/55/436678655.db2.gz YZGAHSJREONFQP-CYBMUJFWSA-N 0 0 349.416 0.807 10 0 ECAERN CCCCOC[C@H](O)CN1CCc2cc(S(N)(=O)=O)ccc21 ZINC000195184909 436682166 /nfs/dbraw/zinc/68/21/66/436682166.db2.gz VIEFTQCQADFIRE-CYBMUJFWSA-N 0 0 328.434 0.874 10 0 ECAERN O=C(CCCNC(=O)c1cccnc1)N1CC[C@@H](N2CCOCC2)C1 ZINC000124838602 436758712 /nfs/dbraw/zinc/75/87/12/436758712.db2.gz FXSASEVPRWEOAQ-MRXNPFEDSA-N 0 0 346.431 0.525 10 0 ECAERN COc1c(CNC(=O)N2CC(=O)N[C@@H]3CCCC[C@@H]32)c(C)nn1C ZINC000153763680 436762394 /nfs/dbraw/zinc/76/23/94/436762394.db2.gz LMQXXAIAHAMLRL-OLZOCXBDSA-N 0 0 335.408 0.690 10 0 ECAERN C[C@H](O)CN1CCN(CCS(=O)(=O)c2ccc(F)cc2)C[C@H]1C ZINC000248722253 436808936 /nfs/dbraw/zinc/80/89/36/436808936.db2.gz GXVYJEJWRVNJKM-KGLIPLIRSA-N 0 0 344.452 0.986 10 0 ECAERN CNC(=O)[C@H]1CCCN1C(=O)NC1CCN(c2ccccn2)CC1 ZINC000156069940 436810411 /nfs/dbraw/zinc/81/04/11/436810411.db2.gz UVZOYOJYKKLEEV-CQSZACIVSA-N 0 0 331.420 0.970 10 0 ECAERN CN([C@H]1CCCN(c2cccnn2)C1)S(=O)(=O)c1cnn(C)c1 ZINC000128407614 436815286 /nfs/dbraw/zinc/81/52/86/436815286.db2.gz SGEQLPZVTFTLOH-LBPRGKRZSA-N 0 0 336.421 0.500 10 0 ECAERN Cn1cc([C@H]2CCCN2c2cc(N3CCN(C)C(=O)C3)ncn2)cn1 ZINC000274373618 436819520 /nfs/dbraw/zinc/81/95/20/436819520.db2.gz QTJOISCGWKXMRZ-CQSZACIVSA-N 0 0 341.419 0.830 10 0 ECAERN Cc1cc(F)cc(NC(=O)C(=O)N2CCN(C[C@H](C)O)[C@H](C)C2)c1 ZINC000246014569 436771269 /nfs/dbraw/zinc/77/12/69/436771269.db2.gz SMFGACOCCSPVFX-OLZOCXBDSA-N 0 0 337.395 0.986 10 0 ECAERN Cc1ccoc1C(=O)NCCCNC(=O)NC[C@H]1CN(C)CCO1 ZINC000125798641 436776527 /nfs/dbraw/zinc/77/65/27/436776527.db2.gz VJQMCSLRMDDGOM-ZDUSSCGKSA-N 0 0 338.408 0.338 10 0 ECAERN CNC(=O)Cc1nc(CN2C[C@@H](C)[C@H](N3CCOCC3)C2)cs1 ZINC000246580522 436782017 /nfs/dbraw/zinc/78/20/17/436782017.db2.gz WBZCWCCUXPIGSN-TZMCWYRMSA-N 0 0 338.477 0.584 10 0 ECAERN C[C@@H](CNC(=O)NCCC(=O)NCc1ccccc1)N1CCOCC1 ZINC000155179803 436791154 /nfs/dbraw/zinc/79/11/54/436791154.db2.gz BZSVFNMTSGGCAK-HNNXBMFYSA-N 0 0 348.447 0.713 10 0 ECAERN CCn1cc(Br)cc1C(=O)N1CCOC[C@H]1C(N)=O ZINC000126745526 436792504 /nfs/dbraw/zinc/79/25/04/436792504.db2.gz CGXHETFTAZQUGI-JTQLQIEISA-N 0 0 330.182 0.597 10 0 ECAERN CCOCCN1CCN(S(=O)(=O)C[C@H]2CCCO2)C[C@H]1CC ZINC000247274245 436792492 /nfs/dbraw/zinc/79/24/92/436792492.db2.gz ZRBIBTAMTZVJNQ-HUUCEWRRSA-N 0 0 334.482 0.928 10 0 ECAERN Cc1noc([C@@H]2COCCN2C(=O)c2ccc3c(c2)nnn3C)n1 ZINC000155412801 436794702 /nfs/dbraw/zinc/79/47/02/436794702.db2.gz MINXWYFBFIBCMZ-ZDUSSCGKSA-N 0 0 328.332 0.873 10 0 ECAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)c1cccc(C(N)=O)c1 ZINC000127183796 436797264 /nfs/dbraw/zinc/79/72/64/436797264.db2.gz WHAWEDNQVXYNSW-LBPRGKRZSA-N 0 0 329.360 0.788 10 0 ECAERN COc1cccc(CC(=O)N[C@@H]2CN(c3ccncn3)C[C@H]2CO)c1 ZINC000253402985 436841291 /nfs/dbraw/zinc/84/12/91/436841291.db2.gz GVHUSKBVSGEFKO-GOEBONIOSA-N 0 0 342.399 0.641 10 0 ECAERN COC[C@@H]1CN(c2cnccn2)C[C@H]1C(=O)NCCc1ccncc1 ZINC000253414368 436844068 /nfs/dbraw/zinc/84/40/68/436844068.db2.gz XGMRGHJTBQDJGO-JKSUJKDBSA-N 0 0 341.415 0.929 10 0 ECAERN COc1ccc2cc(C(=O)N3C[C@@H](CO)[C@H](NC(C)=O)C3)[nH]c2c1 ZINC000257188573 436857428 /nfs/dbraw/zinc/85/74/28/436857428.db2.gz FSPDQXQGQKLHJL-BLLLJJGKSA-N 0 0 331.372 0.746 10 0 ECAERN O=C(c1ncn(-c2ccccc2)n1)N1CC[C@H](N2CCOCC2)C1 ZINC000157750022 436834616 /nfs/dbraw/zinc/83/46/16/436834616.db2.gz NWQRNKDPQMJTFV-HNNXBMFYSA-N 0 0 327.388 0.814 10 0 ECAERN COCC(=O)N[C@H](C(=O)N1CCC[C@H](Cn2cncn2)C1)C(C)C ZINC000133968747 436886594 /nfs/dbraw/zinc/88/65/94/436886594.db2.gz QFKCHACVIWFESI-ZFWWWQNUSA-N 0 0 337.424 0.304 10 0 ECAERN Cc1cc(CN2CCN(C(=O)NC[C@H]3CN(C)CCO3)CC2)no1 ZINC000170924811 436961867 /nfs/dbraw/zinc/96/18/67/436961867.db2.gz NPBKSFQYASTCBF-HNNXBMFYSA-N 0 0 337.424 0.141 10 0 ECAERN O=C([C@H]1CC(F)(F)CN1)N1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000263304221 436962764 /nfs/dbraw/zinc/96/27/64/436962764.db2.gz XNYJUSXCPLQOHD-GHMZBOCLSA-N 0 0 325.363 0.928 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)N2CCC[C@H](C(=O)OC)C2)C1 ZINC000263481012 436967960 /nfs/dbraw/zinc/96/79/60/436967960.db2.gz NYTAWFHXMKFSKF-HIFPTAJRSA-N 0 0 341.408 0.519 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)NC[C@]2(O)CCC[C@@H]2C)C1 ZINC000263514222 436970109 /nfs/dbraw/zinc/97/01/09/436970109.db2.gz ZUADJNWDYMJWAC-PIISCBOPSA-N 0 0 327.425 0.774 10 0 ECAERN CC(=O)NCCNC(=O)N1CC[C@H](Oc2cccnc2N(C)C)C1 ZINC000275479088 436973838 /nfs/dbraw/zinc/97/38/38/436973838.db2.gz YSYPOTDNENXFJR-ZDUSSCGKSA-N 0 0 335.408 0.446 10 0 ECAERN CCS(=O)(=O)NCC(=O)N1CCC[C@@H]1c1noc(C(C)C)n1 ZINC000136367219 436931589 /nfs/dbraw/zinc/93/15/89/436931589.db2.gz DEHLXQRLJPTMAI-SNVBAGLBSA-N 0 0 330.410 0.796 10 0 ECAERN O=C(CN1CCCN(C(=O)[C@H]2CC(F)(F)CN2)CC1)N1CCCC1 ZINC000262925509 436945286 /nfs/dbraw/zinc/94/52/86/436945286.db2.gz HIUMPDAHFSETHU-CYBMUJFWSA-N 0 0 344.406 0.140 10 0 ECAERN Cc1nsc(N2CCCN(C(=O)[C@H]3CC(F)(F)CN3)CC2)n1 ZINC000263057138 436950313 /nfs/dbraw/zinc/95/03/13/436950313.db2.gz UZCZITZJJGGUJK-SNVBAGLBSA-N 0 0 331.392 0.882 10 0 ECAERN C[C@@H](CNC(=O)NCCc1cccc(C(N)=O)c1)N1CCOCC1 ZINC000170680356 436950382 /nfs/dbraw/zinc/95/03/82/436950382.db2.gz PADVOTKABCJISD-ZDUSSCGKSA-N 0 0 334.420 0.348 10 0 ECAERN O=C(COc1ccccc1)NCC(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000170896341 436958340 /nfs/dbraw/zinc/95/83/40/436958340.db2.gz IKAARRSUAJVNHM-CQSZACIVSA-N 0 0 343.387 0.637 10 0 ECAERN Cc1sc(=O)n(CC(=O)N2CC[C@H](N3CCOCC3)C2)c1C ZINC000172753149 437027859 /nfs/dbraw/zinc/02/78/59/437027859.db2.gz WTPVYKIRJCJGPK-ZDUSSCGKSA-N 0 0 325.434 0.460 10 0 ECAERN Cn1ncc(C(=O)N2CC[C@@H](N3CCOCC3)C2)c1-n1cccc1 ZINC000172766869 437028714 /nfs/dbraw/zinc/02/87/14/437028714.db2.gz HRTMMDRREDFCRA-CQSZACIVSA-N 0 0 329.404 0.758 10 0 ECAERN Cn1ccc(NC(=O)N[C@@H]2CCCN(c3nccn(C)c3=O)C2)n1 ZINC000275559286 436983848 /nfs/dbraw/zinc/98/38/48/436983848.db2.gz GHNUNVGOYWQLNP-LLVKDONJSA-N 0 0 331.380 0.304 10 0 ECAERN Cn1cc(CN2CCCN(S(=O)(=O)C[C@@H]3CCCO3)CC2)cn1 ZINC000172021861 436995360 /nfs/dbraw/zinc/99/53/60/436995360.db2.gz ACPFBCOFRBNHGT-HNNXBMFYSA-N 0 0 342.465 0.437 10 0 ECAERN Cn1cc([C@H]2CCN(C(=O)NCCC(=O)N3CCN(C)CC3)C2)cn1 ZINC000172174445 437001860 /nfs/dbraw/zinc/00/18/60/437001860.db2.gz VCFIFQQEBVMXNU-AWEZNQCLSA-N 0 0 348.451 0.083 10 0 ECAERN Cc1cnn(CCNS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)c1 ZINC000172209633 437003637 /nfs/dbraw/zinc/00/36/37/437003637.db2.gz DNHGBKHFVLLEML-UHFFFAOYSA-N 0 0 336.373 0.615 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)c1ccc(-n3cnnn3)cc1)CC2 ZINC000172257594 437005285 /nfs/dbraw/zinc/00/52/85/437005285.db2.gz JZRYVIXXGHVCNC-GFCCVEGCSA-N 0 0 338.375 0.561 10 0 ECAERN CCN1CCN(C(=O)[C@H](C)N2CCO[C@H](c3nnc(C)[nH]3)C2)CC1 ZINC000173352817 437046024 /nfs/dbraw/zinc/04/60/24/437046024.db2.gz DSSJJZBABVUFHM-JSGCOSHPSA-N 0 0 336.440 0.039 10 0 ECAERN Cc1cc(N2CCC[C@H](NC(=O)NCc3noc(C)n3)C2=O)n(C)n1 ZINC000173561376 437056454 /nfs/dbraw/zinc/05/64/54/437056454.db2.gz MMVLPXFUFCZWOX-NSHDSACASA-N 0 0 347.379 0.415 10 0 ECAERN CCCN(CC(=O)OCC)C[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000299373586 437074442 /nfs/dbraw/zinc/07/44/42/437074442.db2.gz ZVDNBCDGOKMRAN-ZDUSSCGKSA-N 0 0 348.399 0.919 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)C(=O)NCc1ccc(F)cc1)CC2 ZINC000173768408 437063718 /nfs/dbraw/zinc/06/37/18/437063718.db2.gz KLUZWDPNFQLVNQ-ZDUSSCGKSA-N 0 0 345.378 0.727 10 0 ECAERN Cc1ccccc1C(=O)NCC(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000173815322 437064091 /nfs/dbraw/zinc/06/40/91/437064091.db2.gz NWIRSZCXLRSBJO-RDJZCZTQSA-N 0 0 345.443 0.904 10 0 ECAERN CC(C)(C)C(=O)NCCNC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000173822537 437066627 /nfs/dbraw/zinc/06/66/27/437066627.db2.gz ZYFZCKFHATVIRW-CYBMUJFWSA-N 0 0 326.441 0.265 10 0 ECAERN COC[C@H](C)S(=O)(=O)N1CCCN(Cc2noc(C)n2)CC1 ZINC000173824056 437066792 /nfs/dbraw/zinc/06/67/92/437066792.db2.gz NWYURCOHQQQXDY-NSHDSACASA-N 0 0 332.426 0.250 10 0 ECAERN O=C(NCc1ccc(CO)c(F)c1)N1CC[C@H](N2CCOCC2)C1 ZINC000173907127 437068768 /nfs/dbraw/zinc/06/87/68/437068768.db2.gz PBUHPBFFZYWVFQ-HNNXBMFYSA-N 0 0 337.395 0.934 10 0 ECAERN O=C(NCc1nccn1C(F)F)N1CC[C@H](N2CCOCC2)C1 ZINC000173907592 437068805 /nfs/dbraw/zinc/06/88/05/437068805.db2.gz HKGQFDWDLVXNEV-NSHDSACASA-N 0 0 329.351 0.894 10 0 ECAERN COc1cccc(CNC(=O)CN2CC[C@@H](N3CCOCC3)C2)c1 ZINC000173948118 437071239 /nfs/dbraw/zinc/07/12/39/437071239.db2.gz SGMJWQWGVZJGQJ-MRXNPFEDSA-N 0 0 333.432 0.718 10 0 ECAERN C[C@@H](O)CN1CCN(C(=O)C2CCN(c3cnccn3)CC2)C[C@@H]1C ZINC000174289689 437077950 /nfs/dbraw/zinc/07/79/50/437077950.db2.gz PNNVZCNRWSPUKF-LSDHHAIUSA-N 0 0 347.463 0.607 10 0 ECAERN O[C@@H](CNC1(c2noc(C3CC3)n2)CCCC1)CN1CCOCC1 ZINC000174247198 437077140 /nfs/dbraw/zinc/07/71/40/437077140.db2.gz FKKPCJVTHSAHBK-AWEZNQCLSA-N 0 0 336.436 0.999 10 0 ECAERN NC(=O)[C@H]1COCCN1C(=O)c1ccc(F)cc1Br ZINC000126752189 303333702 /nfs/dbraw/zinc/33/37/02/303333702.db2.gz LAKAAYFJSFTUDH-SNVBAGLBSA-N 0 0 331.141 0.915 10 0 ECAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)NCc3noc(C)n3)CCO2)n1 ZINC000175694966 437112279 /nfs/dbraw/zinc/11/22/79/437112279.db2.gz MANVBFNFCJPGSB-ZDUSSCGKSA-N 0 0 334.380 0.802 10 0 ECAERN CC(C)n1nnnc1C[S@@](=O)CC(=O)NCc1cccs1 ZINC000176574104 437149164 /nfs/dbraw/zinc/14/91/64/437149164.db2.gz QNIOVOSXIXDMHZ-OAQYLSRUSA-N 0 0 327.435 0.881 10 0 ECAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)[C@H](C)CS(C)(=O)=O)C2)n1 ZINC000176853524 437159357 /nfs/dbraw/zinc/15/93/57/437159357.db2.gz PLBGSPQWCYFUHI-BXUZGUMPSA-N 0 0 342.465 0.814 10 0 ECAERN Cc1nn(C)c(C)c1S(=O)(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000176998211 437163072 /nfs/dbraw/zinc/16/30/72/437163072.db2.gz ZWXAUIJXLAYMLU-SMDDNHRTSA-N 0 0 342.465 0.378 10 0 ECAERN C[C@@H]1CN(C(=O)NCc2nnc3n2CCCC3)C[C@@H]1N1CCOCC1 ZINC000175692472 437112972 /nfs/dbraw/zinc/11/29/72/437112972.db2.gz ZQHXTKUOSNMYIT-KGLIPLIRSA-N 0 0 348.451 0.477 10 0 ECAERN CNS(=O)(=O)c1cc(C(=O)N[C@H]2CCCn3ncnc32)c(C)o1 ZINC000175709795 437115184 /nfs/dbraw/zinc/11/51/84/437115184.db2.gz OZZFTKHDIKGVLK-JTQLQIEISA-N 0 0 339.377 0.353 10 0 ECAERN CCOCCNC(=O)CN1CCN([C@@H](C)c2nc(CC)no2)CC1 ZINC000175961526 437126143 /nfs/dbraw/zinc/12/61/43/437126143.db2.gz JEFPUXKJQFKNQJ-ZDUSSCGKSA-N 0 0 339.440 0.463 10 0 ECAERN CNC(=O)c1cccnc1NCCNc1nnnn1-c1ccccc1 ZINC000301765045 437130563 /nfs/dbraw/zinc/13/05/63/437130563.db2.gz AZHMMUPAMRDTJN-UHFFFAOYSA-N 0 0 338.375 0.941 10 0 ECAERN O=C(CSC[C@@H](O)CO)N1CCN(c2ccc(F)cc2)CC1 ZINC000177413094 437183917 /nfs/dbraw/zinc/18/39/17/437183917.db2.gz IJWPFAZFWAWJIE-AWEZNQCLSA-N 0 0 328.409 0.561 10 0 ECAERN O=C(CCCS(=O)(=O)N1CCCC1)N[C@@H]1CCCn2ncnc21 ZINC000177566964 437189480 /nfs/dbraw/zinc/18/94/80/437189480.db2.gz TWJFLHJFLROWRQ-GFCCVEGCSA-N 0 0 341.437 0.435 10 0 ECAERN O=C(Nc1ccc(-n2nccn2)cc1)C(=O)N[C@@H]1CCCC[C@@H]1CO ZINC000177549866 437190625 /nfs/dbraw/zinc/19/06/25/437190625.db2.gz UXMZVVAPCXXZJZ-IUODEOHRSA-N 0 0 343.387 0.873 10 0 ECAERN O=S(=O)(Cc1cn2cc(Cl)cc(Cl)c2n1)C[C@@H](O)CO ZINC000177670009 437193763 /nfs/dbraw/zinc/19/37/63/437193763.db2.gz WOHLMWZYWWRQGN-VIFPVBQESA-N 0 0 339.200 0.909 10 0 ECAERN CNC(=O)[C@H](NC(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O)C(C)C ZINC000178436837 437214927 /nfs/dbraw/zinc/21/49/27/437214927.db2.gz GZKMGEYWWDMQQT-RKDXNWHRSA-N 0 0 338.330 0.219 10 0 ECAERN CNC(=O)[C@H](NC(=O)N1CCCN(C(=O)C(C)C)CC1)C(C)C ZINC000178409319 437215005 /nfs/dbraw/zinc/21/50/05/437215005.db2.gz AKKOFXSEVZZGFI-CYBMUJFWSA-N 0 0 326.441 0.657 10 0 ECAERN CNC(=O)[C@H](NC(=O)CCn1cnc2sccc2c1=O)C(C)C ZINC000178685157 437224176 /nfs/dbraw/zinc/22/41/76/437224176.db2.gz BDOSYXFOQBRGEO-GFCCVEGCSA-N 0 0 336.417 0.735 10 0 ECAERN CNC(=O)[C@H](NC(=O)[C@H](c1ccccc1)N1CCN(C)CC1)C(C)C ZINC000178862040 437236401 /nfs/dbraw/zinc/23/64/01/437236401.db2.gz ADUQOLGAJAQSNL-SJORKVTESA-N 0 0 346.475 0.862 10 0 ECAERN CC(C)OCCS(=O)(=O)N1CC[C@](O)(c2nc(C3CC3)no2)C1 ZINC000328613673 437238955 /nfs/dbraw/zinc/23/89/55/437238955.db2.gz TUCADWLILRAYQN-CQSZACIVSA-N 0 0 345.421 0.595 10 0 ECAERN CCOc1cc(N2C[C@@H](O)[C@H](N(C)Cc3nnc(C)o3)C2)ncn1 ZINC000328626226 437242134 /nfs/dbraw/zinc/24/21/34/437242134.db2.gz DWVOJBFJYSMGBI-VXGBXAGGSA-N 0 0 334.380 0.248 10 0 ECAERN CN1CCN(S(=O)(=O)CC[C@@H]2CCCO2)C[C@@H]1c1ncc[nH]1 ZINC000328634566 437242936 /nfs/dbraw/zinc/24/29/36/437242936.db2.gz UEVCDJMASAARSF-QWHCGFSZSA-N 0 0 328.438 0.597 10 0 ECAERN CCc1cnccc1C(=O)N1CC(N2CCn3c(C)nnc3C2)C1 ZINC000328644111 437245703 /nfs/dbraw/zinc/24/57/03/437245703.db2.gz RSAGXKROVZCNLH-UHFFFAOYSA-N 0 0 326.404 0.884 10 0 ECAERN COC(=O)c1coc(S(=O)(=O)N2CCN3CCCC[C@@H]3C2)c1 ZINC000179209654 437254967 /nfs/dbraw/zinc/25/49/67/437254967.db2.gz VVWLGIJFIJNGCC-GFCCVEGCSA-N 0 0 328.390 0.925 10 0 ECAERN CCn1c2ccc(C(=O)N[C@@H]3CCCC[C@@H]3CO)cc2[nH]c(=O)c1=O ZINC000179254166 437257770 /nfs/dbraw/zinc/25/77/70/437257770.db2.gz HWWNWMWPZPQXNR-CHWSQXEVSA-N 0 0 345.399 0.991 10 0 ECAERN Cc1cc(F)ccc1-n1cc(C(=O)NC[C@@H]2CN(C)CCO2)nn1 ZINC000179416447 437264249 /nfs/dbraw/zinc/26/42/49/437264249.db2.gz VWDHHPAUNXHEPR-CYBMUJFWSA-N 0 0 333.367 0.775 10 0 ECAERN Cc1cc(N2CCC[C@@H](NC(=O)Nc3ncnn3C)C2=O)n(C)n1 ZINC000181272712 437315826 /nfs/dbraw/zinc/31/58/26/437315826.db2.gz ITLAHAGAVBBCHK-SNVBAGLBSA-N 0 0 332.368 0.174 10 0 ECAERN CCCn1nccc1NC(=O)C(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000180260783 437285986 /nfs/dbraw/zinc/28/59/86/437285986.db2.gz DOJXVHKYPCSLAT-KGLIPLIRSA-N 0 0 349.435 0.411 10 0 ECAERN O=C(NCCCn1ccnn1)N1CCC(Nc2cccnn2)CC1 ZINC000182469822 437351427 /nfs/dbraw/zinc/35/14/27/437351427.db2.gz NFNANHODZOJXDY-UHFFFAOYSA-N 0 0 330.396 0.744 10 0 ECAERN Cc1cc(=O)n(C)cc1NC(=O)C(=O)N1CCN2CCCC[C@@H]2C1 ZINC000183109923 437374389 /nfs/dbraw/zinc/37/43/89/437374389.db2.gz LBRZXCFZSWGSKV-CYBMUJFWSA-N 0 0 332.404 0.329 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)NC[C@H]2CC(=O)N(C3CC3)C2)CC1 ZINC000182159513 437339575 /nfs/dbraw/zinc/33/95/75/437339575.db2.gz NNRCSJQWHBZJHH-UKRRQHHQSA-N 0 0 338.452 0.095 10 0 ECAERN CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cncnc1N(C)C ZINC000184484148 437403457 /nfs/dbraw/zinc/40/34/57/437403457.db2.gz HECYKBMVZISWFM-CYBMUJFWSA-N 0 0 348.451 0.718 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)NCCc2cccc(C(N)=O)c2)CC1 ZINC000185044435 437422400 /nfs/dbraw/zinc/42/24/00/437422400.db2.gz PIZYSMQEWVOGTM-MRXNPFEDSA-N 0 0 348.447 0.426 10 0 ECAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)Nc1nccn(C)c1=O)CC2 ZINC000183847483 437392331 /nfs/dbraw/zinc/39/23/31/437392331.db2.gz ZUCWOFNBDNBRRB-SNVBAGLBSA-N 0 0 331.380 0.632 10 0 ECAERN COCC(=O)NC1CN(C(=O)c2ccncc2Br)C1 ZINC000185241801 437433319 /nfs/dbraw/zinc/43/33/19/437433319.db2.gz GQYHCPOFSNUFGP-UHFFFAOYSA-N 0 0 328.166 0.431 10 0 ECAERN CCc1nc([C@H](C)NC(=O)N2CC(NC(=O)COC)C2)cs1 ZINC000185415187 437438251 /nfs/dbraw/zinc/43/82/51/437438251.db2.gz DRYMUOVGEQELKO-VIFPVBQESA-N 0 0 326.422 0.923 10 0 ECAERN COc1ccc(F)cc1CC(=O)NC[C@@H](O)CN1CCOCC1 ZINC000185607046 437445517 /nfs/dbraw/zinc/44/55/17/437445517.db2.gz FVCORXMMLMKTSB-CQSZACIVSA-N 0 0 326.368 0.186 10 0 ECAERN C[C@H]1CN(C(=O)c2cc(OC(F)F)n(C)n2)C[C@H]1N1CCOCC1 ZINC000185712061 437449570 /nfs/dbraw/zinc/44/95/70/437449570.db2.gz JGFPVMQQPYJIHT-CMPLNLGQSA-N 0 0 344.362 0.814 10 0 ECAERN COCC(=O)NC1CN(C(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)C1 ZINC000185771671 437450963 /nfs/dbraw/zinc/45/09/63/437450963.db2.gz LXASSPPNHJZJJK-CQSZACIVSA-N 0 0 348.447 0.663 10 0 ECAERN COCC(=O)NC1CN(C(=O)c2ccc(C(F)(F)F)nc2C)C1 ZINC000186312397 437469307 /nfs/dbraw/zinc/46/93/07/437469307.db2.gz FMCYCNLOJDUPOL-UHFFFAOYSA-N 0 0 331.294 0.996 10 0 ECAERN O=C(Cc1ccccc1)NCCC(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188472230 437552818 /nfs/dbraw/zinc/55/28/18/437552818.db2.gz VIKFMKDCDAFJMY-UHFFFAOYSA-N 0 0 343.427 0.863 10 0 ECAERN CC(=O)NC1CN(S(=O)(=O)c2ccccc2Br)C1 ZINC000188557278 437555827 /nfs/dbraw/zinc/55/58/27/437555827.db2.gz VAJJTSJIPURPLQ-UHFFFAOYSA-N 0 0 333.207 0.958 10 0 ECAERN Cc1c(CN2C[C@@H](COCC(=O)N(C)C)OC(C)(C)C2)cnn1C ZINC000343342665 437563465 /nfs/dbraw/zinc/56/34/65/437563465.db2.gz NVWKDAXIGJOWCZ-HNNXBMFYSA-N 0 0 338.452 0.813 10 0 ECAERN CCc1cnc(NC(=O)C(=O)N2CCN(CCOC)[C@H](C)C2)s1 ZINC000190489405 437627472 /nfs/dbraw/zinc/62/74/72/437627472.db2.gz GMOALBRQQXQKOF-LLVKDONJSA-N 0 0 340.449 0.823 10 0 ECAERN CC(=O)NC1CN(C(=O)c2cncc(I)c2)C1 ZINC000190525943 437628955 /nfs/dbraw/zinc/62/89/55/437628955.db2.gz CPDKTYTYPKFXGB-UHFFFAOYSA-N 0 0 345.140 0.647 10 0 ECAERN COC[C@@H]1C[C@@H](OC)CN1C(=O)Cn1c(C)nc2ccccc2c1=O ZINC000344684735 437761612 /nfs/dbraw/zinc/76/16/12/437761612.db2.gz IHDOYQLHDRCFOW-UONOGXRCSA-N 0 0 345.399 0.967 10 0 ECAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)[C@H](C)N3CCN(C)CC3)C2)n1 ZINC000371651055 437972406 /nfs/dbraw/zinc/97/24/06/437972406.db2.gz WSMAGASCDSQCAK-WMLDXEAASA-N 0 0 348.495 0.769 10 0 ECAERN C[C@@H](O)C[C@@H]1COCCN1C(=O)N[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000366467383 438079791 /nfs/dbraw/zinc/07/97/91/438079791.db2.gz SJPQLVFMFFTNJO-AAVRWANBSA-N 0 0 348.465 0.524 10 0 ECAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CCN([C@@H](C)C(F)(F)F)CC1 ZINC000373005185 438124058 /nfs/dbraw/zinc/12/40/58/438124058.db2.gz DOAWBCGNFFQGIH-ZMLRMANQSA-N 0 0 337.342 0.063 10 0 ECAERN C[C@@H]1CN(C(=O)[C@H](NC(N)=O)C(C)(C)C)C[C@@H]1N1CCOCC1 ZINC000367398530 438205569 /nfs/dbraw/zinc/20/55/69/438205569.db2.gz IJTBEYMGDSXELS-AGIUHOORSA-N 0 0 326.441 0.249 10 0 ECAERN O=C(N[C@H]1CCC(=O)N[C@@H]1[C@@H]1CCCO1)c1cccc2ncnn21 ZINC000576511568 438786104 /nfs/dbraw/zinc/78/61/04/438786104.db2.gz QKHIOYYZYYCQEG-WBIUFABUSA-N 0 0 329.360 0.285 10 0 ECAERN Cn1cc(S(=O)(=O)N[C@@H]2CC[C@H](C(F)(F)F)N(C)C2)cn1 ZINC000583616443 439485640 /nfs/dbraw/zinc/48/56/40/439485640.db2.gz UWBKHSGVUOJQDI-PSASIEDQSA-N 0 0 326.344 0.724 10 0 ECAERN C[C@H]1CN(C(=O)OC(C)(C)C)CCN1[C@@H]1C[NH2+]C[C@@H](C(=O)[O-])C1 ZINC000536957197 439540558 /nfs/dbraw/zinc/54/05/58/439540558.db2.gz CMPIPHCAUVTXMR-AVGNSLFASA-N 0 0 327.425 0.990 10 0 ECAERN COc1ccc(O[C@@H]2O[C@@H](CO)[C@@H]3OC(C)(C)O[C@H]3[C@H]2O)cc1 ZINC000616588631 439820571 /nfs/dbraw/zinc/82/05/71/439820571.db2.gz IFIVVNHQGPJZBP-AIEDFZFUSA-N 0 0 326.345 0.672 10 0 ECAERN CCOC(=O)c1ccc([C@@H]2CN(S(N)(=O)=O)CCCO2)cc1 ZINC000616651543 439820757 /nfs/dbraw/zinc/82/07/57/439820757.db2.gz VLUDWXDRRYRXEO-ZDUSSCGKSA-N 0 0 328.390 0.830 10 0 ECAERN Cc1nnc2n1C[C@@H](C(=O)NCCc1nc3ccccc3[nH]1)N(C)C2 ZINC000644253109 440490884 /nfs/dbraw/zinc/49/08/84/440490884.db2.gz NGLLAMUXSZAKKG-AWEZNQCLSA-N 0 0 339.403 0.636 10 0 ECAERN CN(C[C@H]1CN(C)CCO1)C(=O)c1nn(C)cc1Br ZINC000633918415 440573947 /nfs/dbraw/zinc/57/39/47/440573947.db2.gz SDOMVWRKBYCFPI-SECBINFHSA-N 0 0 331.214 0.585 10 0 ECAERN CCCc1nc(C)c(CNC(=O)[C@H]2Cn3c(C)nnc3CN2C)o1 ZINC000644472113 440610762 /nfs/dbraw/zinc/61/07/62/440610762.db2.gz KZDQKOFPWDJYAL-GFCCVEGCSA-N 0 0 332.408 0.966 10 0 ECAERN COCc1noc(CN2CCN(C[C@H](O)COC(C)(C)C)CC2)n1 ZINC000182241320 320529373 /nfs/dbraw/zinc/52/93/73/320529373.db2.gz PXCFZEHYRLVQEU-ZDUSSCGKSA-N 0 0 342.440 0.510 10 0 ECAERN Cc1cc(C)n(CC(=O)N2CCN[C@@H](c3cccnc3)C2)c(=O)n1 ZINC000328638619 320724632 /nfs/dbraw/zinc/72/46/32/320724632.db2.gz BPUNBTHUQBPZEY-OAHLLOKOSA-N 0 0 327.388 0.428 10 0 ECAERN CS(=O)(=O)C[C@H]1CCN(C(=O)[C@H]2COCCN2CC2CCC2)C1 ZINC000329217758 320760795 /nfs/dbraw/zinc/76/07/95/320760795.db2.gz QRYRTFVZUQDNDT-LSDHHAIUSA-N 0 0 344.477 0.380 10 0 ECAERN CCS(=O)(=O)N1CCN(C(=O)C[C@@H]2CCCCNC2=O)CC1 ZINC000329314696 320765940 /nfs/dbraw/zinc/76/59/40/320765940.db2.gz AWRMVYPYDZLWKT-LBPRGKRZSA-N 0 0 331.438 0.627 10 0 ECAERN CC(C)[C@H]1N(C(=O)C2CCN(S(N)(=O)=O)CC2)C[C@]12CCCO2 ZINC000329346118 320767725 /nfs/dbraw/zinc/76/77/25/320767725.db2.gz VACMBDKWOWGJEL-UKRRQHHQSA-N 0 0 345.465 0.318 10 0 ECAERN Cc1cc(C)n2nc(CC(=O)N3CCOC[C@@H]3[C@@H]3CCCO3)nc2n1 ZINC000329414630 320770704 /nfs/dbraw/zinc/77/07/04/320770704.db2.gz YUIHBSZJMXKNPB-KGLIPLIRSA-N 0 0 345.403 0.690 10 0 ECAERN O=C(CSc1nncs1)N1CCN(Cc2ccon2)CC1 ZINC000329755755 320788347 /nfs/dbraw/zinc/78/83/47/320788347.db2.gz YGBCWIVXAYFETP-UHFFFAOYSA-N 0 0 325.419 0.963 10 0 ECAERN CO[C@H]1C[C@H](C(=O)N2CC[C@@H](Oc3ccncc3)C2)N(C(C)=O)C1 ZINC000329879221 320793170 /nfs/dbraw/zinc/79/31/70/320793170.db2.gz LYGKNSWRVAEZAK-OWCLPIDISA-N 0 0 333.388 0.697 10 0 ECAERN O=S(=O)(c1ccc(Br)cn1)N1CC(O)(C2CC2)C1 ZINC000330071704 320802984 /nfs/dbraw/zinc/80/29/84/320802984.db2.gz JCDZURYISOQKKT-UHFFFAOYSA-N 0 0 333.207 0.990 10 0 ECAERN CO[C@H]1C[C@@H](CO)N(C(=O)Cc2cccc(N3CCCC3=O)c2)C1 ZINC000345520673 321190942 /nfs/dbraw/zinc/19/09/42/321190942.db2.gz MEDLAISHWMMGMO-HOTGVXAUSA-N 0 0 332.400 0.964 10 0 ECAERN O[C@@H]1CCC[C@H]1[C@H]1COCCN1Cc1nnn(CC(F)(F)F)n1 ZINC000345760410 321199631 /nfs/dbraw/zinc/19/96/31/321199631.db2.gz LPUXCZSKIZKVCY-HBNTYKKESA-N 0 0 335.330 0.597 10 0 ECAERN CCOC(=O)[C@H]1CCCN(C(=O)[C@@]2(O)CCCN(C(C)=O)C2)C1 ZINC000347237286 321234612 /nfs/dbraw/zinc/23/46/12/321234612.db2.gz PIFWCIWDMQRCNN-XJKSGUPXSA-N 0 0 326.393 0.162 10 0 ECAERN C[C@@H]1C(=O)NCCCN1C(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1 ZINC000373766741 321820325 /nfs/dbraw/zinc/82/03/25/321820325.db2.gz WFAPWOOIYXWZBU-VXGBXAGGSA-N 0 0 333.363 0.916 10 0 ECAERN O=C(CCNC(=O)N1CCCC[C@@H]1c1cn[nH]c1)N1CCOCC1 ZINC000182281264 534423414 /nfs/dbraw/zinc/42/34/14/534423414.db2.gz OXMIIZOQJDOAIN-CQSZACIVSA-N 0 0 335.408 0.895 10 0 ECAERN Cc1sc(=O)n(CC(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)c1C ZINC000173819998 534601736 /nfs/dbraw/zinc/60/17/36/534601736.db2.gz AULVAVHSETURHB-RISCZKNCSA-N 0 0 339.461 0.706 10 0 ECAERN Cc1sc(=O)n(CC(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)c1C ZINC000173819967 534602306 /nfs/dbraw/zinc/60/23/06/534602306.db2.gz AULVAVHSETURHB-SMDDNHRTSA-N 0 0 339.461 0.706 10 0 ECAERN O=C(NC[C@H](O)CN1CCOCC1)c1ccccc1OC(F)F ZINC000154132542 534625461 /nfs/dbraw/zinc/62/54/61/534625461.db2.gz HOZLGQFSEMRJAY-NSHDSACASA-N 0 0 330.331 0.711 10 0 ECAERN O=C(N[C@H]1CC(=O)N(C2CC2)C1)N1CCC(Nc2cccnn2)CC1 ZINC000177610578 534796437 /nfs/dbraw/zinc/79/64/37/534796437.db2.gz LSKBLPYYPFWNDX-ZDUSSCGKSA-N 0 0 344.419 0.826 10 0 ECAERN CC(=O)N1CCOc2ccc(S(=O)(=O)N3CCN(C)CC3)cc21 ZINC000035325058 534802327 /nfs/dbraw/zinc/80/23/27/534802327.db2.gz WBXZIWBBVXKWBT-UHFFFAOYSA-N 0 0 339.417 0.368 10 0 ECAERN CC(=O)NC1CN(C(=O)C(=O)Nc2ccccc2-n2cccn2)C1 ZINC000191339789 526705536 /nfs/dbraw/zinc/70/55/36/526705536.db2.gz BKTIITKPYDBSKH-UHFFFAOYSA-N 0 0 327.344 0.158 10 0 ECAERN CC(=O)NCCNC(=O)N1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000182198634 526756143 /nfs/dbraw/zinc/75/61/43/526756143.db2.gz HAAMFGAYRYKYDN-CYBMUJFWSA-N 0 0 334.424 0.987 10 0 ECAERN O=C1CN(C[C@@H](O)COc2cccc(Br)c2)CCN1 ZINC000078254794 545692597 /nfs/dbraw/zinc/69/25/97/545692597.db2.gz YGEFJTUOBNGVIS-LLVKDONJSA-N 0 0 329.194 0.621 10 0 ECAERN C[C@@H](OC1CCCCCC1)C(=O)NC[C@@H](O)CN1CCOCC1 ZINC000132361510 545791460 /nfs/dbraw/zinc/79/14/60/545791460.db2.gz LWIOXGVPLIDYMZ-HUUCEWRRSA-N 0 0 328.453 0.924 10 0 ECAERN O=C(Nc1cnn(CC2CC2)c1)C(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000177961858 545877120 /nfs/dbraw/zinc/87/71/20/545877120.db2.gz MBSCGJRECGWPLE-CQSZACIVSA-N 0 0 343.391 0.687 10 0 ECAERN CNC(=O)[C@H]1CCCN1C(=O)NCCCc1nnc2n1CCCCC2 ZINC000179271128 545881396 /nfs/dbraw/zinc/88/13/96/545881396.db2.gz CRPPRUKRMXEXQX-CYBMUJFWSA-N 0 0 348.451 0.857 10 0 ECAERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1ccc2c(c1)N(C)CC2 ZINC000180728897 545884274 /nfs/dbraw/zinc/88/42/74/545884274.db2.gz VZLKXUFFXNLSTM-ZDUSSCGKSA-N 0 0 330.388 0.354 10 0 ECAERN CS(=O)(=O)C[C@H](NC[C@H](O)CN1CCCC1=O)c1ccccc1 ZINC000181783559 545888462 /nfs/dbraw/zinc/88/84/62/545888462.db2.gz BECHXHAVYNWJIN-GJZGRUSLSA-N 0 0 340.445 0.345 10 0 ECAERN O=C(Cc1ccc2c(c1)NC(=O)C2)N1CCO[C@H](Cn2cccn2)C1 ZINC000182420558 545889032 /nfs/dbraw/zinc/88/90/32/545889032.db2.gz USQBOBCFTHCQTF-HNNXBMFYSA-N 0 0 340.383 0.848 10 0 ECAERN CC(=O)NC1CN(C(=O)C(=O)Nc2cc(C(F)(F)F)ccn2)C1 ZINC000194378872 545912703 /nfs/dbraw/zinc/91/27/03/545912703.db2.gz RNZDQYUNUPUODU-UHFFFAOYSA-N 0 0 330.266 0.386 10 0 ECAERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1cc(C(F)(F)F)ccn1 ZINC000193558181 545912984 /nfs/dbraw/zinc/91/29/84/545912984.db2.gz DKGCMWRDORKEEI-VIFPVBQESA-N 0 0 344.293 0.776 10 0 ECAERN CC[C@H](O)c1cc2n(n1)CCN(C(=O)CSc1nncn1C)C2 ZINC000222929051 545924040 /nfs/dbraw/zinc/92/40/40/545924040.db2.gz LBVFJLLKFJZRQK-LBPRGKRZSA-N 0 0 336.421 0.590 10 0 ECAERN CN1CC[C@H](NS(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)CC1=O ZINC000248638860 545943001 /nfs/dbraw/zinc/94/30/01/545943001.db2.gz BFJRNFFWNILLCQ-MKBNYLNASA-N 0 0 342.461 0.922 10 0 ECAERN Cn1cc(O[C@@H]2CN(c3cncc(-n4cccn4)n3)C[C@H]2O)cn1 ZINC000624422147 546923772 /nfs/dbraw/zinc/92/37/72/546923772.db2.gz GTCDFFOGRPUIAI-CHWSQXEVSA-N 0 0 327.348 0.024 10 0 ECAERN COc1ccc(CCC(=O)N2CC[C@](O)(Cn3ccnn3)C2)cc1 ZINC000671498672 548162362 /nfs/dbraw/zinc/16/23/62/548162362.db2.gz WFLWKDBLRSXAKZ-QGZVFWFLSA-N 0 0 330.388 0.883 10 0 ECAERN O[C@@]1(Cn2ccnn2)CCN(Cc2nc(-c3ccccc3)no2)C1 ZINC000671553196 548181728 /nfs/dbraw/zinc/18/17/28/548181728.db2.gz KSRUMPQPGKGBPQ-INIZCTEOSA-N 0 0 326.360 0.965 10 0 ECAERN Cc1nc2ccccc2n1CC(=O)N1CC[C@@](O)(Cn2ccnn2)C1 ZINC000671604685 548201921 /nfs/dbraw/zinc/20/19/21/548201921.db2.gz GAZQYALYOIPRRQ-KRWDZBQOSA-N 0 0 340.387 0.600 10 0 ECAERN CC(C)(C)OC(=O)CCc1nc([C@@]2(N)CCS(=O)(=O)C2)no1 ZINC000757181455 579459925 /nfs/dbraw/zinc/45/99/25/579459925.db2.gz CBGDXRQFAHODJA-CYBMUJFWSA-N 0 0 331.394 0.316 10 0 ECAERN O=C(COc1ccc2c(c1)CCC2)N1CC[C@](O)(Cn2ccnn2)C1 ZINC000794175943 578579077 /nfs/dbraw/zinc/57/90/77/578579077.db2.gz NSICFUYLRINSLE-GOSISDBHSA-N 0 0 342.399 0.809 10 0 ECAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)c3cccn4nnnc34)C2)n1 ZINC000896417042 586239620 /nfs/dbraw/zinc/23/96/20/586239620.db2.gz YZFCLQLTFCCEQB-CYBMUJFWSA-N 0 0 340.391 0.885 10 0 ECAERN Cn1cnnc1C[C@]1(O)CCCN(CC(=O)NCc2ccco2)C1 ZINC000888076885 586246003 /nfs/dbraw/zinc/24/60/03/586246003.db2.gz SMOJELODABWDGD-MRXNPFEDSA-N 0 0 333.392 0.094 10 0 ECAERN Cc1ccncc1S(=O)(=O)N1C[C@@H](N(C)C)[C@@H](n2ccnn2)C1 ZINC000888094179 586348422 /nfs/dbraw/zinc/34/84/22/586348422.db2.gz CQNBJQIPZIQVBD-OLZOCXBDSA-N 0 0 336.421 0.157 10 0 ECAERN CCn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2oc(CO)cc2C)cn1 ZINC000888093693 586348622 /nfs/dbraw/zinc/34/86/22/586348622.db2.gz OIWSHMAYOAQIQT-UONOGXRCSA-N 0 0 335.360 0.873 10 0 ECAERN CNC(=O)c1nc(C2CC[NH+]([C@H]3CCN(C4CC4)C3=O)CC2)n[n-]1 ZINC000888094281 586349241 /nfs/dbraw/zinc/34/92/41/586349241.db2.gz HINDSKSAUQOQED-LBPRGKRZSA-N 0 0 332.408 0.107 10 0 ECAERN Cc1n[nH]c(C)c1CCC(=O)N[C@H]1CCC(=O)N[C@@H]1[C@H]1CCCO1 ZINC000888095616 586349449 /nfs/dbraw/zinc/34/94/49/586349449.db2.gz UXBGTIHFSPIFFM-VBQJREDUSA-N 0 0 334.420 0.902 10 0 ECAERN Cc1ocnc1C(=O)N[C@@H]1CCCC[C@@H]1Cc1nn(C)c(=O)n1C ZINC000888098602 586349862 /nfs/dbraw/zinc/34/98/62/586349862.db2.gz JIPATPDGXXXQRR-VXGBXAGGSA-N 0 0 333.392 0.947 10 0 ECAERN CNC(=O)[C@@H]1CC(=O)N(C2CN(C(=O)c3cc(F)ccc3C)C2)C1 ZINC000888098581 586350021 /nfs/dbraw/zinc/35/00/21/586350021.db2.gz OZZCRKYDMSLTAV-LLVKDONJSA-N 0 0 333.363 0.553 10 0 ECAERN Cc1c(C(=O)NC[C@H]2CCC(=O)N(C)[C@@H]2c2cnn(C)c2)cnn1C ZINC000888102815 586350629 /nfs/dbraw/zinc/35/06/29/586350629.db2.gz OFWAGIAECMWEGD-WBMJQRKESA-N 0 0 344.419 0.802 10 0 ECAERN Cc1noc([C@]2(O)CCN([C@H]3CCC4(C[C@H]3F)OCCO4)C2)n1 ZINC000894488613 586396554 /nfs/dbraw/zinc/39/65/54/586396554.db2.gz DKMPOUYEQSUJGN-DYEKYZERSA-N 0 0 327.356 0.905 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)[C@@]2(c3ccccc3)C[C@@H](O)C2)CC1 ZINC000900603509 586646760 /nfs/dbraw/zinc/64/67/60/586646760.db2.gz WPIDUPUTYPRYJV-LMMKCTJWSA-N 0 0 332.444 0.994 10 0 ECAERN CC[C@H]1CN(C(=O)c2ccnc3[nH]c(=O)[nH]c32)C[C@@H]1N1CCOCC1 ZINC000900879364 586671903 /nfs/dbraw/zinc/67/19/03/586671903.db2.gz KKXKOKYPAPIOHY-AAEUAGOBSA-N 0 0 345.403 0.846 10 0 ECAERN C/C=C\[C@@H](O)C(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1noc(C)n1 ZINC000907574335 586738230 /nfs/dbraw/zinc/73/82/30/586738230.db2.gz ARLKTDXRDCWYKO-RTNDAXFPSA-N 0 0 326.372 0.686 10 0 ECAERN O=C(c1cccn1CCN1CCOCC1)N1CCn2ccnc2C1 ZINC000906649742 586961767 /nfs/dbraw/zinc/96/17/67/586961767.db2.gz CLFKJTBCCIUFAX-UHFFFAOYSA-N 0 0 329.404 0.673 10 0 ECAERN COc1ccc(CN(C)C(=O)C[C@H]2CS(=O)(=O)CCN2)cc1C ZINC000818110367 587403768 /nfs/dbraw/zinc/40/37/68/587403768.db2.gz XQUMQDGZNJCBKV-AWEZNQCLSA-N 0 0 340.445 0.739 10 0 ECAERN CCn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2nccn3ccnc23)cn1 ZINC000818605622 587440701 /nfs/dbraw/zinc/44/07/01/587440701.db2.gz IPSVXHSYUBJAAI-QWHCGFSZSA-N 0 0 342.359 0.522 10 0 ECAERN COC(=O)[C@@H]1CCCN(C(=O)CS[C@@H]2CCS(=O)(=O)C2)C1 ZINC000112284799 589590096 /nfs/dbraw/zinc/59/00/96/589590096.db2.gz JIIFCBTWGLEZLV-GHMZBOCLSA-N 0 0 335.447 0.318 10 0 ECAERN Cn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2cccc3ncn(C)c32)cn1 ZINC000862923132 589974213 /nfs/dbraw/zinc/97/42/13/589974213.db2.gz UDCXEWBLNWBXIL-LSDHHAIUSA-N 0 0 341.371 0.883 10 0 ECAERN COCCN1CCN(C(=O)NCC[S@@](=O)C(C)(C)C)C[C@H]1C ZINC000120142778 590088863 /nfs/dbraw/zinc/08/88/63/590088863.db2.gz MHICYKXGNOMWQI-DMZKTXOQSA-N 0 0 333.498 0.896 10 0 ECAERN COCCN1CCN(C(=O)NCC[S@@](=O)C(C)(C)C)C[C@@H]1C ZINC000120142931 590088976 /nfs/dbraw/zinc/08/89/76/590088976.db2.gz MHICYKXGNOMWQI-XMHCIUCPSA-N 0 0 333.498 0.896 10 0 ECAERN C[C@@H]1CN(Cn2c3ccc(Cl)cc3oc2=O)C[C@@H](C(N)=O)O1 ZINC000120161799 590092164 /nfs/dbraw/zinc/09/21/64/590092164.db2.gz YSSANHQHLMLKJX-PELKAZGASA-N 0 0 325.752 0.780 10 0 ECAERN Cc1ccn(CC(=O)N2CC[C@@H](c3cc(=O)[nH]c(N(C)C)n3)C2)n1 ZINC000864835050 590109111 /nfs/dbraw/zinc/10/91/11/590109111.db2.gz GCMAMKMAIAZPJI-GFCCVEGCSA-N 0 0 330.392 0.769 10 0 ECAERN CC[C@]1(c2cnn(C)c2)NC(=O)N(CN2CCC([C@H](C)O)CC2)C1=O ZINC000124198259 590139979 /nfs/dbraw/zinc/13/99/79/590139979.db2.gz LIWHAJKAWPEPPQ-YVEFUNNKSA-N 0 0 349.435 0.628 10 0 ECAERN Cn1nccc1[C@H]1[C@H](CNC(=O)c2cnn3c2CCC3)OCCN1C ZINC000886055397 590788997 /nfs/dbraw/zinc/78/89/97/590788997.db2.gz AAOMBMVNALRQAT-HOTGVXAUSA-N 0 0 344.419 0.365 10 0 ECAERN Cn1cnnc1C[C@@]1(O)CCCN(c2nnnn2-c2ccccc2)C1 ZINC000886065515 590789572 /nfs/dbraw/zinc/78/95/72/590789572.db2.gz HQRWFCSANASPSW-INIZCTEOSA-N 0 0 340.391 0.365 10 0 ECAERN CO[C@H]1CCCCN(CC(=O)N2CCN(c3ccccn3)CC2)C1=O ZINC000886077681 590791591 /nfs/dbraw/zinc/79/15/91/590791591.db2.gz BSIQMGAFOGNYDC-HNNXBMFYSA-N 0 0 346.431 0.758 10 0 ECAERN Cn1nccc1[C@@H]1[C@@H](C(=O)N2CC3(C2)CCCOC3)CCC(=O)N1C ZINC000886078506 590791649 /nfs/dbraw/zinc/79/16/49/590791649.db2.gz YQPJXMWQVNHJJI-BBRMVZONSA-N 0 0 346.431 0.969 10 0 ECAERN COc1nc(C)ccc1C(=O)N1CCC[C@@](O)(Cc2nncn2C)C1 ZINC000886084856 590792564 /nfs/dbraw/zinc/79/25/64/590792564.db2.gz LPTZOQDCIDESOE-QGZVFWFLSA-N 0 0 345.403 0.737 10 0 ECAERN CO[C@@H]1CN(C(=O)c2cccc3nc[nH]c32)C[C@H]1c1cn(C)nn1 ZINC000886085022 590793536 /nfs/dbraw/zinc/79/35/36/590793536.db2.gz VDNHKOUWHMSRFD-SMDDNHRTSA-N 0 0 326.360 0.946 10 0 ECAERN O=C([O-])[C@]1([NH+]2CCN(C(=O)Cc3ccc(F)cc3)CC2)CCOC1 ZINC000886097203 590795845 /nfs/dbraw/zinc/79/58/45/590795845.db2.gz TUELUYBBLIRDMP-KRWDZBQOSA-N 0 0 336.363 0.756 10 0 ECAERN C[C@@H](CNC(=O)NCc1cccnc1-n1ccnc1)N1CCOCC1 ZINC000049007268 611468204 /nfs/dbraw/zinc/46/82/04/611468204.db2.gz OFXWUZAGDXBRCM-AWEZNQCLSA-N 0 0 344.419 0.787 10 0 ECAERN Cc1ccsc1C(=O)NCCc1nc2c([nH]1)n(C)c(=O)n(C)c2=O ZINC000222479243 609080218 /nfs/dbraw/zinc/08/02/18/609080218.db2.gz RCUGDLIUKZSWBB-UHFFFAOYSA-N 0 0 347.400 0.303 10 0 ECAERN COC[C@H]1NC(=O)CC[C@H]1C(=O)N1CCN(c2ccccn2)CC1 ZINC000169787900 609746525 /nfs/dbraw/zinc/74/65/25/609746525.db2.gz QTQBJPWWDXAQBD-ZIAGYGMSSA-N 0 0 332.404 0.271 10 0 ECAERN O=C(NCCn1cccn1)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000172138077 609768332 /nfs/dbraw/zinc/76/83/32/609768332.db2.gz JIDOSZMFECBZFY-KRWDZBQOSA-N 0 0 343.431 0.944 10 0 ECAERN O=C(NCCn1cccn1)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000172138073 609768410 /nfs/dbraw/zinc/76/84/10/609768410.db2.gz JIDOSZMFECBZFY-QGZVFWFLSA-N 0 0 343.431 0.944 10 0 ECAERN CC(C)(C)n1nnn(CN2CC[C@H](N3CCOCC3)C2)c1=S ZINC000172962075 609777148 /nfs/dbraw/zinc/77/71/48/609777148.db2.gz ASLQGBSUMCWNHF-LBPRGKRZSA-N 0 0 326.470 0.928 10 0 ECAERN CCC[C@@H]1CC(=O)N(CN2CCN(c3ccc4nncn4n3)CC2)C1 ZINC000173360215 609779929 /nfs/dbraw/zinc/77/99/29/609779929.db2.gz LRGBRCOSQKMCKB-CQSZACIVSA-N 0 0 343.435 0.852 10 0 ECAERN C[C@@H](NC(N)=O)C(=O)NC1CCN(c2ccc(N(C)C)cc2)CC1 ZINC000174281549 609789862 /nfs/dbraw/zinc/78/98/62/609789862.db2.gz VDJDYSHQBBGQMI-GFCCVEGCSA-N 0 0 333.436 0.894 10 0 ECAERN C[C@@H](CN1CCOCC1)OC(=O)Cn1c(=O)cnc2ccccc21 ZINC000179515244 609836055 /nfs/dbraw/zinc/83/60/55/609836055.db2.gz HWVJSRJWPVPGNE-ZDUSSCGKSA-N 0 0 331.372 0.660 10 0 ECAERN O=C(c1ccc(=O)n(-c2ccccc2F)n1)N1CCOC[C@@H]1CO ZINC000912419728 609956807 /nfs/dbraw/zinc/95/68/07/609956807.db2.gz WVVCIACFCVGLFX-NSHDSACASA-N 0 0 333.319 0.205 10 0 ECAERN CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@@H](n2cc(C3CC3)nn2)C1 ZINC000912941600 610023114 /nfs/dbraw/zinc/02/31/14/610023114.db2.gz QJJJVROLCSVBDK-ZYHUDNBSSA-N 0 0 341.437 0.257 10 0 ECAERN NC(=O)CN1C[C@@H](OC(=O)Cc2cccc(OC(F)F)c2)CC1=O ZINC000070040405 610258109 /nfs/dbraw/zinc/25/81/09/610258109.db2.gz ZCTMUPWLSUXLBN-NSHDSACASA-N 0 0 342.298 0.460 10 0 ECAERN Cc1ccc(S(=O)(=O)c2cnc(S(C)(=O)=O)nc2N)cc1 ZINC000057478019 611306643 /nfs/dbraw/zinc/30/66/43/611306643.db2.gz JDLPLKOQLFNAPL-UHFFFAOYSA-N 0 0 327.387 0.604 10 0 ECAERN O=C(C[C@@H]1CCCOC1)N1CCN(c2ccc3nncn3n2)CC1 ZINC000193300319 612209301 /nfs/dbraw/zinc/20/93/01/612209301.db2.gz MEEOGDFHNHRWLH-ZDUSSCGKSA-N 0 0 330.392 0.590 10 0 ECAERN CC(=O)N1CSC[C@H]1C(=O)N[C@H]1CCc2nnc(C(C)C)n2C1 ZINC000195286420 612373655 /nfs/dbraw/zinc/37/36/55/612373655.db2.gz UJOJIWZTNQYAHC-RYUDHWBXSA-N 0 0 337.449 0.754 10 0 ECAERN C[C@@H]1CN(C(=O)C(=O)Nc2ccc(-n3ccnc3)nc2)C[C@@H](C)O1 ZINC000193696043 612443372 /nfs/dbraw/zinc/44/33/72/612443372.db2.gz FJRCWAWZEWNATK-VXGBXAGGSA-N 0 0 329.360 0.842 10 0 ECAERN CCCn1cc(NC(=O)C(=O)N2CCN(C[C@H](C)O)[C@@H](C)C2)cn1 ZINC000246304107 612894374 /nfs/dbraw/zinc/89/43/74/612894374.db2.gz YFMCDDOPQMBMGH-STQMWFEESA-N 0 0 337.424 0.145 10 0 ECAERN CCn1cc(C(=O)N[C@@H]2CCCN(c3cc(C)nn3C)C2=O)cn1 ZINC000174986414 231360453 /nfs/dbraw/zinc/36/04/53/231360453.db2.gz MSALUXSCMZDSBO-CYBMUJFWSA-N 0 0 330.392 0.870 10 0 ECAERN CCc1cc(N2CCC(NC(=O)[C@H]3C[C@H]3C(=O)OC)CC2)ncn1 ZINC000177191249 529530733 /nfs/dbraw/zinc/53/07/33/529530733.db2.gz CVVFQYWQWCZRHD-UONOGXRCSA-N 0 0 332.404 0.933 10 0 ECAERN CCc1ccc(C(=O)NC[C@@H]2CN(C)CCO2)cc1S(C)(=O)=O ZINC000130848194 529604621 /nfs/dbraw/zinc/60/46/21/529604621.db2.gz WGQFYHCVILPGRW-CQSZACIVSA-N 0 0 340.445 0.713 10 0 ECAERN CCNC(=O)O[C@@H]1CO[C@@H]2[C@@H](NC(=O)c3cccs3)CO[C@H]12 ZINC000004235744 210149023 /nfs/dbraw/zinc/14/90/23/210149023.db2.gz ATCXCCYSKYBRCT-LUTQBAROSA-N 0 0 326.374 0.759 10 0 ECAERN Cc1nc(S(=O)(=O)N2CCC(N3CCO[C@@H](C)C3)CC2)cn1C ZINC000066100719 215010473 /nfs/dbraw/zinc/01/04/73/215010473.db2.gz FKNCPTHGHZYVBJ-LBPRGKRZSA-N 0 0 342.465 0.602 10 0 ECAERN Cc1csc([C@@H]2CN(Cc3nc(N)nc(N(C)C)n3)CCO2)n1 ZINC000103473198 219304777 /nfs/dbraw/zinc/30/47/77/219304777.db2.gz QRBIXDMPZHLIGW-JTQLQIEISA-N 0 0 335.437 0.858 10 0 ECAERN CN1CCN(C(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2ccccc2)CC1=O ZINC000172609847 282906619 /nfs/dbraw/zinc/90/66/19/282906619.db2.gz SJHAXWKXLFRXRQ-PBHICJAKSA-N 0 0 329.400 0.897 10 0 ECAERN COc1cccc(C(=O)NCC(=O)N[C@@H]2CCc3ncnn3C2)c1 ZINC000183572098 235145521 /nfs/dbraw/zinc/14/55/21/235145521.db2.gz TYDGMNOLVJLZCD-GFCCVEGCSA-N 0 0 329.360 0.148 10 0 ECAERN O=S1(=O)C[C@H](O)[C@@H](NCc2cc(F)ccc2Br)C1 ZINC000038039222 213195959 /nfs/dbraw/zinc/19/59/59/213195959.db2.gz OXETWIHWHZKBRP-QWRGUYRKSA-N 0 0 338.198 0.836 10 0 ECAERN CN(Cc1nnc2n1CCC2)S(=O)(=O)c1ncn(C)c1Cl ZINC000037984307 213183422 /nfs/dbraw/zinc/18/34/22/213183422.db2.gz BGTMHSNNOFBXPK-UHFFFAOYSA-N 0 0 330.801 0.432 10 0 ECAERN COc1ccc(Br)cc1CN(C)C(=O)[C@@H](N)CC(N)=O ZINC000037798787 213168240 /nfs/dbraw/zinc/16/82/40/213168240.db2.gz KDMJUKIHWPDBTG-JTQLQIEISA-N 0 0 344.209 0.619 10 0 ECAERN COCC(=O)NC1CN(C(=O)c2ccc(C(=O)c3cc[nH]c3)cc2)C1 ZINC000186317515 235875945 /nfs/dbraw/zinc/87/59/45/235875945.db2.gz MJYPNZKDKAAMAB-UHFFFAOYSA-N 0 0 341.367 0.833 10 0 ECAERN COC(=O)c1cc(S(=O)(=O)NCCO)c(Br)s1 ZINC000035610830 213042177 /nfs/dbraw/zinc/04/21/77/213042177.db2.gz DKEOFEDLJJACNX-UHFFFAOYSA-N 0 0 344.208 0.568 10 0 ECAERN CCc1onc(C)c1NC(=O)C(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188021647 236387470 /nfs/dbraw/zinc/38/74/70/236387470.db2.gz MNWZLVCQBYMAHT-UHFFFAOYSA-N 0 0 334.376 0.611 10 0 ECAERN O=C([C@@H]1CC(=O)N(C2CCCC2)C1)N1CC[C@@H](N2CCOCC2)C1 ZINC000172748299 295996595 /nfs/dbraw/zinc/99/65/95/295996595.db2.gz BDBPBJHWJJAHRE-GDBMZVCRSA-N 0 0 335.448 0.711 10 0 ECAERN [NH3+][C@@H]1CCN(c2nc3c(cc2F)c(=O)c(C(=O)[O-])cn3CCF)C1 ZINC000029327133 212662822 /nfs/dbraw/zinc/66/28/22/212662822.db2.gz OMDGGTYCELVKRG-MRVPVSSYSA-N 0 0 338.314 0.741 10 0 ECAERN CNC(=O)[C@H]1CN(C(=O)Cc2ccc(OC)cc2)Cc2cn(C)nc21 ZINC000072345649 216159768 /nfs/dbraw/zinc/15/97/68/216159768.db2.gz FGUBFHQTFLVGDD-HNNXBMFYSA-N 0 0 342.399 0.843 10 0 ECAERN COC(=O)Cc1nn(-c2cccc(F)c2)c2c1nnc1ncnn12 ZINC000072463922 216246389 /nfs/dbraw/zinc/24/63/89/216246389.db2.gz ZDFFXOSDUBGGMZ-UHFFFAOYSA-N 0 0 327.279 0.713 10 0 ECAERN CCn1cc(C(=O)C(=O)N2CCCN(c3ccc(C)nn3)CC2)cn1 ZINC000130649496 223166972 /nfs/dbraw/zinc/16/69/72/223166972.db2.gz YXEIUJZBIDXUJB-UHFFFAOYSA-N 0 0 342.403 0.923 10 0 ECAERN Cc1nc(NC(=O)C(=O)N2CCO[C@@H](Cn3cccn3)C2)sc1C ZINC000193105398 240024485 /nfs/dbraw/zinc/02/44/85/240024485.db2.gz DTFYAAKDBNFWNR-GFCCVEGCSA-N 0 0 349.416 0.823 10 0 ECAERN C[C@@H]1CN(C(=O)C(=O)Nc2ccc(F)cn2)C[C@@H]1N1CCOCC1 ZINC000193718324 240279195 /nfs/dbraw/zinc/27/91/95/240279195.db2.gz MLWDMYGQHZNULD-YPMHNXCESA-N 0 0 336.367 0.338 10 0 ECAERN O=c1oc2cc(O[C@@H]3OC[C@H](O)[C@H](O)[C@@H]3O)ccc2c2c1CCCC2 ZINC000254559007 244044424 /nfs/dbraw/zinc/04/44/24/244044424.db2.gz TUFBIYDHLYDRIV-MBGYTDRXSA-N 0 0 348.351 0.490 10 0 ECAERN C[C@H](NC(=O)N(C)CCN1CCOCC1)C(=O)N1CCCCC1 ZINC000077619988 216944846 /nfs/dbraw/zinc/94/48/46/216944846.db2.gz YGBJUUDRYPXUEF-AWEZNQCLSA-N 0 0 326.441 0.361 10 0 ECAERN CN[C@@H](C(=O)NCC(=O)NCc1ccc(OC)cc1)c1cnn(C)c1 ZINC000262489745 245000373 /nfs/dbraw/zinc/00/03/73/245000373.db2.gz HMGDRSPMKUGNPE-MRXNPFEDSA-N 0 0 345.403 0.122 10 0 ECAERN C[N@@H+](CC(=O)[O-])C[C@H]1CN(C(=O)COCc2ccccc2)CCO1 ZINC000262919052 245250893 /nfs/dbraw/zinc/25/08/93/245250893.db2.gz KTVANUBXDHMVBR-HNNXBMFYSA-N 0 0 336.388 0.447 10 0 ECAERN Cc1ccc(S(=O)(=O)Cn2nnnc2CN2CCOCC2)cc1 ZINC000019211261 212004009 /nfs/dbraw/zinc/00/40/09/212004009.db2.gz BIGKFUIFPXICPV-UHFFFAOYSA-N 0 0 337.405 0.245 10 0 ECAERN C[C@@H](CNC(=O)[C@H](C)n1nnc(-c2ccccc2)n1)N1CCOCC1 ZINC000079506531 217236345 /nfs/dbraw/zinc/23/63/45/217236345.db2.gz MKEWJRIYAMWXCQ-KBPBESRZSA-N 0 0 344.419 0.738 10 0 ECAERN CC(=O)NCCNC(=O)CCC(=O)N1CCC[C@H](n2cc(C)cn2)C1 ZINC000111613469 220170842 /nfs/dbraw/zinc/17/08/42/220170842.db2.gz LFQCGCSRHDFJJC-HNNXBMFYSA-N 0 0 349.435 0.388 10 0 ECAERN COCCn1ccc(NC(=O)N2CCN(CCOC)[C@H](C)C2)n1 ZINC000150820683 223744467 /nfs/dbraw/zinc/74/44/67/223744467.db2.gz YPKJHHBJHOUEBI-CYBMUJFWSA-N 0 0 325.413 0.714 10 0 ECAERN C[C@@H](C(=O)N1CC(NC(=O)C2CC2)C1)n1nnc(-c2ccccc2)n1 ZINC000189365133 437592774 /nfs/dbraw/zinc/59/27/74/437592774.db2.gz UCHNCXJPJWQIKB-NSHDSACASA-N 0 0 340.387 0.638 10 0 ECAERN COc1cc(C(=O)N2CCOC[C@@H]2C(N)=O)sc1Br ZINC000091783633 218066123 /nfs/dbraw/zinc/06/61/23/218066123.db2.gz LOBZZYGVKVOXLG-ZCFIWIBFSA-N 0 0 349.206 0.846 10 0 ECAERN Cn1cnc(CNC(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccc(F)cc2)n1 ZINC000091887501 218082824 /nfs/dbraw/zinc/08/28/24/218082824.db2.gz UBVGDNHPKARPPQ-WFASDCNBSA-N 0 0 331.351 0.790 10 0 ECAERN C[C@H](NC(=O)C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1)C1CC1 ZINC000092634618 218155676 /nfs/dbraw/zinc/15/56/76/218155676.db2.gz VLBUNDXDQHKONG-JTQLQIEISA-N 0 0 329.360 0.424 10 0 ECAERN COCCN1CCN(C(=O)N[C@H](C)[C@@H](C)N2CCOCC2)C[C@@H]1C ZINC000247131915 285043901 /nfs/dbraw/zinc/04/39/01/285043901.db2.gz ONJGPNNGUUOYSY-ARFHVFGLSA-N 0 0 342.484 0.458 10 0 ECAERN CNc1cc(N2CCC[C@H]2CNC(=O)C(=O)NCC2CC2)ncn1 ZINC000191880200 533050694 /nfs/dbraw/zinc/05/06/94/533050694.db2.gz BZVKGPZXGIMPDT-LBPRGKRZSA-N 0 0 332.408 0.130 10 0 ECAERN C[C@H](NC(=O)Nc1ccccc1)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000112661401 220367904 /nfs/dbraw/zinc/36/79/04/220367904.db2.gz IHTKJZUUQQNDQN-WCQYABFASA-N 0 0 328.376 0.919 10 0 ECAERN O=C(CCc1nc(-c2ccco2)no1)N[C@@H]1CCc2ncnn2C1 ZINC000112662624 220368129 /nfs/dbraw/zinc/36/81/29/220368129.db2.gz XSPUDDWFCJCJGP-SNVBAGLBSA-N 0 0 328.332 0.985 10 0 ECAERN O=C(NCCN1C(=O)CNC1=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000113372936 220529050 /nfs/dbraw/zinc/52/90/50/220529050.db2.gz RMVJOPFDGYYMFV-RKDXNWHRSA-N 0 0 336.314 0.959 10 0 ECAERN CCS(=O)(=O)CC(=O)N1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC000116772581 220987956 /nfs/dbraw/zinc/98/79/56/220987956.db2.gz VIRXPFSHSKILHX-CYBMUJFWSA-N 0 0 328.438 0.568 10 0 ECAERN COCCOCCNC(=O)N1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC000117034877 221025568 /nfs/dbraw/zinc/02/55/68/221025568.db2.gz BTFXTKHCBNTDFZ-HNNXBMFYSA-N 0 0 339.440 0.980 10 0 ECAERN COCCn1cc(NC(=O)N2CCN(CCOC)[C@@H](C)C2)cn1 ZINC000117398371 221060409 /nfs/dbraw/zinc/06/04/09/221060409.db2.gz LTOCUTNDTCOPLG-ZDUSSCGKSA-N 0 0 325.413 0.714 10 0 ECAERN COCCN1CCN(C(=O)NCCCN2CCCC2=O)C[C@H]1C ZINC000117467517 221066532 /nfs/dbraw/zinc/06/65/32/221066532.db2.gz CXCUAENDTPHREU-CQSZACIVSA-N 0 0 326.441 0.361 10 0 ECAERN COCCN1CCN(C(=O)CNC(=O)Cc2ccccc2)C[C@@H]1C ZINC000117285142 221043952 /nfs/dbraw/zinc/04/39/52/221043952.db2.gz MQXCVSYFDGUDIO-HNNXBMFYSA-N 0 0 333.432 0.524 10 0 ECAERN Cc1cnn(CCNC(=O)C(=O)Nc2ccc3c(c2)CCC(=O)N3)c1 ZINC000118133744 221128124 /nfs/dbraw/zinc/12/81/24/221128124.db2.gz WBDKPHURJBOICL-UHFFFAOYSA-N 0 0 341.371 0.831 10 0 ECAERN CN1CCO[C@H](CNC(=O)C(=O)Nc2ccc(F)c(F)c2F)C1 ZINC000118115562 221121216 /nfs/dbraw/zinc/12/12/16/221121216.db2.gz MKBORUFQZKGRSJ-MRVPVSSYSA-N 0 0 331.294 0.489 10 0 ECAERN CN1CCO[C@@H](CNC(=O)NC[C@@](C)(O)c2ccc(F)cc2)C1 ZINC000118979216 221216393 /nfs/dbraw/zinc/21/63/93/221216393.db2.gz JBZJEMHPRACGHN-GOEBONIOSA-N 0 0 325.384 0.663 10 0 ECAERN CN(C)c1ncc(NC(=O)C(=O)N2CCN3CCCC[C@@H]3C2)cn1 ZINC000119237119 221273225 /nfs/dbraw/zinc/27/32/25/221273225.db2.gz BOXCBXMJIWGKKZ-CYBMUJFWSA-N 0 0 332.408 0.178 10 0 ECAERN Cc1ccnc(OC[C@@]23COC[C@@H]2CN(C(=O)c2cnccn2)C3)n1 ZINC000253477068 257658806 /nfs/dbraw/zinc/65/88/06/257658806.db2.gz CSBXNRPIFBEPRE-SUMWQHHRSA-N 0 0 341.371 0.743 10 0 ECAERN CCCS(=O)(=O)N1CC[C@@]2(C1)C[C@@H](N1CCCC1=O)CCO2 ZINC000249693933 257660208 /nfs/dbraw/zinc/66/02/08/257660208.db2.gz OEPSQUSLEKRUEB-ZFWWWQNUSA-N 0 0 330.450 0.972 10 0 ECAERN Cc1ccc(C(=O)N2C[C@@H]3OC[C@H](CNS(C)(=O)=O)[C@@H]3C2)cn1 ZINC000248124215 257664019 /nfs/dbraw/zinc/66/40/19/257664019.db2.gz WGTXQEQBWZRDHT-IHRRRGAJSA-N 0 0 339.417 0.026 10 0 ECAERN CNC(=O)[C@@H]1C[C@@H]2OCC[C@@H]2N(S(=O)(=O)c2cccc(C)c2)C1 ZINC000248022753 257669158 /nfs/dbraw/zinc/66/91/58/257669158.db2.gz MVMREAFZDRPGLN-SNPRPXQTSA-N 0 0 338.429 0.909 10 0 ECAERN Cc1cccc(CN2CCO[C@@H]3CN(S(=O)(=O)C4CC4)C[C@@H]32)n1 ZINC000247902786 257674290 /nfs/dbraw/zinc/67/42/90/257674290.db2.gz ZRNXSDBRMLWAPM-JKSUJKDBSA-N 0 0 337.445 0.767 10 0 ECAERN COc1ccc(CC(=O)N2CC[C@@H]3[C@@H]2CCN3S(C)(=O)=O)cc1 ZINC000247898267 257674645 /nfs/dbraw/zinc/67/46/45/257674645.db2.gz DNTKOLGABQQEOY-LSDHHAIUSA-N 0 0 338.429 0.873 10 0 ECAERN Fc1cnc(N2CCOC[C@@]3(CC[C@@H](Cn4cncn4)O3)C2)nc1 ZINC000306126242 257918225 /nfs/dbraw/zinc/91/82/25/257918225.db2.gz DQPMTQJTHXIIKQ-DZGCQCFKSA-N 0 0 334.355 0.662 10 0 ECAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)COc1c(C)nn(C)c1C ZINC000155227277 533283802 /nfs/dbraw/zinc/28/38/02/533283802.db2.gz VWGZVOYLKVGEDF-LBPRGKRZSA-N 0 0 348.407 0.805 10 0 ECAERN Cc1cc(CN2CCN(C(=O)N[C@@H]3CCCn4ncnc43)CC2)on1 ZINC000177337374 533612422 /nfs/dbraw/zinc/61/24/22/533612422.db2.gz PQFYFRONARWFHP-CQSZACIVSA-N 0 0 345.407 0.937 10 0 ECAERN Cc1ccc(N[C@@H]2CN(S(C)(=O)=O)C[C@@H]3CCCO[C@H]23)nn1 ZINC000097953521 292161983 /nfs/dbraw/zinc/16/19/83/292161983.db2.gz LBFYPCUWVKAHLD-SCRDCRAPSA-N 0 0 326.422 0.636 10 0 ECAERN CCN(CC)C(=O)[C@@H]1CCCN1C(=O)NCCNC(=O)C(C)C ZINC000073499211 296614135 /nfs/dbraw/zinc/61/41/35/296614135.db2.gz HVMIZGAWDMWQRP-ZDUSSCGKSA-N 0 0 326.441 0.801 10 0 ECAERN CCOCCN1CCN(CC(=O)NC(=O)NC(C)(C)C)C[C@@H]1C ZINC000105834493 286088682 /nfs/dbraw/zinc/08/86/82/286088682.db2.gz AGSVNYMXWINQCK-ZDUSSCGKSA-N 0 0 328.457 0.653 10 0 ECAERN O=C(NC[C@H](O)CN1CCOCC1)c1ccc2ccccc2c1O ZINC000129509091 296662402 /nfs/dbraw/zinc/66/24/02/296662402.db2.gz LLKZORYNWYJJTA-AWEZNQCLSA-N 0 0 330.384 0.968 10 0 ECAERN CS(=O)(=O)N1CC[C@H]2OCC[C@@]2(C(=O)NCc2ccccn2)C1 ZINC000096064869 286612216 /nfs/dbraw/zinc/61/22/16/286612216.db2.gz STTLALAKXIYHOM-UKRRQHHQSA-N 0 0 339.417 0.138 10 0 ECAERN NC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)NC1CCCCC1 ZINC000058899407 164568890 /nfs/dbraw/zinc/56/88/90/164568890.db2.gz INQFJEPHRZTSLZ-HNNXBMFYSA-N 0 0 346.431 0.831 10 0 ECAERN Cc1ccc(C)c(OCCC(=O)NC[C@H](O)CN2CCOCC2)c1 ZINC000154122824 164761416 /nfs/dbraw/zinc/76/14/16/164761416.db2.gz UTXBVYAEHZKQRZ-INIZCTEOSA-N 0 0 336.432 0.882 10 0 ECAERN COc1ccc(S(=O)(=O)N2CC[C@@H](N3CCOCC3)C2)cc1 ZINC000174000435 164865149 /nfs/dbraw/zinc/86/51/49/164865149.db2.gz YIPYSANZDWLHRF-CYBMUJFWSA-N 0 0 326.418 0.790 10 0 ECAERN CNC(=O)[C@H](NC(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1)C(C)C ZINC000178683769 164919269 /nfs/dbraw/zinc/91/92/69/164919269.db2.gz PCQYWNNUPJNFNR-ZIAGYGMSSA-N 0 0 338.452 0.801 10 0 ECAERN C[C@H](N1CCN(C(=O)NCC(=O)NCC2CC2)CC1)C(F)(F)F ZINC000183786107 164959453 /nfs/dbraw/zinc/95/94/53/164959453.db2.gz OFDKIQHHBAFZJU-JTQLQIEISA-N 0 0 336.358 0.791 10 0 ECAERN O=C(NC1CN(C(=O)c2cnn(-c3ccc(F)cc3)n2)C1)C1CC1 ZINC000189389088 165010170 /nfs/dbraw/zinc/01/01/70/165010170.db2.gz PTVFWMJECLOLCS-UHFFFAOYSA-N 0 0 329.335 0.757 10 0 ECAERN Cc1ccc(S(=O)(=O)N[C@@H]2CCc3ncnn3C2)c(Cl)n1 ZINC000189616685 165013114 /nfs/dbraw/zinc/01/31/14/165013114.db2.gz CCRHDKTUGNPTRI-SECBINFHSA-N 0 0 327.797 0.928 10 0 ECAERN CCCN1CCCN(C(=O)NC[C@H](C)N2CCOCC2)CC1=O ZINC000190123125 165018259 /nfs/dbraw/zinc/01/82/59/165018259.db2.gz HIBFMDWRQCPXDG-AWEZNQCLSA-N 0 0 326.441 0.361 10 0 ECAERN C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1cnc(N(C)C)nc1 ZINC000190090030 165018335 /nfs/dbraw/zinc/01/83/35/165018335.db2.gz MPZDEXXVLPUKSO-DGCLKSJQSA-N 0 0 332.408 0.176 10 0 ECAERN Cc1c(NC(=O)C(=O)N2CCCNC(=O)[C@@H]2C)cccc1N(C)C ZINC000190682375 165023448 /nfs/dbraw/zinc/02/34/48/165023448.db2.gz LDACKUNXYUETCD-LBPRGKRZSA-N 0 0 332.404 0.737 10 0 ECAERN CCNC(=O)c1cccc(CNC(=O)N2CCCNC(=O)[C@@H]2C)c1 ZINC000191261136 165031101 /nfs/dbraw/zinc/03/11/01/165031101.db2.gz SVWPFIYRGLRUEX-LBPRGKRZSA-N 0 0 332.404 0.856 10 0 ECAERN C[C@H](C1CC1)n1nccc1NC(=O)C(=O)NC[C@H]1CN(C)CCO1 ZINC000192022717 165038925 /nfs/dbraw/zinc/03/89/25/165038925.db2.gz KPQHAXJDENVTDN-YPMHNXCESA-N 0 0 335.408 0.239 10 0 ECAERN COc1ccc(Cl)cc1CNC(=O)[C@H]1C[C@@H](O)CN1C(C)=O ZINC000192732987 165047316 /nfs/dbraw/zinc/04/73/16/165047316.db2.gz DUGLNEZEECRADO-CHWSQXEVSA-N 0 0 326.780 0.947 10 0 ECAERN CC[C@H](O)CN(Cc1ccccc1)C(=O)[C@H]1C[C@@H](O)CN1C(C)=O ZINC000193616507 165059032 /nfs/dbraw/zinc/05/90/32/165059032.db2.gz JYOUQZDXAPTSSR-GVDBMIGSSA-N 0 0 334.416 0.768 10 0 ECAERN C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NC[C@H]1CN(C)CCO1 ZINC000194630850 165068128 /nfs/dbraw/zinc/06/81/28/165068128.db2.gz MHUYTTSISHFDLI-RISCZKNCSA-N 0 0 339.823 0.905 10 0 ECAERN O=C(CS[C@@H]1CCS(=O)(=O)C1)N1CCN2CCCC[C@H]2C1 ZINC000195085344 165074197 /nfs/dbraw/zinc/07/41/97/165074197.db2.gz QJUXUEFIVDWFMD-QWHCGFSZSA-N 0 0 332.491 0.603 10 0 ECAERN CNS(=O)(=O)c1ccc(C(=O)N2CCN3CCCC[C@H]3C2)o1 ZINC000195059995 165075526 /nfs/dbraw/zinc/07/55/26/165075526.db2.gz CGULTBSXYWSIJZ-NSHDSACASA-N 0 0 327.406 0.498 10 0 ECAERN CCc1csc([C@@H]2CCCN(CC(=O)N3CCNC(=O)C3)C2)n1 ZINC000195380418 165081054 /nfs/dbraw/zinc/08/10/54/165081054.db2.gz SNHHHQPPQRRFCM-GFCCVEGCSA-N 0 0 336.461 0.843 10 0 ECAERN CC(C)n1nnnc1CS(=O)(=O)CC(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000195427630 165081608 /nfs/dbraw/zinc/08/16/08/165081608.db2.gz RXMPIIQTNHMFNR-RYUDHWBXSA-N 0 0 343.453 0.958 10 0 ECAERN CCn1c(-c2ccc(C(=O)NC)cc2)nc2c1c(=O)[nH]c(=O)n2CC ZINC000195512260 165084156 /nfs/dbraw/zinc/08/41/56/165084156.db2.gz DZXRDLQJQIAGOS-UHFFFAOYSA-N 0 0 341.371 0.953 10 0 ECAERN CN1C(=O)CC[C@H](C(=O)NC[C@@]2(O)CCOC2)[C@@H]1c1ccccc1 ZINC000245749275 165114525 /nfs/dbraw/zinc/11/45/25/165114525.db2.gz XDVISEDRYQVTSL-ZVZYQTTQSA-N 0 0 332.400 0.864 10 0 ECAERN COC[C@@H](C)S(=O)(=O)N1CCCN(Cc2noc(C)n2)CC1 ZINC000246188423 165124904 /nfs/dbraw/zinc/12/49/04/165124904.db2.gz NWYURCOHQQQXDY-LLVKDONJSA-N 0 0 332.426 0.250 10 0 ECAERN C[C@@H]1CN(C(=O)NCC[S@](=O)C(C)(C)C)C[C@@H]1N1CCOCC1 ZINC000246161932 165124909 /nfs/dbraw/zinc/12/49/09/165124909.db2.gz QSPJWTJYUWVEHJ-XXAQJILISA-N 0 0 345.509 0.896 10 0 ECAERN OC[C@@H]1CCCN1c1cc(N2CCO[C@H](Cn3cccn3)C2)ncn1 ZINC000246239942 165126097 /nfs/dbraw/zinc/12/60/97/165126097.db2.gz JDKZKHMPHICZEY-GJZGRUSLSA-N 0 0 344.419 0.540 10 0 ECAERN C[C@H](c1nc(N)nc(N(C)C)n1)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000246431578 165136106 /nfs/dbraw/zinc/13/61/06/165136106.db2.gz LIVBOXIWGZVTLZ-UPJWGTAASA-N 0 0 335.456 0.233 10 0 ECAERN C[C@H](c1nc(N)nc(N(C)C)n1)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000246431568 165136372 /nfs/dbraw/zinc/13/63/72/165136372.db2.gz LIVBOXIWGZVTLZ-JHJVBQTASA-N 0 0 335.456 0.233 10 0 ECAERN CNc1cc(N2CCC[C@@H]2CNC(=O)NC[C@H]2CC[C@@H](O)C2)ncn1 ZINC000248869460 165187727 /nfs/dbraw/zinc/18/77/27/165187727.db2.gz CQUGAKJJMUJJGY-BFHYXJOUSA-N 0 0 348.451 0.947 10 0 ECAERN C[C@@H]1C(=O)NCCCN1C[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000249078241 165193821 /nfs/dbraw/zinc/19/38/21/165193821.db2.gz SCDYQBRQXQCNIP-BXUZGUMPSA-N 0 0 326.418 0.334 10 0 ECAERN O=C(CN1CCO[C@H]2CCCC[C@H]21)N1CCN(c2cnccn2)CC1 ZINC000249742936 165202359 /nfs/dbraw/zinc/20/23/59/165202359.db2.gz KCMMXLUUACOSMU-CVEARBPZSA-N 0 0 345.447 0.769 10 0 ECAERN C[C@H]1OCCN[C@@H]1C(=O)N1CCC(OC[C@H]2CCCCO2)CC1 ZINC000261997127 165274058 /nfs/dbraw/zinc/27/40/58/165274058.db2.gz UEIPFCJJTQAOPE-BMFZPTHFSA-N 0 0 326.437 0.940 10 0 ECAERN C[C@H]1CCCCN1C(=O)CN1CCN(Cc2noc(CN)n2)CC1 ZINC000262138403 165297893 /nfs/dbraw/zinc/29/78/93/165297893.db2.gz DSULHXABZLWOLP-ZDUSSCGKSA-N 0 0 336.440 0.047 10 0 ECAERN CCC[C@H]([NH2+]CC(=O)NCCCN1CCCCCC1=O)C(=O)[O-] ZINC000262283941 165322150 /nfs/dbraw/zinc/32/21/50/165322150.db2.gz LPVJJKFQQOMUHP-ZDUSSCGKSA-N 0 0 327.425 0.738 10 0 ECAERN CCC[C@H]([NH2+]CC(=O)Nc1ccc(S(C)(=O)=O)cc1)C(=O)[O-] ZINC000262300957 165325943 /nfs/dbraw/zinc/32/59/43/165325943.db2.gz QEMXLIYHLSSKOM-LBPRGKRZSA-N 0 0 328.390 0.872 10 0 ECAERN CCC[C@H]([NH2+][C@@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1)C(=O)[O-] ZINC000262298969 165326209 /nfs/dbraw/zinc/32/62/09/165326209.db2.gz PRPHZNYKEJAJQL-CABZTGNLSA-N 0 0 343.405 0.504 10 0 ECAERN CN[C@@H](C(=O)NCc1ccc(-n2ccnc2C)nc1)c1cnn(C)c1 ZINC000262388521 165342419 /nfs/dbraw/zinc/34/24/19/165342419.db2.gz NXKXPOJUHZLRCC-MRXNPFEDSA-N 0 0 339.403 0.886 10 0 ECAERN COc1cc(C(=O)NC[C@@H]2CCCC[C@@H]2O)ccc1OCC(N)=O ZINC000262412742 165347154 /nfs/dbraw/zinc/34/71/54/165347154.db2.gz YEAMHVMZZROAHG-STQMWFEESA-N 0 0 336.388 0.840 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)c2ccc(CNC(N)=O)cc2)C1 ZINC000262681911 165373200 /nfs/dbraw/zinc/37/32/00/165373200.db2.gz AXPWDEIOTUKQCR-UHFFFAOYSA-N 0 0 348.403 0.522 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)c2cc(-n3cccn3)ccn2)C1 ZINC000262799248 165388619 /nfs/dbraw/zinc/38/86/19/165388619.db2.gz MDPAHNHHTGKFTB-UHFFFAOYSA-N 0 0 343.387 0.935 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)CCNC(=O)CC(C)C)C1 ZINC000262791264 165388909 /nfs/dbraw/zinc/38/89/09/165388909.db2.gz KRWXXWYVBJNIBE-UHFFFAOYSA-N 0 0 327.425 0.593 10 0 ECAERN COC(=O)c1cc(S(=O)(=O)N2C[C@H]3OCCN(C)[C@H]3C2)oc1C ZINC000377655118 165609495 /nfs/dbraw/zinc/60/94/95/165609495.db2.gz SREDVHDVMJLMOP-NWDGAFQWSA-N 0 0 344.389 0.078 10 0 ECAERN COc1cccc(CC(=O)N2C[C@@H](C(N)=O)[C@H](C(F)(F)F)C2)n1 ZINC000299745037 296881263 /nfs/dbraw/zinc/88/12/63/296881263.db2.gz QVWXQBDXRWTWAF-NXEZZACHSA-N 0 0 331.294 0.755 10 0 ECAERN CCNC(=O)[C@@H]1CCCN(c2ccc(S(=O)(=O)NC)cn2)C1 ZINC000301287703 296884670 /nfs/dbraw/zinc/88/46/70/296884670.db2.gz ZTZXDKIWEQUYHP-LLVKDONJSA-N 0 0 326.422 0.342 10 0 ECAERN CS(=O)(=O)c1ccccc1NCCCN1CCS(=O)(=O)CC1 ZINC000302026812 296894723 /nfs/dbraw/zinc/89/47/23/296894723.db2.gz QNSVBZKLXYPZHT-UHFFFAOYSA-N 0 0 346.474 0.623 10 0 ECAERN CCS(=O)(=O)N1CC(CNc2ccccc2S(C)(=O)=O)C1 ZINC000302551078 296898739 /nfs/dbraw/zinc/89/87/39/296898739.db2.gz JYZHUDNYBHJSOO-UHFFFAOYSA-N 0 0 332.447 0.784 10 0 ECAERN CCn1ncc2ccc(NC(=O)C(=O)N3CCC[C@H]3C(=O)NC)cc21 ZINC000166721671 226167128 /nfs/dbraw/zinc/16/71/28/226167128.db2.gz NKIZALUTXZXJJD-ZDUSSCGKSA-N 0 0 343.387 0.732 10 0 ECAERN C[C@H]1C[C@@H]1NC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000171069554 226867628 /nfs/dbraw/zinc/86/76/28/226867628.db2.gz LAGZVWLJWPXWFR-JQWIXIFHSA-N 0 0 344.458 0.836 10 0 ECAERN CCn1cc(NC(=O)C(=O)N2CC[C@]3(O)CCCC[C@H]3C2)ccc1=O ZINC000123310900 222254532 /nfs/dbraw/zinc/25/45/32/222254532.db2.gz ZYIOJODCKYYDTO-SCLBCKFNSA-N 0 0 347.415 0.960 10 0 ECAERN COc1ccc(Br)cc1CS(=O)(=O)C[C@H](O)CO ZINC000125160543 222527650 /nfs/dbraw/zinc/52/76/50/222527650.db2.gz BWQMONJOIXHLAH-SNVBAGLBSA-N 0 0 339.207 0.726 10 0 ECAERN COCCOCCC(=O)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000171558767 227139287 /nfs/dbraw/zinc/13/92/87/227139287.db2.gz SRRROSAPDLJQCX-KRWDZBQOSA-N 0 0 336.432 0.917 10 0 ECAERN Cc1ccc(F)c(NC(=O)C(=O)N2CCN(C[C@@H](C)O)[C@@H](C)C2)c1 ZINC000177606375 263153861 /nfs/dbraw/zinc/15/38/61/263153861.db2.gz LDAQQMTXPWPNGF-QWHCGFSZSA-N 0 0 337.395 0.986 10 0 ECAERN Cc1cc(C(=O)N2CCN3CCCC[C@H]3C2)c2c(=O)[nH]n(C)c2n1 ZINC000195060421 263169646 /nfs/dbraw/zinc/16/96/46/263169646.db2.gz OQVFLBNIDLZTAZ-LBPRGKRZSA-N 0 0 329.404 0.880 10 0 ECAERN CC(C)n1nnnc1Cn1cnc2c(nnn2-c2ccccc2)c1=O ZINC000195188456 263170613 /nfs/dbraw/zinc/17/06/13/263170613.db2.gz RHFPZICUYPMEPP-UHFFFAOYSA-N 0 0 337.347 0.593 10 0 ECAERN NC(=O)[C@]1(O)CCCN(C(=O)COc2ccc3c(c2)CCCC3)C1 ZINC000284824888 264242490 /nfs/dbraw/zinc/24/24/90/264242490.db2.gz CDJZVHFLKAVZGD-SFHVURJKSA-N 0 0 332.400 0.783 10 0 ECAERN CC(=O)NCCN(C(=O)[C@@H](C)[N@H+](C)Cc1ccccc1)[C@@H](C)C(=O)[O-] ZINC000262235583 277032270 /nfs/dbraw/zinc/03/22/70/277032270.db2.gz NVDILSVYQDQGNI-KGLIPLIRSA-N 0 0 349.431 0.945 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)C(=O)Nc2ccnn2C(C)C)CC1 ZINC000189453376 437598175 /nfs/dbraw/zinc/59/81/75/437598175.db2.gz VFMQOEVLZVXZBT-ZDUSSCGKSA-N 0 0 337.424 0.318 10 0 ECAERN O=C(NC1CC1)c1ccc(C(=O)N2CC(NC(=O)C3CC3)C2)cc1 ZINC000189422462 437599586 /nfs/dbraw/zinc/59/95/86/437599586.db2.gz YIGIIVZMBLHCPX-UHFFFAOYSA-N 0 0 327.384 0.929 10 0 ECAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N(Cc1ccccc1)CC(C)(C)O ZINC000193758276 278072469 /nfs/dbraw/zinc/07/24/69/278072469.db2.gz ANXPOKXBOFJFJX-HZPDHXFCSA-N 0 0 334.416 0.768 10 0 ECAERN C=C1c2ccccc2C(=O)N1CC(=O)N1CC(NC(=O)C2CC2)C1 ZINC000189469225 437602141 /nfs/dbraw/zinc/60/21/41/437602141.db2.gz SGYCLCMLOPMFBF-UHFFFAOYSA-N 0 0 325.368 0.850 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)C(=O)Nc2cc(C)cc(F)c2)CC1 ZINC000189461600 437602658 /nfs/dbraw/zinc/60/26/58/437602658.db2.gz VVWRECAXOQLBJA-OAHLLOKOSA-N 0 0 337.395 0.988 10 0 ECAERN CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000194140769 280291608 /nfs/dbraw/zinc/29/16/08/280291608.db2.gz XDZPCZDUJQRLGY-QWRGUYRKSA-N 0 0 339.358 0.479 10 0 ECAERN CC[C@H]1[C@@H](CO)CCN1C(=O)NC1CC([N@H+](CC)CC(=O)[O-])C1 ZINC000263458453 281269397 /nfs/dbraw/zinc/26/93/97/281269397.db2.gz IBZMOEPZQFOUTP-RYSNWHEDSA-N 0 0 327.425 0.726 10 0 ECAERN CC(C)CCNC(=O)N1CCS(=O)(=O)C[C@H]1c1cnn(C)c1 ZINC000189955813 437613577 /nfs/dbraw/zinc/61/35/77/437613577.db2.gz QTOVSYHCBWGNPB-ZDUSSCGKSA-N 0 0 328.438 0.947 10 0 ECAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)N1CCN(c2ncccn2)CC1 ZINC000175882790 293517200 /nfs/dbraw/zinc/51/72/00/293517200.db2.gz WQHYGTAQJFMRGD-CYBMUJFWSA-N 0 0 342.407 0.743 10 0 ECAERN CCc1nn(C)cc1CNC(=O)N1CCS(=O)(=O)C[C@H](C)C1 ZINC000333009887 297099815 /nfs/dbraw/zinc/09/98/15/297099815.db2.gz FOLMPTTVICRRBJ-LLVKDONJSA-N 0 0 328.438 0.559 10 0 ECAERN C[C@H](C(=O)N(C)CC(=O)N1CCC[C@H](c2nnc[nH]2)C1)n1cccn1 ZINC000333599269 297144444 /nfs/dbraw/zinc/14/44/44/297144444.db2.gz YHBNJZVNZRCWSG-OLZOCXBDSA-N 0 0 345.407 0.427 10 0 ECAERN CC(C)[C@@H]1N(C(=O)NCCC(=O)N2CCOCC2)C[C@]12CCCO2 ZINC000333962209 297157266 /nfs/dbraw/zinc/15/72/66/297157266.db2.gz MTKCTVHKJSESIO-DOTOQJQBSA-N 0 0 339.436 0.834 10 0 ECAERN CO[C@H]1C[C@@H](C(N)=O)N(CC(=O)N(Cc2ccc(C)o2)C2CC2)C1 ZINC000344561604 298036644 /nfs/dbraw/zinc/03/66/44/298036644.db2.gz CZBJTGRVXBWTHN-GJZGRUSLSA-N 0 0 335.404 0.654 10 0 ECAERN C[C@H](NC(=O)C(=O)NCC(=O)N(C)C)C12CC3CC(CC(C3)C1)C2 ZINC000124371546 299015306 /nfs/dbraw/zinc/01/53/06/299015306.db2.gz PAGWNSRYVOLXQF-IWERZKIRSA-N 0 0 335.448 0.912 10 0 ECAERN CCCc1nnc([C@@H]2CN(C(=O)C3(O)CCSCC3)CCO2)[nH]1 ZINC000362701595 300211197 /nfs/dbraw/zinc/21/11/97/300211197.db2.gz HZPFVCDZVVRVHW-NSHDSACASA-N 0 0 340.449 0.915 10 0 ECAERN CO[C@H]1C[C@H](C(=O)N2CC[C@H](CC(C)C)C2)N(S(C)(=O)=O)C1 ZINC000366057370 300510194 /nfs/dbraw/zinc/51/01/94/300510194.db2.gz SRCADXYHIKZITP-HZSPNIEDSA-N 0 0 332.466 0.930 10 0 ECAERN COc1ccc(CNC(=O)[C@@H](Cc2ccccc2)NC(N)=O)cn1 ZINC000010991121 436042036 /nfs/dbraw/zinc/04/20/36/436042036.db2.gz XUZAVQGBUJLLJA-CQSZACIVSA-N 0 0 328.372 0.986 10 0 ECAERN CCN(CC)C(=O)[C@@H]1CCCN1C(=O)NCCC(=O)NC(C)C ZINC000073598936 436080587 /nfs/dbraw/zinc/08/05/87/436080587.db2.gz USJUDQPMWPEVIE-ZDUSSCGKSA-N 0 0 326.441 0.944 10 0 ECAERN C[C@H](NS(C)(=O)=O)C(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000075262993 436157351 /nfs/dbraw/zinc/15/73/51/436157351.db2.gz JOVFMQVRRPGZFX-RYUDHWBXSA-N 0 0 336.417 0.987 10 0 ECAERN CCCCC(=O)N1CSC[C@H]1C(=O)N1CCCNC(=O)[C@@H]1C ZINC000373695915 301077346 /nfs/dbraw/zinc/07/73/46/301077346.db2.gz KAOICMKBFUJSDO-RYUDHWBXSA-N 0 0 327.450 0.815 10 0 ECAERN CCOC(=O)CCCNC(=O)[C@@H](Cc1ccccc1)n1cnnn1 ZINC000029965485 436212477 /nfs/dbraw/zinc/21/24/77/436212477.db2.gz VMJQXSAELNEDKS-CQSZACIVSA-N 0 0 331.376 0.916 10 0 ECAERN CCCC(=O)N[C@H]1CCCN(C(=O)c2c(C)c(C)nn(C)c2=O)C1 ZINC000076737275 436214607 /nfs/dbraw/zinc/21/46/07/436214607.db2.gz WJXGBRXBSZCBDG-ZDUSSCGKSA-N 0 0 334.420 0.918 10 0 ECAERN Cn1cc(S(=O)(=O)N[C@H]2CCOc3ccccc32)cc1C(N)=O ZINC000044770083 436347480 /nfs/dbraw/zinc/34/74/80/436347480.db2.gz RSYGZTDKNGZBJH-LBPRGKRZSA-N 0 0 335.385 0.926 10 0 ECAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)Cn1nnc(-c2ccccc2)n1 ZINC000081583818 436352593 /nfs/dbraw/zinc/35/25/93/436352593.db2.gz NRQWUPHPWFXTOO-CYBMUJFWSA-N 0 0 338.375 0.891 10 0 ECAERN CCN(CC)C(=O)CCCNC(=O)N1CCC[C@H](NC(C)=O)C1 ZINC000079479413 436298384 /nfs/dbraw/zinc/29/83/84/436298384.db2.gz KVWDLRDPTGKWDD-AWEZNQCLSA-N 0 0 326.441 0.945 10 0 ECAERN C[C@H]1CN(C(=O)C(=O)Nc2cccnc2-n2cccn2)C[C@H](C)O1 ZINC000080202180 436313656 /nfs/dbraw/zinc/31/36/56/436313656.db2.gz DYVVIAUDCPGGDT-RYUDHWBXSA-N 0 0 329.360 0.842 10 0 ECAERN Cc1cc(N2CCN(c3ncnc4nc[nH]c43)CC2)n2ncnc2n1 ZINC000080971566 436334351 /nfs/dbraw/zinc/33/43/51/436334351.db2.gz XSKRUZPGMDDLJW-UHFFFAOYSA-N 0 0 336.363 0.426 10 0 ECAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)[C@@H]1CC(=O)N(CCOC)C1 ZINC000088196487 436399113 /nfs/dbraw/zinc/39/91/13/436399113.db2.gz DJIBSJUWBARSMS-NEPJUHHUSA-N 0 0 335.408 0.287 10 0 ECAERN NC(=O)[C@@H]1COCCN1C(=O)c1cnn(-c2ccc(Cl)cc2)c1 ZINC000091783986 436460273 /nfs/dbraw/zinc/46/02/73/436460273.db2.gz TVWIIJWFSYSTBL-ZDUSSCGKSA-N 0 0 334.763 0.852 10 0 ECAERN O=C(CN1CCN(c2ccccn2)CC1)NCc1csc(=O)[nH]1 ZINC000089507896 436412900 /nfs/dbraw/zinc/41/29/00/436412900.db2.gz ADMZTQLMRYXUNM-UHFFFAOYSA-N 0 0 333.417 0.270 10 0 ECAERN CC(C)c1ccc(CCNC(=O)CN2CCOC[C@@H]2C(N)=O)cc1 ZINC000092229861 436468552 /nfs/dbraw/zinc/46/85/52/436468552.db2.gz USMBVKMGBDHJMX-MRXNPFEDSA-N 0 0 333.432 0.655 10 0 ECAERN O=c1[nH]c2ccc(S(=O)(=O)N[C@H]3CCCn4ncnc43)cc2[nH]1 ZINC000097013371 436536625 /nfs/dbraw/zinc/53/66/25/436536625.db2.gz LDDQBWAAIDQCRA-JTQLQIEISA-N 0 0 334.361 0.261 10 0 ECAERN CN1CCO[C@@H](CNC(=O)N2CCN(c3cccc(O)c3)CC2)C1 ZINC000105280642 436572875 /nfs/dbraw/zinc/57/28/75/436572875.db2.gz WRIBXTQKCDEIRI-INIZCTEOSA-N 0 0 334.420 0.554 10 0 ECAERN C[C@@H](CNC(=O)C(=O)Nc1cc(F)c(F)cc1F)N1CCOCC1 ZINC000105529349 436575028 /nfs/dbraw/zinc/57/50/28/436575028.db2.gz RZBYQBVVBZDXMB-VIFPVBQESA-N 0 0 345.321 0.879 10 0 ECAERN C[NH+](C)[C@H](Cc1ccccc1)C(=O)NCCCN1C(=O)CCC1=O ZINC000109688701 436626157 /nfs/dbraw/zinc/62/61/57/436626157.db2.gz QXDRHWJSTBOYMB-OAHLLOKOSA-N 0 0 331.416 0.815 10 0 ECAERN CCCNC(=O)[C@@H](C)N1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000105894351 436584411 /nfs/dbraw/zinc/58/44/11/436584411.db2.gz SVLYPJXOKWDIAG-IAGOWNOFSA-N 0 0 349.475 0.959 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)CNC(=O)Cc2ccccc2)CC1 ZINC000106393581 436593917 /nfs/dbraw/zinc/59/39/17/436593917.db2.gz KUEZNZRKRPEEGH-INIZCTEOSA-N 0 0 333.432 0.260 10 0 ECAERN CCOc1cccc(N2CCN(C[C@H](O)CN3CCCC3=O)CC2)n1 ZINC000111691075 436631582 /nfs/dbraw/zinc/63/15/82/436631582.db2.gz SFOXZDCUWOEQDJ-HNNXBMFYSA-N 0 0 348.447 0.586 10 0 ECAERN O=C(Nc1cc[nH]n1)[C@H](NC(=O)[C@@H]1CNC(=O)C1)c1ccccc1 ZINC000112902220 436634647 /nfs/dbraw/zinc/63/46/47/436634647.db2.gz MJTBXSDACFVUTJ-SMDDNHRTSA-N 0 0 327.344 0.342 10 0 ECAERN Cc1nn(C)c(Cl)c1S(=O)(=O)N[C@@H]1CCc2ncnn2C1 ZINC000113299011 436637409 /nfs/dbraw/zinc/63/74/09/436637409.db2.gz VFFTZZWIZWGHAA-MRVPVSSYSA-N 0 0 330.801 0.267 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)CNC(=O)c1cccc(F)c1)CC2 ZINC000114890683 436644757 /nfs/dbraw/zinc/64/47/57/436644757.db2.gz FDWIQNSMYOESHG-CYBMUJFWSA-N 0 0 345.378 0.841 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)NCC(=O)N1CCCCC1)CC2 ZINC000114928387 436645443 /nfs/dbraw/zinc/64/54/43/436645443.db2.gz NMTIKBYOSDXFCJ-GFCCVEGCSA-N 0 0 334.424 0.467 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)NC[C@@H](O)COCC(C)C)CC2 ZINC000114975539 436645866 /nfs/dbraw/zinc/64/58/66/436645866.db2.gz ZAFUPADHCQRQCI-QWHCGFSZSA-N 0 0 339.440 0.488 10 0 ECAERN Cc1nn(C)c(C)c1CN1CCN(C(=O)NCc2ccnn2C)CC1 ZINC000115652405 436647919 /nfs/dbraw/zinc/64/79/19/436647919.db2.gz XBOPMIFCGYEGGL-UHFFFAOYSA-N 0 0 345.451 0.798 10 0 ECAERN CCOCCN1CCN(C(=O)CCCS(C)(=O)=O)C[C@@H]1CC ZINC000116769186 436651624 /nfs/dbraw/zinc/65/16/24/436651624.db2.gz JUPAQONGSWCDDL-AWEZNQCLSA-N 0 0 334.482 0.771 10 0 ECAERN CC(=O)N[C@H]1CCCN([C@@H]2CC(=O)N(Cc3ccccc3)C2=O)C1 ZINC000193808265 436653550 /nfs/dbraw/zinc/65/35/50/436653550.db2.gz HBVKXEWXKPGCFJ-JKSUJKDBSA-N 0 0 329.400 0.915 10 0 ECAERN Cn1cc([C@H]2CCN(C(=O)CSc3nnnn3C3CC3)C2)cn1 ZINC000116122960 436649005 /nfs/dbraw/zinc/64/90/05/436649005.db2.gz YMYCNUCLSUXRBC-JTQLQIEISA-N 0 0 333.421 0.850 10 0 ECAERN CCNC(=O)NC1(C(=O)N2CCN(CCOC)[C@H](C)C2)CCCC1 ZINC000117284342 436656575 /nfs/dbraw/zinc/65/65/75/436656575.db2.gz MFEIYIDJPHECOK-CQSZACIVSA-N 0 0 340.468 0.797 10 0 ECAERN CC(C)[N@H+]1C[C@H](NC(=O)C(=O)Nc2ccc3c(c2)CC(=O)N3)[C@@H](C)C1 ZINC000150772591 436689403 /nfs/dbraw/zinc/68/94/03/436689403.db2.gz RWVIXWNTWZQAIN-NHYWBVRUSA-N 0 0 344.415 0.965 10 0 ECAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)NCCCN1CCCC1=O ZINC000150965500 436694049 /nfs/dbraw/zinc/69/40/49/436694049.db2.gz IIFPVWROTMADKA-GFCCVEGCSA-N 0 0 334.424 0.987 10 0 ECAERN CCCN(C)S(=O)(=O)NC[C@@H]1CCCN1c1cc(NC)ncn1 ZINC000121072492 436706351 /nfs/dbraw/zinc/70/63/51/436706351.db2.gz ANDFGYZEXQCNNV-LBPRGKRZSA-N 0 0 342.469 0.663 10 0 ECAERN Cc1cnn(CCNC(=O)NCCN2C(=O)c3ccccc3C2=O)c1 ZINC000118064899 436660469 /nfs/dbraw/zinc/66/04/69/436660469.db2.gz MQDMILMEDWDZHE-UHFFFAOYSA-N 0 0 341.371 0.787 10 0 ECAERN CNC(=O)c1ccc2nc(-n3ccnc3)nc(N3CCOCC3)c2n1 ZINC000139092665 436663533 /nfs/dbraw/zinc/66/35/33/436663533.db2.gz FFRXDROVWNZUIE-UHFFFAOYSA-N 0 0 339.359 0.407 10 0 ECAERN Cc1cc(NC(=O)NC[C@@H](O)CN2CCOCC2)ccc1N(C)C ZINC000119939365 436674239 /nfs/dbraw/zinc/67/42/39/436674239.db2.gz JGDCMXGSPAJVAQ-OAHLLOKOSA-N 0 0 336.436 0.876 10 0 ECAERN CC(C)(C)OC[C@H](O)CN1CCN(C[C@H](O)COC(C)(C)C)CC1 ZINC000121609097 436721372 /nfs/dbraw/zinc/72/13/72/436721372.db2.gz JJYDYXKBLYAOCM-IYBDPMFKSA-N 0 0 346.512 0.956 10 0 ECAERN CCN(CC)S(=O)(=O)CC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000121777416 436723722 /nfs/dbraw/zinc/72/37/22/436723722.db2.gz RWBSTROAPLZWLY-ZFWWWQNUSA-N 0 0 332.466 0.812 10 0 ECAERN O=C(Nc1ccc2nc(N3CCOCC3)oc2c1)[C@H]1CNC(=O)C1 ZINC000124451911 436751216 /nfs/dbraw/zinc/75/12/16/436751216.db2.gz HZRBAZMEBXLYKU-SNVBAGLBSA-N 0 0 330.344 0.739 10 0 ECAERN CCN(CC1CC1)S(=O)(=O)N1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000248656639 436808084 /nfs/dbraw/zinc/80/80/84/436808084.db2.gz WQJPSBDNQCQQQC-HNNXBMFYSA-N 0 0 342.465 0.869 10 0 ECAERN Cc1nc(CCCC(=O)NC[C@H](O)CN2CCOCC2)cs1 ZINC000128157892 436812982 /nfs/dbraw/zinc/81/29/82/436812982.db2.gz YXVACGIUPDERED-AWEZNQCLSA-N 0 0 327.450 0.584 10 0 ECAERN O=C(COc1ccc(F)c(Cl)c1)NC[C@@H](O)CN1CCOCC1 ZINC000128992218 436822491 /nfs/dbraw/zinc/82/24/91/436822491.db2.gz ZYJVDNBMGFJGMT-LLVKDONJSA-N 0 0 346.786 0.667 10 0 ECAERN CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1cnn(-c2ccccc2)c1 ZINC000128513596 436817196 /nfs/dbraw/zinc/81/71/96/436817196.db2.gz OQUAMHILAPSXSS-CQSZACIVSA-N 0 0 341.371 0.548 10 0 ECAERN C[C@@H]1CN(C(=O)c2ccncc2Br)C[C@@H](C(N)=O)O1 ZINC000128529770 436817489 /nfs/dbraw/zinc/81/74/89/436817489.db2.gz UPIIJKDSLMRFGP-XCBNKYQSSA-N 0 0 328.166 0.559 10 0 ECAERN C[C@@H](NC(=O)C(=O)Nc1cccc(-n2ccnn2)c1)[C@@H]1CCCO1 ZINC000125499020 436770773 /nfs/dbraw/zinc/77/07/73/436770773.db2.gz NTXSPOICJKPNIF-RISCZKNCSA-N 0 0 329.360 0.890 10 0 ECAERN O=C(NC[C@@H](O)CN1CCOCC1)c1cc2ccccc2cc1O ZINC000154105287 436771248 /nfs/dbraw/zinc/77/12/48/436771248.db2.gz HEKQPUGOHCCYPI-OAHLLOKOSA-N 0 0 330.384 0.968 10 0 ECAERN CC[C@H]1CN(C(=O)C(=O)Nc2ccsc2)CCN1C[C@@H](C)O ZINC000125829681 436775881 /nfs/dbraw/zinc/77/58/81/436775881.db2.gz WFLYOTYILUPIHD-YPMHNXCESA-N 0 0 325.434 0.990 10 0 ECAERN CCCn1nccc1NC(=O)C(=O)N1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000246375176 436779634 /nfs/dbraw/zinc/77/96/34/436779634.db2.gz HVXQTMBYLFBXQW-OLZOCXBDSA-N 0 0 337.424 0.145 10 0 ECAERN Cc1ccc(N2CCCN(CC(=O)NC[C@H]3CCCO3)CC2)nn1 ZINC000247127462 436789581 /nfs/dbraw/zinc/78/95/81/436789581.db2.gz KDTPYARKXHLBIX-OAHLLOKOSA-N 0 0 333.436 0.592 10 0 ECAERN Cc1nn(C)c(C)c1CCC(=O)N1CCCOCCNC(=O)CC1 ZINC000257196961 436858954 /nfs/dbraw/zinc/85/89/54/436858954.db2.gz ZFAQORZDPRESSX-UHFFFAOYSA-N 0 0 336.436 0.725 10 0 ECAERN O=C(CNC(=O)N1CCC(c2cc[nH]n2)CC1)NCC(F)(F)F ZINC000157164648 436824962 /nfs/dbraw/zinc/82/49/62/436824962.db2.gz XQHPZDLUNJNCBR-UHFFFAOYSA-N 0 0 333.314 0.977 10 0 ECAERN O=C(NC[C@@H](O)CN1CCOCC1)c1ccn(-c2cccc(F)c2)n1 ZINC000129424514 436826148 /nfs/dbraw/zinc/82/61/48/436826148.db2.gz LEAODZBVJFPDPI-OAHLLOKOSA-N 0 0 348.378 0.434 10 0 ECAERN CC(C)c1nc2n(n1)C[C@H](NS(=O)(=O)[C@@H]1CCO[C@@H]1C)CC2 ZINC000135726605 436922847 /nfs/dbraw/zinc/92/28/47/436922847.db2.gz AKBPGOJPCAFHFB-IJLUTSLNSA-N 0 0 328.438 0.813 10 0 ECAERN C[C@H](CNC(=O)N[C@@H]1CCN(c2ccccn2)C1)N1CCOCC1 ZINC000163584477 436925243 /nfs/dbraw/zinc/92/52/43/436925243.db2.gz NVZCRWCZIJKPEQ-HUUCEWRRSA-N 0 0 333.436 0.680 10 0 ECAERN CC(C)(C)OC[C@@H](O)CN1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 ZINC000133322626 436877119 /nfs/dbraw/zinc/87/71/19/436877119.db2.gz ZVCCEBKXMCODLB-AWEZNQCLSA-N 0 0 337.420 0.309 10 0 ECAERN Cc1ccn(CC(=O)NC2CC([N@@H+](CC(=O)[O-])CC3CC3)C2)c(=O)c1 ZINC000263464151 436966592 /nfs/dbraw/zinc/96/65/92/436966592.db2.gz WGTORPZGUSJJRC-UHFFFAOYSA-N 0 0 347.415 0.601 10 0 ECAERN Cc1nc2cc(=O)[nH]n2c(C)c1CCC(=O)NC[C@H]1CN(C)CCO1 ZINC000171287117 436976845 /nfs/dbraw/zinc/97/68/45/436976845.db2.gz CENDKZCEEHGKEI-ZDUSSCGKSA-N 0 0 347.419 0.431 10 0 ECAERN CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1ccccc1N1CCCC1 ZINC000166822625 436940210 /nfs/dbraw/zinc/94/02/10/436940210.db2.gz GPSBVZCJCWUSPV-OAHLLOKOSA-N 0 0 344.415 0.962 10 0 ECAERN Cc1cccc(OCC(=O)N2CCO[C@@H](C[N@@H+](C)CC(=O)[O-])C2)c1 ZINC000262915277 436944412 /nfs/dbraw/zinc/94/44/12/436944412.db2.gz KGLIDYAWGCCJHP-HNNXBMFYSA-N 0 0 336.388 0.618 10 0 ECAERN CCOc1ccccc1C(=O)N1CCO[C@H](C[N@H+](C)CC(=O)[O-])C1 ZINC000262918877 436945273 /nfs/dbraw/zinc/94/52/73/436945273.db2.gz RNLRCBQVVMLHAP-CYBMUJFWSA-N 0 0 336.388 0.943 10 0 ECAERN COc1ccc([C@H]2OCC[C@@H]2NC(=O)Cn2ccccc2=O)cn1 ZINC000275290217 436950919 /nfs/dbraw/zinc/95/09/19/436950919.db2.gz ARNAQRRJFUUCHS-SUMWQHHRSA-N 0 0 329.356 0.898 10 0 ECAERN Cc1cc(CN2CCN(C(=O)N[C@H]3CCc4ncnn4C3)CC2)no1 ZINC000172603044 437022220 /nfs/dbraw/zinc/02/22/20/437022220.db2.gz UEKUDKNXFKLJQH-ZDUSSCGKSA-N 0 0 345.407 0.417 10 0 ECAERN CN(Cc1nc[nH]n1)C(=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1 ZINC000172645356 437024030 /nfs/dbraw/zinc/02/40/30/437024030.db2.gz YTCSYCDJCGPQKU-CYBMUJFWSA-N 0 0 349.416 0.616 10 0 ECAERN CCC(CC)N1C[C@@H](C(=O)N2CC[C@H](N3CCOCC3)C2)CC1=O ZINC000172750549 437027916 /nfs/dbraw/zinc/02/79/16/437027916.db2.gz QUDBRZOOBKRNJH-HOCLYGCPSA-N 0 0 337.464 0.957 10 0 ECAERN Cc1ccc2ncc(C(=O)N3CC[C@@H](N4CCOCC4)C3)c(=O)n2c1 ZINC000172756858 437028517 /nfs/dbraw/zinc/02/85/17/437028517.db2.gz ZSTRDAWLDOLERY-CQSZACIVSA-N 0 0 342.399 0.550 10 0 ECAERN CNS(=O)(=O)c1ccc(C)c(C(=O)N[C@@H]2CCc3ncnn3C2)c1 ZINC000172002562 436995633 /nfs/dbraw/zinc/99/56/33/436995633.db2.gz YCNDIHQMXOEEMW-LLVKDONJSA-N 0 0 349.416 0.239 10 0 ECAERN O=C(N[C@@H]1CCc2ncnn2C1)c1ccccc1N1CCOCC1 ZINC000172001932 436995691 /nfs/dbraw/zinc/99/56/91/436995691.db2.gz YMUMVWDOAVNUOQ-CYBMUJFWSA-N 0 0 327.388 0.860 10 0 ECAERN CCOCCN1CCN(C(=O)CN2CCCCCC2=O)C[C@H]1C ZINC000172221304 437004118 /nfs/dbraw/zinc/00/41/18/437004118.db2.gz OYQHAXRKJOTBCX-OAHLLOKOSA-N 0 0 325.453 0.958 10 0 ECAERN Cc1cnn(CCNC(=O)N[C@H]2CCCN(c3cnn(C)c3)C2)c1 ZINC000173200513 437041941 /nfs/dbraw/zinc/04/19/41/437041941.db2.gz VBHDBNVFLRWMSI-AWEZNQCLSA-N 0 0 331.424 0.893 10 0 ECAERN OC[C@@H]1CCCN(c2cc(N[C@H]3CCc4ncnn4C3)ncn2)C1 ZINC000264528069 437042751 /nfs/dbraw/zinc/04/27/51/437042751.db2.gz WJBVXLZQDKMVQU-OLZOCXBDSA-N 0 0 329.408 0.704 10 0 ECAERN CCCNC(=O)CCC(=O)NC[C@H]1CCCN1c1cc(NC)ncn1 ZINC000173417367 437047859 /nfs/dbraw/zinc/04/78/59/437047859.db2.gz FYYSZRSWPITTAQ-CYBMUJFWSA-N 0 0 348.451 0.910 10 0 ECAERN Cc1cc(N2CCC[C@@H](NC(=O)NCc3noc(C)n3)C2=O)n(C)n1 ZINC000173561391 437056762 /nfs/dbraw/zinc/05/67/62/437056762.db2.gz MMVLPXFUFCZWOX-LLVKDONJSA-N 0 0 347.379 0.415 10 0 ECAERN Cc1nnc([C@@H]2CN(Cc3nnnn3-c3ccccc3)CCO2)[nH]1 ZINC000173655699 437060834 /nfs/dbraw/zinc/06/08/34/437060834.db2.gz XCCBZRYQYIGKGU-ZDUSSCGKSA-N 0 0 326.364 0.662 10 0 ECAERN O=S(=O)(NCCN1CC[C@@H](N2CCOCC2)C1)c1ccccc1 ZINC000173925702 437067330 /nfs/dbraw/zinc/06/73/30/437067330.db2.gz IFRPMVFQPSFWSB-OAHLLOKOSA-N 0 0 339.461 0.371 10 0 ECAERN Cc1cc(C)cc(C(=O)NCC(=O)N2CC[C@@H](N3CCOCC3)C2)c1 ZINC000173921443 437068535 /nfs/dbraw/zinc/06/85/35/437068535.db2.gz SBTBCHIRYPBSGV-QGZVFWFLSA-N 0 0 345.443 0.966 10 0 ECAERN O=S(=O)(c1ccc2c(c1)CCCC2)N1CC[C@](O)(c2cn[nH]n2)C1 ZINC000285187552 437075532 /nfs/dbraw/zinc/07/55/32/437075532.db2.gz UXYMLHJNQVACQQ-MRXNPFEDSA-N 0 0 348.428 0.966 10 0 ECAERN CN1CCO[C@H](CNC(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)C1 ZINC000174750151 437088137 /nfs/dbraw/zinc/08/81/37/437088137.db2.gz IEGGUWIGMVHJOM-LSDHHAIUSA-N 0 0 328.457 0.069 10 0 ECAERN C[C@H]1CN(C(=O)NCC(=O)N2CCCCC2)C[C@@H]1N1CCOCC1 ZINC000175670769 437111656 /nfs/dbraw/zinc/11/16/56/437111656.db2.gz YASBDBBVTIJWMA-GJZGRUSLSA-N 0 0 338.452 0.361 10 0 ECAERN C[C@@H]1CN(C(=O)CCOC2CCOCC2)C[C@H]1N1CCOCC1 ZINC000175449094 437105645 /nfs/dbraw/zinc/10/56/45/437105645.db2.gz VIFNOYANNWLVHH-GDBMZVCRSA-N 0 0 326.437 0.751 10 0 ECAERN CCOCCN1CCN(C(=O)[C@@H](C)CS(C)(=O)=O)C[C@@H]1CC ZINC000176853318 437159339 /nfs/dbraw/zinc/15/93/39/437159339.db2.gz VUYKGXBPVFBKTR-KBPBESRZSA-N 0 0 334.482 0.626 10 0 ECAERN C[C@H]1CN(C(=O)NCC(=O)N2CCCCC2)C[C@H]1N1CCOCC1 ZINC000175670803 437112812 /nfs/dbraw/zinc/11/28/12/437112812.db2.gz YASBDBBVTIJWMA-LSDHHAIUSA-N 0 0 338.452 0.361 10 0 ECAERN C[C@@H]1CN(C(=O)NCc2cccc(C(N)=O)c2)C[C@@H]1N1CCOCC1 ZINC000175671449 437113147 /nfs/dbraw/zinc/11/31/47/437113147.db2.gz OSKNZOYYQZBIDZ-CJNGLKHVSA-N 0 0 346.431 0.648 10 0 ECAERN CC(C)(C)c1nc(CN2CCCN(C(=O)[C@@H]3CNC(=O)C3)CC2)no1 ZINC000175750484 437116151 /nfs/dbraw/zinc/11/61/51/437116151.db2.gz ZRDWEWBYSGBSHV-LBPRGKRZSA-N 0 0 349.435 0.538 10 0 ECAERN Cc1nn(C)c(C)c1CNC(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000175828453 437121462 /nfs/dbraw/zinc/12/14/62/437121462.db2.gz GGLKMVRFLAOZJV-BLLLJJGKSA-N 0 0 335.452 0.899 10 0 ECAERN COCCN1CCN(C(=O)C(=O)Nc2nc(C)cs2)C[C@@H]1C ZINC000176036957 437128084 /nfs/dbraw/zinc/12/80/84/437128084.db2.gz LROJGYPFUHZJFM-NSHDSACASA-N 0 0 326.422 0.569 10 0 ECAERN COCC[C@@H](C)NC(=O)N[C@@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000176208218 437135773 /nfs/dbraw/zinc/13/57/73/437135773.db2.gz MQNFMKJVFJMQIH-DGCLKSJQSA-N 0 0 337.424 0.948 10 0 ECAERN CO[C@@H]1C[C@H](CO)N(CC(=O)Nc2ccc(Br)cn2)C1 ZINC000312806455 437173202 /nfs/dbraw/zinc/17/32/02/437173202.db2.gz KZMHDARFLJRAKR-GHMZBOCLSA-N 0 0 344.209 0.864 10 0 ECAERN Cc1nccn1C[C@@H]1CCCN1C(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000177177887 437174067 /nfs/dbraw/zinc/17/40/67/437174067.db2.gz VXUCWAOPWQJJQV-KGLIPLIRSA-N 0 0 342.403 0.959 10 0 ECAERN CNC(=O)c1ccc(NC(=O)C(=O)N2CCN3CCCC[C@@H]3C2)cc1 ZINC000177390213 437180821 /nfs/dbraw/zinc/18/08/21/437180821.db2.gz WUECUKRQLPWUFX-OAHLLOKOSA-N 0 0 344.415 0.681 10 0 ECAERN Cc1ccc2c(c1)C(=O)N(CC(=O)N[C@H]1CCCn3ncnc31)C2=O ZINC000177586533 437190424 /nfs/dbraw/zinc/19/04/24/437190424.db2.gz RYOSGLKLFXBCQU-ZDUSSCGKSA-N 0 0 339.355 0.834 10 0 ECAERN Cc1ccc(-c2nnn(CC(=O)N[C@H]3CCCn4ncnc43)n2)cc1 ZINC000177552053 437190910 /nfs/dbraw/zinc/19/09/10/437190910.db2.gz KVGDAUGJSYBLGK-ZDUSSCGKSA-N 0 0 338.375 0.891 10 0 ECAERN Cc1ccc(F)cc1NC(=O)C(=O)N1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000177609620 437191495 /nfs/dbraw/zinc/19/14/95/437191495.db2.gz OWZQBCKQEYBHIJ-CHWSQXEVSA-N 0 0 337.395 0.986 10 0 ECAERN O=C(Nc1ccccc1F)C(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000177650819 437193843 /nfs/dbraw/zinc/19/38/43/437193843.db2.gz NFHHCXQKWDFBPM-GFCCVEGCSA-N 0 0 332.335 0.888 10 0 ECAERN CC(C)(C)OC(=O)N1CC[C@@H](C(=O)NC[C@@H]2CN3CCN2CC3)C1 ZINC000178647258 437222918 /nfs/dbraw/zinc/22/29/18/437222918.db2.gz YKRGKVXYDMSYSB-ZIAGYGMSSA-N 0 0 338.452 0.359 10 0 ECAERN CNC(=O)[C@H](NC(=O)[C@H](Cc1ccccc1)n1nnnc1C)C(C)C ZINC000178863347 437236179 /nfs/dbraw/zinc/23/61/79/437236179.db2.gz RGOMHXXBAHIGTG-LSDHHAIUSA-N 0 0 344.419 0.652 10 0 ECAERN Cn1cnnc1[C@H]1CN([C@@H]2CCN(c3ccccc3)C2=O)CCO1 ZINC000328629491 437241367 /nfs/dbraw/zinc/24/13/67/437241367.db2.gz IHLMBEBWKKHTRG-HUUCEWRRSA-N 0 0 327.388 0.994 10 0 ECAERN Cn1ccnc(N2CCC(Nc3ccnc(C4CC4)n3)CC2)c1=O ZINC000328621126 437241851 /nfs/dbraw/zinc/24/18/51/437241851.db2.gz AGOVRLHFRQKNQI-UHFFFAOYSA-N 0 0 326.404 1.529 10 0 ECAERN CN1CCN(S(=O)(=O)CC[C@H]2CCCO2)C[C@@H]1c1ncc[nH]1 ZINC000328634564 437243239 /nfs/dbraw/zinc/24/32/39/437243239.db2.gz UEVCDJMASAARSF-CHWSQXEVSA-N 0 0 328.438 0.597 10 0 ECAERN Cc1nc2c(s1)CCC[C@@H]2CN(C)C(=O)Cn1ncn(C)c1=O ZINC000328641816 437243761 /nfs/dbraw/zinc/24/37/61/437243761.db2.gz YALQQTDASGVVTL-LLVKDONJSA-N 0 0 335.433 0.925 10 0 ECAERN CCN1CCN(C(=O)CCc2cnn(C)c2)C[C@@H]1c1nccn1C ZINC000328640934 437245180 /nfs/dbraw/zinc/24/51/80/437245180.db2.gz XQHMOYXSURNUOU-OAHLLOKOSA-N 0 0 330.436 0.992 10 0 ECAERN Cc1nnc(CN(C)[C@@H]2CN(C(=O)CCCn3cccc3)C[C@H]2O)o1 ZINC000328649784 437246899 /nfs/dbraw/zinc/24/68/99/437246899.db2.gz VCSPABDLTUJRAB-HUUCEWRRSA-N 0 0 347.419 0.663 10 0 ECAERN O=C(CN1C[C@H](O)C[C@@H]1CO)NC[C@H]1CCN(c2ccccc2)C1 ZINC000179170710 437254063 /nfs/dbraw/zinc/25/40/63/437254063.db2.gz QPGHDSVXGJZMIR-DJIMGWMZSA-N 0 0 333.432 0.057 10 0 ECAERN O=C(CN1C[C@@H](O)C[C@@H]1CO)Nc1ccccc1Br ZINC000179184912 437256132 /nfs/dbraw/zinc/25/61/32/437256132.db2.gz OSYQGQQJHJSMJH-ZJUUUORDSA-N 0 0 329.194 0.815 10 0 ECAERN O=C(N[C@H]1CC[C@H](O)CC1)N1CC[C@H](Nc2ccc3nccn3n2)C1 ZINC000333168482 437262314 /nfs/dbraw/zinc/26/23/14/437262314.db2.gz PFLQTIUKBHJGGF-MELADBBJSA-N 0 0 344.419 1.229 10 0 ECAERN CO[C@@]1(C(=O)NCCCn2cc(Br)cn2)CCOC1 ZINC000288356236 437313244 /nfs/dbraw/zinc/31/32/44/437313244.db2.gz MEMGVEWCKULUIN-LBPRGKRZSA-N 0 0 332.198 0.957 10 0 ECAERN CN1C(=O)C[C@H](C(=O)NCCCOCCO)[C@@H]1c1ccc(F)cc1 ZINC000180373435 437286520 /nfs/dbraw/zinc/28/65/20/437286520.db2.gz XUTIXCQTXFMWJL-HOCLYGCPSA-N 0 0 338.379 0.860 10 0 ECAERN C[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)N(C)CC2)N1CCOCC1 ZINC000180406525 437289262 /nfs/dbraw/zinc/28/92/62/437289262.db2.gz VJGJGGMZPGJYAO-ZDUSSCGKSA-N 0 0 346.431 0.454 10 0 ECAERN CC(Cl)(Cl)C(=O)N1CCN(c2ccc3nncn3n2)CC1 ZINC000180435351 437289757 /nfs/dbraw/zinc/28/97/57/437289757.db2.gz NLLPHUKOVZLSLH-UHFFFAOYSA-N 0 0 329.191 0.967 10 0 ECAERN CC(C)c1nnc2n1C[C@@H](NC(=O)NCCCOCCO)CC2 ZINC000181753618 437331135 /nfs/dbraw/zinc/33/11/35/437331135.db2.gz GTFLVJXKEGMMRW-LBPRGKRZSA-N 0 0 325.413 0.415 10 0 ECAERN COCCN1CCN(C(=O)NC[C@@H]2CC(=O)N(C3CC3)C2)C[C@H]1C ZINC000181987166 437333121 /nfs/dbraw/zinc/33/31/21/437333121.db2.gz YAEWNWAEVIWFFG-KGLIPLIRSA-N 0 0 338.452 0.359 10 0 ECAERN COCc1nnc(-c2cccc(C(=O)NC[C@H]3CN(C)CCO3)c2)o1 ZINC000182025565 437335676 /nfs/dbraw/zinc/33/56/76/437335676.db2.gz ILTISNVOMNCQEK-AWEZNQCLSA-N 0 0 346.387 0.943 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)N[C@@H]2CCN(c3ccccn3)C2)CC1 ZINC000182043760 437336810 /nfs/dbraw/zinc/33/68/10/437336810.db2.gz OJWMGSUASPMJQO-CVEARBPZSA-N 0 0 347.463 0.758 10 0 ECAERN COCC(=O)NC1CN(C[C@@H](O)COc2cccc3[nH]ccc32)C1 ZINC000185088177 437424533 /nfs/dbraw/zinc/42/45/33/437424533.db2.gz CPVUTIPDRVWBIR-CYBMUJFWSA-N 0 0 333.388 0.354 10 0 ECAERN COc1c(CN2CCN(c3cc(OC)ncn3)CC2)c(C)nn1C ZINC000184441972 437400403 /nfs/dbraw/zinc/40/04/03/437400403.db2.gz HGMIEWIHRXDTCC-UHFFFAOYSA-N 0 0 332.408 0.858 10 0 ECAERN COCC(=O)NC1CN(C(=O)c2cn(-c3cccc(C)c3)nn2)C1 ZINC000186312449 437469009 /nfs/dbraw/zinc/46/90/09/437469009.db2.gz TYTNKCXGVCNVLO-UHFFFAOYSA-N 0 0 329.360 0.163 10 0 ECAERN Cn1cc(N2CCC[C@@H](NC(=O)N3CC(NC(=O)C4CC4)C3)C2)cn1 ZINC000187284773 437498480 /nfs/dbraw/zinc/49/84/80/437498480.db2.gz LPCIKZFDCYWVPG-CYBMUJFWSA-N 0 0 346.435 0.309 10 0 ECAERN CCO[C@@H]1C[C@@H](NC(=O)c2cc(C(N)=O)cn2C)C12CCOCC2 ZINC000187075524 437491025 /nfs/dbraw/zinc/49/10/25/437491025.db2.gz FWAJEZPNGARQFT-ZIAGYGMSSA-N 0 0 335.404 0.828 10 0 ECAERN C[C@H](C1CC1)n1cc(NC(=O)C(=O)NC[C@H](C)N2CCOCC2)cn1 ZINC000188414488 437546381 /nfs/dbraw/zinc/54/63/81/437546381.db2.gz YNNWJEQRWWMDBT-QWHCGFSZSA-N 0 0 349.435 0.630 10 0 ECAERN CC(=O)NC1CN(C(=O)[C@H]2CCCN(C(=O)c3ccncc3)C2)C1 ZINC000190446497 437625915 /nfs/dbraw/zinc/62/59/15/437625915.db2.gz LHSXETKYMMTPQG-AWEZNQCLSA-N 0 0 330.388 0.281 10 0 ECAERN Cc1nc(Cl)ccc1NC(=O)C(=O)NC[C@H](C)N1CCOCC1 ZINC000192561805 437682234 /nfs/dbraw/zinc/68/22/34/437682234.db2.gz YMYKDSGAXCASNV-JTQLQIEISA-N 0 0 340.811 0.819 10 0 ECAERN CCc1nc(NC(=O)C(=O)NC[C@H](C)N2CCOCC2)sc1C ZINC000192561749 437683606 /nfs/dbraw/zinc/68/36/06/437683606.db2.gz FSNMNOTVFUIZQI-JTQLQIEISA-N 0 0 340.449 0.789 10 0 ECAERN CN(CC(=O)OC(C)(C)C)[C@H]1CCCN(Cc2nnn(C)n2)CC1 ZINC000193493806 437712131 /nfs/dbraw/zinc/71/21/31/437712131.db2.gz LRPZXTPNNOSUGQ-ZDUSSCGKSA-N 0 0 338.456 0.838 10 0 ECAERN CO[C@H]1C[C@H](C(=O)N[C@H]2CCO[C@@H](C(C)C)C2)N(S(C)(=O)=O)C1 ZINC000370497346 437794840 /nfs/dbraw/zinc/79/48/40/437794840.db2.gz BAJQKOGNTOFXGH-IGQOVBAYSA-N 0 0 348.465 0.355 10 0 ECAERN CO[C@H]1C[C@H](C(=O)N2C[C@@H](C)OC(C)(C)C2)N(S(C)(=O)=O)C1 ZINC000365537285 437930251 /nfs/dbraw/zinc/93/02/51/437930251.db2.gz PHXASTLLPCXAIL-GRYCIOLGSA-N 0 0 334.438 0.061 10 0 ECAERN CO[C@H]1C[C@H](C(=O)N2CC[C@@H](C)C(C)(C)C2)N(S(C)(=O)=O)C1 ZINC000365542411 437930577 /nfs/dbraw/zinc/93/05/77/437930577.db2.gz XGSXMFQFMXDDQO-FRRDWIJNSA-N 0 0 332.466 0.930 10 0 ECAERN CCOc1ncnc2c1CN(C(=O)[C@@H]1CSCN1C(C)=O)CC2 ZINC000371180326 437895906 /nfs/dbraw/zinc/89/59/06/437895906.db2.gz IZJBZKXMLMAIPJ-ZDUSSCGKSA-N 0 0 336.417 0.681 10 0 ECAERN C[C@@H]1CN(C(=O)[C@@H](NC(N)=O)C(C)(C)C)C[C@H]1N1CCOCC1 ZINC000367398532 438206228 /nfs/dbraw/zinc/20/62/28/438206228.db2.gz IJTBEYMGDSXELS-JHJVBQTASA-N 0 0 326.441 0.249 10 0 ECAERN CNC(=O)[C@@H]1CCCN(S(=O)(=O)[C@@H]2CCC[C@H]2C(=O)OC)C1 ZINC000389627119 438428130 /nfs/dbraw/zinc/42/81/30/438428130.db2.gz STNFXLJMYGHGDM-IJLUTSLNSA-N 0 0 332.422 0.116 10 0 ECAERN C[C@@H]1C[C@H](CO)C[N@H+](C[C@H](O)CN2C(=O)c3ccccc3C2=O)C1 ZINC000398623952 438452039 /nfs/dbraw/zinc/45/20/39/438452039.db2.gz LIGZYUHIIICTDY-RDBSUJKOSA-N 0 0 332.400 0.594 10 0 ECAERN CCn1ccnc1Cn1cc(I)c(=O)[nH]c1=O ZINC000582013931 439278025 /nfs/dbraw/zinc/27/80/25/439278025.db2.gz BGXLKYIDBUPBJX-UHFFFAOYSA-N 0 0 346.128 0.818 10 0 ECAERN O[C@]1(c2cn[nH]n2)CCCN(c2ncncc2Br)C1 ZINC000583616693 439485950 /nfs/dbraw/zinc/48/59/50/439485950.db2.gz CRVXMJNDGFJIHD-LLVKDONJSA-N 0 0 325.170 0.845 10 0 ECAERN Nc1nccnc1C(=O)NC[C@@H]1C[C@H](F)CN1Cc1ncccn1 ZINC000583624087 439489174 /nfs/dbraw/zinc/48/91/74/439489174.db2.gz POGVZMJPFJCVMG-QWRGUYRKSA-N 0 0 331.355 0.191 10 0 ECAERN CCOC(=O)c1ccc([C@H]2CCOCCN2S(N)(=O)=O)cc1 ZINC000616660669 439820608 /nfs/dbraw/zinc/82/06/08/439820608.db2.gz NQBWOTDPBAKLSK-CYBMUJFWSA-N 0 0 328.390 0.830 10 0 ECAERN CCOC(=O)c1ccccc1[C@H]1CCN(S(N)(=O)=O)CCO1 ZINC000616595912 439820758 /nfs/dbraw/zinc/82/07/58/439820758.db2.gz ZRXQTAXIFMVGCD-CYBMUJFWSA-N 0 0 328.390 0.830 10 0 ECAERN CNC(=O)C[C@H]1CS(=O)(=O)CCN1C(=O)c1cc(Cl)cn1C ZINC000644174545 440462664 /nfs/dbraw/zinc/46/26/64/440462664.db2.gz JSKZQDGNQNUJEL-JTQLQIEISA-N 0 0 347.824 0.054 10 0 ECAERN CO[C@@H]1C[C@@H](CO)N(C(=O)N[C@H]2Cc3ccccc3N(C)C2=O)C1 ZINC000665624815 440505659 /nfs/dbraw/zinc/50/56/59/440505659.db2.gz ROOWRYQFVMENAT-MJBXVCDLSA-N 0 0 333.388 0.365 10 0 ECAERN O=C(CN1CCCC[C@H](O)C1=O)NCCOc1ncccc1Cl ZINC000644393130 440564827 /nfs/dbraw/zinc/56/48/27/440564827.db2.gz BUGCWGGWECZNAA-LBPRGKRZSA-N 0 0 341.795 0.603 10 0 ECAERN O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCN(c3ccc(F)cn3)CC2)C[NH2+]1 ZINC000657213399 440989318 /nfs/dbraw/zinc/98/93/18/440989318.db2.gz NFXUXYVOEWUWJE-AAEUAGOBSA-N 0 0 336.367 0.322 10 0 ECAERN CC(C)CN(C(=O)CN1CCOC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000328699389 320728079 /nfs/dbraw/zinc/72/80/79/320728079.db2.gz VOOPTDZXMIZACD-GJZGRUSLSA-N 0 0 346.493 0.626 10 0 ECAERN Cc1cc(C)n2nc(CC(=O)N3CCO[C@@H](C(=O)C4CC4)C3)nc2n1 ZINC000328701902 320728207 /nfs/dbraw/zinc/72/82/07/320728207.db2.gz WYDBKYSWALUCET-CYBMUJFWSA-N 0 0 343.387 0.490 10 0 ECAERN CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C[C@H]1CCCCNC1=O ZINC000329286460 320764301 /nfs/dbraw/zinc/76/43/01/320764301.db2.gz ORSOLCVBJRRIRH-NEPJUHHUSA-N 0 0 331.438 0.673 10 0 ECAERN C[C@@H]1[C@H](N2CCOCC2)CCN1S(=O)(=O)c1cncc(F)c1 ZINC000329408277 320770558 /nfs/dbraw/zinc/77/05/58/320770558.db2.gz DDOSEFJJNUOIRS-BXUZGUMPSA-N 0 0 329.397 0.704 10 0 ECAERN CN(C[C@@H]1C[C@H](F)CN1CC(N)=O)S(=O)(=O)NC1CCCC1 ZINC000329853110 320791794 /nfs/dbraw/zinc/79/17/94/320791794.db2.gz RWDWLHCHILXGBI-JQWIXIFHSA-N 0 0 336.433 0.643 10 0 ECAERN CCn1cc([C@H]2OCC[C@@H]2N2C(=O)[C@@H]3[C@@H](O)CCCN3C2=O)cn1 ZINC000330064900 320802742 /nfs/dbraw/zinc/80/27/42/320802742.db2.gz RONATTQKROVXEB-XDQVBPFNSA-N 0 0 334.376 0.521 10 0 ECAERN O=C(c1ccccc1)N1CC(S(=O)(=O)N2CC(O)(C3CC3)C2)C1 ZINC000330074842 320803168 /nfs/dbraw/zinc/80/31/68/320803168.db2.gz LJIMVOIAVYMDIF-UHFFFAOYSA-N 0 0 336.413 0.298 10 0 ECAERN COc1cc(C(=O)N[C@@H]2CCC(=O)N[C@H]2c2cncn2C)cc(C)n1 ZINC000345048922 321172717 /nfs/dbraw/zinc/17/27/17/321172717.db2.gz FOSXAFZCWYUDOE-MLGOLLRUSA-N 0 0 343.387 0.882 10 0 ECAERN O=C(N[C@H]1CCC(=O)N[C@@H]1[C@H]1CCCO1)c1cnc2ccccn21 ZINC000562218615 322267416 /nfs/dbraw/zinc/26/74/16/322267416.db2.gz PIYKBUOFRKRVIX-GHJWDPDVSA-N 0 0 328.372 0.890 10 0 ECAERN C[C@@H](CN1CCOCC1)NC(=O)N1CCC(Nc2cccnn2)CC1 ZINC000153517889 533858519 /nfs/dbraw/zinc/85/85/19/533858519.db2.gz DBLURDZWCHHSTG-AWEZNQCLSA-N 0 0 348.451 0.783 10 0 ECAERN C[C@@H]1CN(C(=O)CCNC(=O)c2ccco2)C[C@@H]1N1CCOCC1 ZINC000173826033 534302795 /nfs/dbraw/zinc/30/27/95/534302795.db2.gz KPXUZHOUJNPIQD-KGLIPLIRSA-N 0 0 335.404 0.579 10 0 ECAERN C[C@@H]1CN(C(=O)CNC(=O)c2cccc(F)c2)C[C@H]1N1CCOCC1 ZINC000173979350 534305074 /nfs/dbraw/zinc/30/50/74/534305074.db2.gz VTQVZNXIIBHRSH-CZUORRHYSA-N 0 0 349.406 0.735 10 0 ECAERN C[C@@H]1CN(C(=O)CNC(=O)c2ccccc2)C[C@H]1N1CCOCC1 ZINC000173970922 534305109 /nfs/dbraw/zinc/30/51/09/534305109.db2.gz OBOAEYQUEYAJNC-GDBMZVCRSA-N 0 0 331.416 0.596 10 0 ECAERN COC(=O)[C@@]1(C)CCCN1CCNS(=O)(=O)c1ccccc1 ZINC000186332908 518008380 /nfs/dbraw/zinc/00/83/80/518008380.db2.gz UZBUBLGAAMTOTQ-OAHLLOKOSA-N 0 0 326.418 0.992 10 0 ECAERN NC(=O)[C@H]1COCCN1S(=O)(=O)c1ccc(-n2cccc2)cc1 ZINC000184009439 534464975 /nfs/dbraw/zinc/46/49/75/534464975.db2.gz WXOSAYFCLVNLFT-CQSZACIVSA-N 0 0 335.385 0.352 10 0 ECAERN O=C(CN1CCC[C@H](n2cncn2)C1)NC(=O)NCc1ccccc1 ZINC000171705014 534533774 /nfs/dbraw/zinc/53/37/74/534533774.db2.gz PBPNYGSFBVTSGV-HNNXBMFYSA-N 0 0 342.403 0.941 10 0 ECAERN O=C([C@H]1CNC(=O)C1)N(CCO)Cc1cnn(Cc2ccccc2)c1 ZINC000154074022 534635507 /nfs/dbraw/zinc/63/55/07/534635507.db2.gz SYCGZCMKVQGZGA-MRXNPFEDSA-N 0 0 342.399 0.388 10 0 ECAERN O=C(Cc1cccc(F)c1)NCC(=O)N1CCC[C@H](n2cncn2)C1 ZINC000171661739 534728946 /nfs/dbraw/zinc/72/89/46/534728946.db2.gz AEJMUEVXLCDUIR-HNNXBMFYSA-N 0 0 345.378 0.940 10 0 ECAERN Cc1ccccc1Nc1nc(N)nc(CN2C[C@H](O)C[C@@H]2CO)n1 ZINC000184728243 534826088 /nfs/dbraw/zinc/82/60/88/534826088.db2.gz HHDVIIVVPAPVML-VXGBXAGGSA-N 0 0 330.392 0.433 10 0 ECAERN CCN(C)S(=O)(=O)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000178697255 527851335 /nfs/dbraw/zinc/85/13/35/527851335.db2.gz NRQCBGXDRPSCEX-HNNXBMFYSA-N 0 0 327.450 0.534 10 0 ECAERN CC(C)c1nnc2n1C[C@@H](NC(=O)NCCCC(=O)N(C)C)CC2 ZINC000181517331 528474954 /nfs/dbraw/zinc/47/49/54/528474954.db2.gz DTRBZTCTLZRJQP-LBPRGKRZSA-N 0 0 336.440 0.884 10 0 ECAERN CCCCN1CCOC[C@H]1C(=O)NCCC(=O)NCc1cccnc1 ZINC000184363906 528482655 /nfs/dbraw/zinc/48/26/55/528482655.db2.gz BXXGCLZGKGGLKO-INIZCTEOSA-N 0 0 348.447 0.705 10 0 ECAERN CCn1cc(CN2CCCN(C(=O)[C@H]3CC(=O)N(C)C3)CC2)cn1 ZINC000105830218 545736691 /nfs/dbraw/zinc/73/66/91/545736691.db2.gz LZXNMTNHINFZSJ-HNNXBMFYSA-N 0 0 333.436 0.416 10 0 ECAERN COCCN1CCN(CC(=O)NCc2ccc(OC)cc2)C[C@@H]1C ZINC000105832278 545740473 /nfs/dbraw/zinc/74/04/73/545740473.db2.gz PYIDZFLEZDBGEK-HNNXBMFYSA-N 0 0 335.448 0.964 10 0 ECAERN C[C@H](OC1CCCCCC1)C(=O)NC[C@H](O)CN1CCOCC1 ZINC000132361068 545790675 /nfs/dbraw/zinc/79/06/75/545790675.db2.gz LWIOXGVPLIDYMZ-GJZGRUSLSA-N 0 0 328.453 0.924 10 0 ECAERN O=C(NC[C@@H](O)CN1CCOCC1)c1cc(-c2ccc(F)cc2)on1 ZINC000132975760 545795655 /nfs/dbraw/zinc/79/56/55/545795655.db2.gz NVGUKCJYCQQBDI-CQSZACIVSA-N 0 0 349.362 0.904 10 0 ECAERN Cc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2CO)cc1S(N)(=O)=O ZINC000179236552 545881792 /nfs/dbraw/zinc/88/17/92/545881792.db2.gz OOSHNZBKCSYFSV-CHWSQXEVSA-N 0 0 326.418 0.923 10 0 ECAERN CCC(CC)n1nc(C)cc1C(=O)NC[C@H](O)CN1CCOCC1 ZINC000179757874 545883591 /nfs/dbraw/zinc/88/35/91/545883591.db2.gz WGQJFBUBHGVQRQ-HNNXBMFYSA-N 0 0 338.452 0.976 10 0 ECAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000188760611 545903033 /nfs/dbraw/zinc/90/30/33/545903033.db2.gz XIDLPQJIPQGIAS-BASLNEPJSA-N 0 0 332.400 0.957 10 0 ECAERN NC(=O)[C@]1(O)CCCN(C(=O)c2cccn2Cc2ccccc2)C1 ZINC000310073707 545988889 /nfs/dbraw/zinc/98/88/89/545988889.db2.gz FKTUNSRUXDWOMZ-SFHVURJKSA-N 0 0 327.384 0.989 10 0 ECAERN CCn1cc(O[C@@H]2CN(c3ncnc4c3ncn4CC)C[C@H]2O)cn1 ZINC000624420685 546922066 /nfs/dbraw/zinc/92/20/66/546922066.db2.gz SHSWTPZVXBDNDY-CHWSQXEVSA-N 0 0 343.391 0.691 10 0 ECAERN O=S(=O)(N[C@@H]1CCOC[C@@H]1O)c1sccc1Br ZINC000625599019 547164805 /nfs/dbraw/zinc/16/48/05/547164805.db2.gz VUGRGSBBOUSWSS-SFYZADRCSA-N 0 0 342.236 0.939 10 0 ECAERN Cc1cc(NC(=O)CN2C[C@@H](C)O[C@@H](c3nc(C)no3)C2)n(C)n1 ZINC000625907310 547253206 /nfs/dbraw/zinc/25/32/06/547253206.db2.gz RBMLKNCRWYABCB-ZYHUDNBSSA-N 0 0 334.380 0.820 10 0 ECAERN CCn1cc(O[C@@H]2COC[C@@H]2NC(=O)CCc2ccnn2C)cn1 ZINC000685940139 549727024 /nfs/dbraw/zinc/72/70/24/549727024.db2.gz WYXVNYUUWFSPMV-LSDHHAIUSA-N 0 0 333.392 0.532 10 0 ECAERN C[C@H]1CN(C)C[C@H](C(=O)Nc2cccnc2N2CCC(O)CC2)O1 ZINC000896145120 586223245 /nfs/dbraw/zinc/22/32/45/586223245.db2.gz YFYROJNSQKYNHF-SWLSCSKDSA-N 0 0 334.420 0.700 10 0 ECAERN CCCn1[nH]ccc1=NC(=O)CN1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000888078870 586246355 /nfs/dbraw/zinc/24/63/55/586246355.db2.gz DSNFEGOMMQCGLC-KRWDZBQOSA-N 0 0 336.436 0.923 10 0 ECAERN Cc1cn2ccnc(C(=O)N[C@H]3COC[C@H]3Oc3cnn(C)c3)c2n1 ZINC000888093844 586348500 /nfs/dbraw/zinc/34/85/00/586348500.db2.gz YPCHNAPJRSORHG-QWHCGFSZSA-N 0 0 342.359 0.347 10 0 ECAERN Cn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2cc3c(cn2)OCCC3)cn1 ZINC000888093650 586348788 /nfs/dbraw/zinc/34/87/88/586348788.db2.gz MPCKNLKNWBMKGB-GOEBONIOSA-N 0 0 344.371 0.716 10 0 ECAERN CNC(=O)[C@H]1CC(=O)N(C2CN(C(=O)c3cncc(Cl)c3)C2)C1 ZINC000888098696 586349742 /nfs/dbraw/zinc/34/97/42/586349742.db2.gz SROXCLSYELAAGX-JTQLQIEISA-N 0 0 336.779 0.154 10 0 ECAERN COc1ccc(S(=O)(=O)N[C@@H]2C[C@@H](O)C23CCOCC3)cn1 ZINC000888098723 586349908 /nfs/dbraw/zinc/34/99/08/586349908.db2.gz KRRGTMDXDHIMHH-VXGBXAGGSA-N 0 0 328.390 0.299 10 0 ECAERN CN1CCO[C@@H](C(=O)N[C@@H]2CCCc3c2cnn3C(C)(C)C)C1=O ZINC000900316540 586536508 /nfs/dbraw/zinc/53/65/08/586536508.db2.gz QCSZIASOUUNSMQ-OCCSQVGLSA-N 0 0 334.420 0.989 10 0 ECAERN C[C@H]1OCC[C@@H]1NC(=O)CSc1ccc(S(N)(=O)=O)cc1 ZINC000901264253 586705537 /nfs/dbraw/zinc/70/55/37/586705537.db2.gz YXBTUJHIOOLQAP-SKDRFNHKSA-N 0 0 330.431 0.720 10 0 ECAERN Cn1cc([C@H]2[C@H](C(=O)OCCn3cccn3)CCC(=O)N2C)cn1 ZINC000115737781 589718922 /nfs/dbraw/zinc/71/89/22/589718922.db2.gz HZHOYJBTYSBMAY-HIFRSBDPSA-N 0 0 331.376 0.770 10 0 ECAERN C[C@H]1CC[C@H](C(=O)NC2CCN(S(=O)(=O)C(F)(F)F)CC2)O1 ZINC000121760498 589823284 /nfs/dbraw/zinc/82/32/84/589823284.db2.gz NGGPDNNPZLLKLN-WCBMZHEXSA-N 0 0 344.355 0.984 10 0 ECAERN Cc1noc([C@H]2CC(=O)N(C3CN(C(=O)c4ccc(C)n4C)C3)C2)n1 ZINC000864676881 590092905 /nfs/dbraw/zinc/09/29/05/590092905.db2.gz GNGQRKNTSSALMP-LBPRGKRZSA-N 0 0 343.387 0.865 10 0 ECAERN Cc1cc(NC(=O)[C@@H](C)NC2=NS(=O)(=O)c3ccccc32)n[nH]1 ZINC000126858870 590493392 /nfs/dbraw/zinc/49/33/92/590493392.db2.gz MCAHHPNLDNININ-SECBINFHSA-N 0 0 333.373 0.784 10 0 ECAERN O=C(Nc1cnc2ccnn2c1)N1CCO[C@H](Cn2cccn2)C1 ZINC000888914496 590565584 /nfs/dbraw/zinc/56/55/84/590565584.db2.gz BKMUGWACTFGMIQ-ZDUSSCGKSA-N 0 0 327.348 0.859 10 0 ECAERN CC(C)n1nnnc1CS(=O)(=O)CCNC(=O)C1CCCC1 ZINC000131168662 590608697 /nfs/dbraw/zinc/60/86/97/590608697.db2.gz WELVQPLENPXIFT-UHFFFAOYSA-N 0 0 329.426 0.475 10 0 ECAERN Cc1nc(C[C@H]2CCCN(Cn3nnc4c(cnn4C)c3=O)C2)no1 ZINC000132569121 590652557 /nfs/dbraw/zinc/65/25/57/590652557.db2.gz FNPBUXLYJBNDEE-LLVKDONJSA-N 0 0 344.379 0.129 10 0 ECAERN CC(C)n1nnnc1C[S@@](=O)CCn1cnc2ccccc2c1=O ZINC000133772419 590746891 /nfs/dbraw/zinc/74/68/91/590746891.db2.gz WFQVGMNNNLGFKF-XMMPIXPASA-N 0 0 346.416 0.913 10 0 ECAERN CCN1C(=O)C[C@@H](CNC(=O)c2cc(C)n[nH]2)[C@@H]1c1nccn1C ZINC000886041125 590787664 /nfs/dbraw/zinc/78/76/64/590787664.db2.gz ZEAHYCNKJRLJIR-SMDDNHRTSA-N 0 0 330.392 0.791 10 0 ECAERN Cc1cc(O)cc(=O)n1CCC(=O)N[C@H]1CCO[C@@H]1c1cnn(C)c1 ZINC000886062834 590788740 /nfs/dbraw/zinc/78/87/40/590788740.db2.gz PVLPEQITXNPBFD-WMLDXEAASA-N 0 0 346.387 0.632 10 0 ECAERN Cn1cnnc1C[C@]1(O)CCCN(c2cc(NC3CC3)ncn2)C1 ZINC000886065732 590789793 /nfs/dbraw/zinc/78/97/93/590789793.db2.gz SBGKRIRBSSQVRM-MRXNPFEDSA-N 0 0 329.408 0.753 10 0 ECAERN CCCn1[nH]ccc1=NC(=O)CN[C@H]1CCO[C@@H]1c1cn(C)nc1C ZINC000886071828 590790180 /nfs/dbraw/zinc/79/01/80/590790180.db2.gz ARZHCIFPHGEVRY-WMLDXEAASA-N 0 0 346.435 0.815 10 0 ECAERN CN(CCn1cccn1)C(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1nccn1C ZINC000886075663 590790612 /nfs/dbraw/zinc/79/06/12/590790612.db2.gz SREWHNPNSIRLCM-ZFWWWQNUSA-N 0 0 344.419 0.685 10 0 ECAERN Cn1nccc1[C@H]1[C@H](CNc2nccn3cnnc23)OCCN1C ZINC000886080250 590792575 /nfs/dbraw/zinc/79/25/75/590792575.db2.gz RGAKEOLBSDUYAS-STQMWFEESA-N 0 0 328.380 0.342 10 0 ECAERN Cc1cc(C(=O)NC[C@H]2CCC(=O)N(C)[C@@H]2c2cnn(C)c2)nn1C ZINC000886081961 590792639 /nfs/dbraw/zinc/79/26/39/590792639.db2.gz LYKUZSQRGUEAIU-WBMJQRKESA-N 0 0 344.419 0.802 10 0 ECAERN COc1nc(C)ccc1C(=O)N1CCC[C@](O)(Cc2nncn2C)C1 ZINC000886084855 590792924 /nfs/dbraw/zinc/79/29/24/590792924.db2.gz LPTZOQDCIDESOE-KRWDZBQOSA-N 0 0 345.403 0.737 10 0 ECAERN Cn1cc(Br)c(C(=O)N[C@]2(c3ncc[nH]3)CCOC2)n1 ZINC000886096383 590795856 /nfs/dbraw/zinc/79/58/56/590795856.db2.gz DFMDRBIQPQCQNY-GFCCVEGCSA-N 0 0 340.181 0.951 10 0 ECAERN O=S(=O)(N[C@@H]1CCc2ncnn2C1)C1=Cc2ccccc2OC1 ZINC000187932756 611533863 /nfs/dbraw/zinc/53/38/63/611533863.db2.gz QDCMISJPYLLULX-GFCCVEGCSA-N 0 0 332.385 0.946 10 0 ECAERN Cc1nn(C)cc1NC(=O)[C@H](C)NC1=NS(=O)(=O)c2ccccc21 ZINC000187655361 608605985 /nfs/dbraw/zinc/60/59/85/608605985.db2.gz OKKXQQIWQQHKCR-JTQLQIEISA-N 0 0 347.400 0.794 10 0 ECAERN O=C(OC[C@H]1CC(=O)N(CCc2ccccc2)C1)[C@@H]1CNC(=O)C1 ZINC000176173440 608784387 /nfs/dbraw/zinc/78/43/87/608784387.db2.gz CQMJVOUNMYXQJM-GJZGRUSLSA-N 0 0 330.384 0.757 10 0 ECAERN Cc1nnc(CN(C)C(=O)Cn2cnc3c(C)cccc3c2=O)[nH]1 ZINC000072292939 608791002 /nfs/dbraw/zinc/79/10/02/608791002.db2.gz FZALIBFRQSLRKJ-UHFFFAOYSA-N 0 0 326.360 0.790 10 0 ECAERN COc1ccc(N2C[C@H](C(=O)N[C@H]3C[C@H](CO)[C@@H](O)C3)CC2=O)cc1 ZINC000248115498 608796977 /nfs/dbraw/zinc/79/69/77/608796977.db2.gz AZFMDCLYRGULIM-FOCJUVANSA-N 0 0 348.399 0.296 10 0 ECAERN O=C([C@@H]1CC(=O)N(c2cn[nH]c2)C1)N1CCC[C@@H]1Cn1ccnc1 ZINC000177776137 608941302 /nfs/dbraw/zinc/94/13/02/608941302.db2.gz DHQXAAJBZCIHJJ-CHWSQXEVSA-N 0 0 328.376 0.650 10 0 ECAERN O=C([C@H]1CC(=O)N(c2cn[nH]c2)C1)N1CCC[C@@H]1Cn1ccnc1 ZINC000177776165 608941435 /nfs/dbraw/zinc/94/14/35/608941435.db2.gz DHQXAAJBZCIHJJ-QWHCGFSZSA-N 0 0 328.376 0.650 10 0 ECAERN NC(=O)[C@H]1COCCN1C(=O)c1ccn(-c2ccccc2Cl)n1 ZINC000180276436 608976888 /nfs/dbraw/zinc/97/68/88/608976888.db2.gz BEPPSPGFMCULGQ-CYBMUJFWSA-N 0 0 334.763 0.852 10 0 ECAERN Cc1csc(NC(=O)CCc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)n1 ZINC000222724519 609106341 /nfs/dbraw/zinc/10/63/41/609106341.db2.gz AKDACRHYLGSSRF-UHFFFAOYSA-N 0 0 348.388 0.297 10 0 ECAERN C[C@H]1OCCN(C(=O)c2csc(N3CCCCC3)n2)[C@@H]1C(N)=O ZINC000908101721 609644078 /nfs/dbraw/zinc/64/40/78/609644078.db2.gz BVGGNTXPVAMORA-PWSUYJOCSA-N 0 0 338.433 0.848 10 0 ECAERN CC(=O)NCc1ccc(C(=O)N[C@@H]2C[C@@H](O)[C@@H]2n2cccn2)cc1 ZINC000909157333 609678881 /nfs/dbraw/zinc/67/88/81/609678881.db2.gz MVJSRWVYRFPJCA-BZUAXINKSA-N 0 0 328.372 0.624 10 0 ECAERN CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@@H](O)[C@H]1n1cccn1 ZINC000909179745 609680820 /nfs/dbraw/zinc/68/08/20/609680820.db2.gz ATSXLEJRHHUNSO-ARILJUKYSA-N 0 0 345.403 0.668 10 0 ECAERN COc1cccc([C@H](O)C(=O)N2CCO[C@H](Cn3cccn3)C2)c1 ZINC000163986590 609696269 /nfs/dbraw/zinc/69/62/69/609696269.db2.gz VHGPMUGBXMSQKM-HOTGVXAUSA-N 0 0 331.372 0.853 10 0 ECAERN CCn1cc([C@@H]2CN(CN3CC(=O)N(C(C)C)C3=O)CCO2)cn1 ZINC000189855430 611706981 /nfs/dbraw/zinc/70/69/81/611706981.db2.gz FCYBQIZXTQHRHN-AWEZNQCLSA-N 0 0 335.408 0.906 10 0 ECAERN O=C(NCC1(CO)CC1)[C@@H]1CCC(=O)N1Cc1ccc2c(c1)OCO2 ZINC000223229304 609708813 /nfs/dbraw/zinc/70/88/13/609708813.db2.gz OQSBPCKDJQFLDM-ZDUSSCGKSA-N 0 0 346.383 0.795 10 0 ECAERN Cc1ccc([C@@H]2[C@@H](C(=O)NCC3(CO)CC3)OCC(=O)N2C)cc1 ZINC000223224846 609708874 /nfs/dbraw/zinc/70/88/74/609708874.db2.gz CHLSCUXKBLCTJE-CVEARBPZSA-N 0 0 332.400 0.782 10 0 ECAERN CN(C)C(=O)[C@@H]1CN(C(=O)Cc2ccncc2)CC12CCOCC2 ZINC000169793149 609747548 /nfs/dbraw/zinc/74/75/48/609747548.db2.gz NCAXZMMMFWXTTE-HNNXBMFYSA-N 0 0 331.416 0.968 10 0 ECAERN O=C1NC2(CCCCC2)C(=O)N1CN1CCO[C@H](Cn2cccn2)C1 ZINC000172499966 609772886 /nfs/dbraw/zinc/77/28/86/609772886.db2.gz IQOSKHJLECRNIT-AWEZNQCLSA-N 0 0 347.419 0.796 10 0 ECAERN COC(=O)c1ncn(CN2CCN(Cc3c(C)nn(C)c3C)CC2)n1 ZINC000152670549 609872040 /nfs/dbraw/zinc/87/20/40/609872040.db2.gz HOLXUICUIODFQG-UHFFFAOYSA-N 0 0 347.423 0.190 10 0 ECAERN CC(C)[C@@]1(C)CC(=O)N(CN2CCO[C@H](Cn3cccn3)C2)C1=O ZINC000152784770 609879857 /nfs/dbraw/zinc/87/98/57/609879857.db2.gz KHTDSMSYYYVCKJ-WMLDXEAASA-N 0 0 334.420 0.963 10 0 ECAERN O=C1c2ccccc2N(CN2CCO[C@H](Cn3cccn3)C2)C1=O ZINC000152835562 609883176 /nfs/dbraw/zinc/88/31/76/609883176.db2.gz UOFMEFMFGSAKNU-ZDUSSCGKSA-N 0 0 326.356 0.771 10 0 ECAERN COC[C@]1(C)NC(=O)N(CN2CCc3c(nc(C(C)C)n3C)C2)C1=O ZINC000153014837 609889096 /nfs/dbraw/zinc/88/90/96/609889096.db2.gz JMUWNAXBTKJEJG-KRWDZBQOSA-N 0 0 349.435 0.816 10 0 ECAERN COc1ccccc1N1C[C@H](C(=O)N2CCOC[C@H]2CO)CC1=O ZINC000912428969 609955179 /nfs/dbraw/zinc/95/51/79/609955179.db2.gz YOBRHOSALKAIOC-CHWSQXEVSA-N 0 0 334.372 0.268 10 0 ECAERN Cc1cccc(C2N=NC(=S)N2CC(=O)N2CCOC[C@H]2CO)c1 ZINC000912429059 609955224 /nfs/dbraw/zinc/95/52/24/609955224.db2.gz ZVRAJQDCBPFQGV-CYBMUJFWSA-N 0 0 348.428 0.762 10 0 ECAERN CC(C)[C@H](C(=O)N1CCOC[C@@H]1CO)N1Cc2ccccc2C1=O ZINC000912430133 609955563 /nfs/dbraw/zinc/95/55/63/609955563.db2.gz FIAFSJPPXUTFQD-GOEBONIOSA-N 0 0 332.400 0.887 10 0 ECAERN Cc1ccc(NC(=O)CSCC(=O)N2CCOC[C@@H]2CO)cc1 ZINC000912428593 609958722 /nfs/dbraw/zinc/95/87/22/609958722.db2.gz XLCJFOBSARHSTH-AWEZNQCLSA-N 0 0 338.429 0.886 10 0 ECAERN CN(C)[C@H](C(=O)N1CC[C@H](n2cc(C3CC3)nn2)C1)c1cncn1C ZINC000912942424 610022955 /nfs/dbraw/zinc/02/29/55/610022955.db2.gz YVLINFWKHPBMQP-BBRMVZONSA-N 0 0 343.435 0.965 10 0 ECAERN O=C(NC[C@]1(CO)COCCN1)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000913187614 610048704 /nfs/dbraw/zinc/04/87/04/610048704.db2.gz CVDZSQWXNKXXPL-MKBNYLNASA-N 0 0 326.343 0.535 10 0 ECAERN O=C1C[C@H](c2ccccn2)CN1CN1CCO[C@@H](Cn2cccn2)C1 ZINC000247016173 612680341 /nfs/dbraw/zinc/68/03/41/612680341.db2.gz JGRZSCVPNDSROB-JKSUJKDBSA-N 0 0 341.415 0.953 10 0 ECAERN CCCn1c(CO)nn(CN2CC[N@H+](CCOC)[C@@H](C)C2)c1=S ZINC000246185275 612791943 /nfs/dbraw/zinc/79/19/43/612791943.db2.gz CPDNZGDQNJJZHV-ZDUSSCGKSA-N 0 0 343.497 0.926 10 0 ECAERN Cn1ccnc1[C@H]1CN([C@H]2CCN(C3CCOCC3)C2=O)CCN1C ZINC000329893843 741616853 /nfs/dbraw/zinc/61/68/53/741616853.db2.gz BACCJUNBOAYVEX-JKSUJKDBSA-N 0 0 347.463 0.489 10 0 ECAERN CCC(CC)(CNC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)C(=O)[O-] ZINC000263066217 282099745 /nfs/dbraw/zinc/09/97/45/282099745.db2.gz OEFBSEJDAKFAMG-LBPRGKRZSA-N 0 0 342.440 0.516 10 0 ECAERN CC(=O)N(c1cccc(C)c1)c1nncc(=O)n1N(C(C)=O)C(C)=O ZINC000027546062 202156299 /nfs/dbraw/zinc/15/62/99/202156299.db2.gz OOCNDHHKJMFHDT-UHFFFAOYSA-N 0 0 343.343 0.662 10 0 ECAERN O=C(Nc1ccc(F)c(F)c1F)C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000187979403 236369212 /nfs/dbraw/zinc/36/92/12/236369212.db2.gz VLZQWKBPBXFZES-UHFFFAOYSA-N 0 0 341.289 0.779 10 0 ECAERN Nc1ccc(S(=O)(=O)N2CCNC(=O)C2)c(Br)c1 ZINC000037053065 202335519 /nfs/dbraw/zinc/33/55/19/202335519.db2.gz YDHQPCHCVBECIO-UHFFFAOYSA-N 0 0 334.195 0.152 10 0 ECAERN C[C@H]1CN(C(=O)Cn2c3ccccc3[nH]c2=O)C[C@@H]1N1CCOCC1 ZINC000076052304 202385210 /nfs/dbraw/zinc/38/52/10/202385210.db2.gz SQNSNGGSKDFNDZ-BBRMVZONSA-N 0 0 344.415 0.509 10 0 ECAERN CCn1cc([C@H]2CN(C(=O)NCCNC(=O)C3CC3)CCO2)cn1 ZINC000190488594 238530469 /nfs/dbraw/zinc/53/04/69/238530469.db2.gz OARUFRBRYMPJAY-CQSZACIVSA-N 0 0 335.408 0.512 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)CNC(=O)OCC(F)(F)F)CC2 ZINC000114869317 201072070 /nfs/dbraw/zinc/07/20/70/201072070.db2.gz CAEOWJFWFCOCRQ-MRVPVSSYSA-N 0 0 349.313 0.560 10 0 ECAERN CCNC(=O)NC1(C(=O)N[C@@H]2CCc3nc(CC)nn3C2)CCCC1 ZINC000114864167 201072231 /nfs/dbraw/zinc/07/22/31/201072231.db2.gz IVDYJZDGIKFHQS-GFCCVEGCSA-N 0 0 348.451 0.903 10 0 ECAERN Cc1cnn(CCNC(=O)[C@H](C)N2C(=O)NC3(CCCC3)C2=O)c1 ZINC000117811706 201078617 /nfs/dbraw/zinc/07/86/17/201078617.db2.gz WMUSJRFNUGCXGJ-LBPRGKRZSA-N 0 0 333.392 0.561 10 0 ECAERN CC(C)C[C@@H](N)C(=O)OCCOCn1cnc2c1nc(N)[nH]c2=O ZINC000255988653 201189488 /nfs/dbraw/zinc/18/94/88/201189488.db2.gz MUAYBPXNPVZUIG-SECBINFHSA-N 0 0 338.368 0.005 10 0 ECAERN CN(C)c1ncccc1O[C@@H]1CCN(C(=O)C2=NN(C)C(=O)CC2)C1 ZINC000275742813 201286806 /nfs/dbraw/zinc/28/68/06/201286806.db2.gz VOTPMYYSVFVQHO-GFCCVEGCSA-N 0 0 345.403 0.736 10 0 ECAERN NC(=O)[C@@]1(O)CCCN(C(=O)c2csc(Br)c2)C1 ZINC000285732755 201332473 /nfs/dbraw/zinc/33/24/73/201332473.db2.gz YMXZJZWFWNGMFC-LLVKDONJSA-N 0 0 333.207 0.963 10 0 ECAERN CCn1cc([C@@H]2CN(C(=O)[C@@H](C)CS(C)(=O)=O)CCO2)cn1 ZINC000191750611 239282746 /nfs/dbraw/zinc/28/27/46/239282746.db2.gz AAQMWYNBQKKYFM-AAEUAGOBSA-N 0 0 329.422 0.484 10 0 ECAERN Cc1nc(NC(=O)C(=O)N2CCO[C@H](Cn3cccn3)C2)sc1C ZINC000193105386 240022437 /nfs/dbraw/zinc/02/24/37/240022437.db2.gz DTFYAAKDBNFWNR-LBPRGKRZSA-N 0 0 349.416 0.823 10 0 ECAERN CCc1nn(C)c(Cl)c1CN1CCN(Cc2nnn(C)n2)CC1 ZINC000193358120 240131033 /nfs/dbraw/zinc/13/10/33/240131033.db2.gz RJSXXFLJQKFUJQ-UHFFFAOYSA-N 0 0 338.847 0.477 10 0 ECAERN CNc1cc(N2CCC[C@H]2CNC(=O)NC[C@H]2CCCO2)ncn1 ZINC000247035157 243357577 /nfs/dbraw/zinc/35/75/77/243357577.db2.gz XOCBQYHUBCQWNO-QWHCGFSZSA-N 0 0 334.424 0.965 10 0 ECAERN O=C([O-])[C@H]1CN(C(=O)c2cnc3cc(Cl)ccc3c2O)CC[NH2+]1 ZINC000071747407 203107131 /nfs/dbraw/zinc/10/71/31/203107131.db2.gz OJIZKIFYFSODSE-GFCCVEGCSA-N 0 0 335.747 0.680 10 0 ECAERN O=c1c2nnc3c(-c4ccc(F)cc4)cnn3c2ncn1CCO ZINC000072449977 203227112 /nfs/dbraw/zinc/22/71/12/203227112.db2.gz ASUXEQMKPDNYLI-UHFFFAOYSA-N 0 0 326.291 0.633 10 0 ECAERN COc1ccc(S(=O)(=O)NC[C@H]2CN(C)CCO2)cc1OC ZINC000074773616 203293672 /nfs/dbraw/zinc/29/36/72/203293672.db2.gz RSDBTMPSKJSXKE-NSHDSACASA-N 0 0 330.406 0.313 10 0 ECAERN O=C(Cc1ccccc1F)N1CCN(C(=O)C2=NNC(=O)CC2)CC1 ZINC000075030892 203299763 /nfs/dbraw/zinc/29/97/63/203299763.db2.gz MFCUWNOSOLPOIE-UHFFFAOYSA-N 0 0 346.362 0.305 10 0 ECAERN CC(C)Cn1c(N)c(C(=O)CN2[C@H](C)COC[C@@H]2C)c(=O)[nH]c1=O ZINC000077370831 203383416 /nfs/dbraw/zinc/38/34/16/203383416.db2.gz HZXFVKDSAZAVJS-PHIMTYICSA-N 0 0 338.408 0.067 10 0 ECAERN COC[C@@H](C)C(=O)NCC(=O)N1CCN(Cc2ccccc2)CC1 ZINC000103433640 204078592 /nfs/dbraw/zinc/07/85/92/204078592.db2.gz YOGUCFUUGCKFBJ-OAHLLOKOSA-N 0 0 333.432 0.730 10 0 ECAERN COCCN1CCN(CC(=O)NC(=O)NCc2ccco2)C[C@@H]1C ZINC000105831683 204165561 /nfs/dbraw/zinc/16/55/61/204165561.db2.gz VNNUMTOWSLHGMG-ZDUSSCGKSA-N 0 0 338.408 0.258 10 0 ECAERN CN1CCO[C@H](CNC(=O)N2CCN(c3ccccc3O)CC2)C1 ZINC000105280762 204140774 /nfs/dbraw/zinc/14/07/74/204140774.db2.gz ZLCOKULBKPHCKX-CQSZACIVSA-N 0 0 334.420 0.554 10 0 ECAERN CN1CCO[C@H](CNC(=O)N[C@H](CO)Cc2c[nH]c3ccccc23)C1 ZINC000105279197 204141106 /nfs/dbraw/zinc/14/11/06/204141106.db2.gz RZNNRAXFDGEMPI-LSDHHAIUSA-N 0 0 346.431 0.701 10 0 ECAERN CN1CCO[C@H](CNC(=O)NCCn2c3ccccc3oc2=O)C1 ZINC000106561398 204204631 /nfs/dbraw/zinc/20/46/31/204204631.db2.gz ZKEVCWJFXHZQFE-GFCCVEGCSA-N 0 0 334.376 0.224 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)Cn2c(=O)cnc3ccccc32)CC1 ZINC000106394419 204192828 /nfs/dbraw/zinc/19/28/28/204192828.db2.gz NCKVLROKKJSZJU-CQSZACIVSA-N 0 0 344.415 0.312 10 0 ECAERN Cn1cc(CN2CCCN(CC(=O)NCc3cccnc3)CC2)cn1 ZINC000111228897 204343346 /nfs/dbraw/zinc/34/33/46/204343346.db2.gz JEPDPSYUYSCRKJ-UHFFFAOYSA-N 0 0 342.447 0.639 10 0 ECAERN CCN(C(=O)[C@@H](C)NC(=O)c1ccco1)[C@@H](C)CS(C)(=O)=O ZINC000112692083 204411523 /nfs/dbraw/zinc/41/15/23/204411523.db2.gz NAAINOSUKYQOEQ-WDEREUQCSA-N 0 0 330.406 0.680 10 0 ECAERN CCOc1ccccc1C(=O)NCC(=O)N[C@H]1CCc2ncnn2C1 ZINC000112725402 204415777 /nfs/dbraw/zinc/41/57/77/204415777.db2.gz FYZUDBYJSMEUDT-LBPRGKRZSA-N 0 0 343.387 0.538 10 0 ECAERN Cc1cnn(C[C@H]2CN(C(=O)[C@@H](C)NC(=O)c3ccoc3)CCO2)c1 ZINC000112064028 204381563 /nfs/dbraw/zinc/38/15/63/204381563.db2.gz UWOJFVJVBMHFDP-UKRRQHHQSA-N 0 0 346.387 0.830 10 0 ECAERN NC(=O)[C@H]1CC[C@H](CNC(=O)N2CCC(Cn3cccn3)CC2)O1 ZINC000126248443 205046744 /nfs/dbraw/zinc/04/67/44/205046744.db2.gz KJVYDIJTIVBZPG-ZIAGYGMSSA-N 0 0 335.408 0.338 10 0 ECAERN O=C(Cc1ccccc1O)N1CCN(c2ccc3nncn3n2)CC1 ZINC000127837075 205120582 /nfs/dbraw/zinc/12/05/82/205120582.db2.gz KSNFIHPYTIHJIJ-UHFFFAOYSA-N 0 0 338.371 0.721 10 0 ECAERN O=C(Nc1cccc2cccnc21)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000177626492 284362093 /nfs/dbraw/zinc/36/20/93/284362093.db2.gz XIPLAEYVIWJOHN-GFCCVEGCSA-N 0 0 336.355 0.896 10 0 ECAERN O=C(NC[C@@H](O)CN1CCOCC1)c1ccc(-c2ncon2)cc1 ZINC000132503677 205329513 /nfs/dbraw/zinc/32/95/13/205329513.db2.gz BGNAGKDCWIWNAS-CQSZACIVSA-N 0 0 332.360 0.160 10 0 ECAERN COc1ccc([C@@H](C)CC(=O)NC[C@@H](O)CN2CCOCC2)cc1 ZINC000133003624 205352198 /nfs/dbraw/zinc/35/21/98/205352198.db2.gz QSRXJXANLWTRCD-GOEBONIOSA-N 0 0 336.432 0.998 10 0 ECAERN Cc1ncc(CN2CCN(C[C@H](O)CN3CCCC3=O)CC2)s1 ZINC000111690346 220180631 /nfs/dbraw/zinc/18/06/31/220180631.db2.gz XMYXFUQIUZEKCD-AWEZNQCLSA-N 0 0 338.477 0.552 10 0 ECAERN CNC(=O)c1cccc(NC(=O)[C@@H](C)N2CCO[C@H](C[NH+](C)C)C2)c1 ZINC000155351260 206002969 /nfs/dbraw/zinc/00/29/69/206002969.db2.gz XEZPUGCQATXNNO-CZUORRHYSA-N 0 0 348.447 0.636 10 0 ECAERN C[C@@H](C1CC1)n1nccc1NC(=O)NC[C@H](O)CN1CCOCC1 ZINC000157256551 206125273 /nfs/dbraw/zinc/12/52/73/206125273.db2.gz JNWBIGIVPVSBAB-JSGCOSHPSA-N 0 0 337.424 0.669 10 0 ECAERN Cc1nn(C)c(C)c1-c1cc(C(=O)N2C[C@@H](C)O[C@@H](C(N)=O)C2)[nH]n1 ZINC000157339171 206130120 /nfs/dbraw/zinc/13/01/20/206130120.db2.gz UYEOOYZDOOSZRX-AMIZOPFISA-N 0 0 346.391 0.142 10 0 ECAERN Cc1oc(-c2ccco2)nc1CC(=O)N1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000157339470 206130153 /nfs/dbraw/zinc/13/01/53/206130153.db2.gz ARKHUZMNCATNTR-NOZJJQNGSA-N 0 0 333.344 0.887 10 0 ECAERN COc1ccc(-n2nnc(C(=O)NC[C@@H]3CN(C)CCO3)c2C)cc1 ZINC000171288363 206684493 /nfs/dbraw/zinc/68/44/93/206684493.db2.gz FAJDQGZUSDDGEZ-OAHLLOKOSA-N 0 0 345.403 0.645 10 0 ECAERN CN([C@H]1CCCN(c2cccnn2)C1)S(=O)(=O)C[C@@H]1CCOC1 ZINC000172459806 206832657 /nfs/dbraw/zinc/83/26/57/206832657.db2.gz CXSNUICKPGOIDU-KGLIPLIRSA-N 0 0 340.449 0.744 10 0 ECAERN NC(=O)c1cccc(CCNC(=O)N2CCC[C@@H](n3cncn3)C2)c1 ZINC000174610442 207036637 /nfs/dbraw/zinc/03/66/37/207036637.db2.gz RTJZLXPCQDZKSG-OAHLLOKOSA-N 0 0 342.403 0.966 10 0 ECAERN Cc1ncc(CN2CCN(C(=O)[C@H]3CSC(=O)N3)CC2)s1 ZINC000174774022 207056311 /nfs/dbraw/zinc/05/63/11/207056311.db2.gz OTXUZWQQWWJINT-LLVKDONJSA-N 0 0 326.447 0.921 10 0 ECAERN CNc1cc(N2CCC[C@@H]2CNC(=O)NCC2(C)COC2)ncn1 ZINC000174884449 207067868 /nfs/dbraw/zinc/06/78/68/207067868.db2.gz KOKSVECRLVMXRA-GFCCVEGCSA-N 0 0 334.424 0.823 10 0 ECAERN Cc1nc(CNC(=O)N2CCN(C[C@H](O)c3ccccc3)CC2)no1 ZINC000175691345 207149695 /nfs/dbraw/zinc/14/96/95/207149695.db2.gz PRYNJOHXDDDVMF-HNNXBMFYSA-N 0 0 345.403 0.939 10 0 ECAERN COc1ncccc1CNC(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000175661437 207146485 /nfs/dbraw/zinc/14/64/85/207146485.db2.gz CZPMQGDJPWFVIG-HIFRSBDPSA-N 0 0 334.420 0.952 10 0 ECAERN Cc1cnn(CCNC(=O)[C@@H]2Nc3ccccc3S(=O)(=O)N2)c1 ZINC000176626227 207244298 /nfs/dbraw/zinc/24/42/98/207244298.db2.gz LOOPOTNGEVLDHL-CYBMUJFWSA-N 0 0 335.389 0.038 10 0 ECAERN Cc1nccn1C[C@H]1CCCN1C(=O)Cc1nc2ncccn2n1 ZINC000177184568 207302949 /nfs/dbraw/zinc/30/29/49/207302949.db2.gz WJMWYYMGNOVIJO-CYBMUJFWSA-N 0 0 325.376 0.863 10 0 ECAERN C[C@@H](O)CN1CCN(C(=O)C(=O)Nc2ccc(Cl)nc2)C[C@H]1C ZINC000177608253 207362476 /nfs/dbraw/zinc/36/24/76/207362476.db2.gz LJIZTZXVPFNXAP-GHMZBOCLSA-N 0 0 340.811 0.587 10 0 ECAERN CCOCc1cccc(NC(=O)C(=O)N[C@H]2CCc3ncnn3C2)c1 ZINC000177635210 207367053 /nfs/dbraw/zinc/36/70/53/207367053.db2.gz IMTJELUXRUVIBR-AWEZNQCLSA-N 0 0 343.387 0.884 10 0 ECAERN CCc1nccn1[C@H]1CCCN(C(=O)C(=O)Nc2ccn(C)n2)C1 ZINC000177661634 207371737 /nfs/dbraw/zinc/37/17/37/207371737.db2.gz HCTJWCKNLSOCEM-LBPRGKRZSA-N 0 0 330.392 0.981 10 0 ECAERN C[C@@H]1CN(C(=O)c2cnc(-c3ccncc3)s2)C[C@@H](C(N)=O)O1 ZINC000177712136 207382889 /nfs/dbraw/zinc/38/28/89/207382889.db2.gz KNFOMOLZZINZHW-KOLCDFICSA-N 0 0 332.385 0.920 10 0 ECAERN CS(=O)(=O)CCNC(=O)N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000178680082 207521326 /nfs/dbraw/zinc/52/13/26/207521326.db2.gz QKEUXNQTFQOGMT-ZWNOBZJWSA-N 0 0 348.371 0.827 10 0 ECAERN C[C@H](NC(=O)c1ccco1)C(=O)NCCn1c(=O)[nH]c2ccccc21 ZINC000175470880 207667805 /nfs/dbraw/zinc/66/78/05/207667805.db2.gz YVTJLMVDWKWFQD-NSHDSACASA-N 0 0 342.355 0.857 10 0 ECAERN CNC(=O)[C@H](NC(=O)c1cc(N2CCNC2=O)ccc1F)C(C)C ZINC000178865025 207693883 /nfs/dbraw/zinc/69/38/83/207693883.db2.gz MUUBGVMVRHXTFP-CYBMUJFWSA-N 0 0 336.367 0.856 10 0 ECAERN Nc1nc2nc[nH]c2c(-c2cccc(C(=O)N3CCC[C@H]3CO)c2)n1 ZINC000426508170 254787485 /nfs/dbraw/zinc/78/74/85/254787485.db2.gz YWNRTTPSWUSITE-LBPRGKRZSA-N 0 0 338.371 0.981 10 0 ECAERN C[C@@H](O)CN1CCN(C(=O)c2cccc(-c3nc[nH]n3)c2)C[C@@H]1C ZINC000154365454 224243792 /nfs/dbraw/zinc/24/37/92/224243792.db2.gz WPUBGVRATDHFJF-QWHCGFSZSA-N 0 0 329.404 0.999 10 0 ECAERN CCOCCN1CCN(C(=O)c2ccnc(-n3cncn3)c2)C[C@H]1C ZINC000117274398 221039861 /nfs/dbraw/zinc/03/98/61/221039861.db2.gz JYIPCMLYDTZFGA-CQSZACIVSA-N 0 0 344.419 0.845 10 0 ECAERN Cc1cnn(CCNC(=O)c2cc(C(N)=O)n(-c3ccccc3)n2)c1 ZINC000117811716 221091924 /nfs/dbraw/zinc/09/19/24/221091924.db2.gz MEIIOVFIASKKJE-UHFFFAOYSA-N 0 0 338.371 0.906 10 0 ECAERN CCc1noc([C@@H](C)N2CCN(S(=O)(=O)[C@H](C)COC)CC2)n1 ZINC000117921976 221100327 /nfs/dbraw/zinc/10/03/27/221100327.db2.gz ZJMBBDLRRZLIGE-VXGBXAGGSA-N 0 0 346.453 0.675 10 0 ECAERN CCc1noc([C@H](C)N2CCN(C[C@H](C)CS(C)(=O)=O)CC2)n1 ZINC000118993357 221219683 /nfs/dbraw/zinc/21/96/83/221219683.db2.gz SEJUAJUDVLGSFZ-STQMWFEESA-N 0 0 344.481 0.991 10 0 ECAERN CCS(=O)(=O)CCN1Cc2cncn2[C@H](C(=O)N2CCCC2)C1 ZINC000253488594 257659331 /nfs/dbraw/zinc/65/93/31/257659331.db2.gz BESLFGKXBNGBFG-AWEZNQCLSA-N 0 0 340.449 0.297 10 0 ECAERN COc1cc(N2C[C@@H]3CN(Cc4cccnc4)C(=O)[C@@H]3C2)ncn1 ZINC000247885299 257674468 /nfs/dbraw/zinc/67/44/68/257674468.db2.gz KNCNGILINSTKNM-ZIAGYGMSSA-N 0 0 325.372 0.975 10 0 ECAERN Cc1c(N2CCN(C(=O)c3ccccc3)CC2)c(=O)n(C)c(=O)n1C ZINC000021885864 135725928 /nfs/dbraw/zinc/72/59/28/135725928.db2.gz IBVZGFNTZJWPEQ-UHFFFAOYSA-N 0 0 342.399 0.355 10 0 ECAERN CCN(CC)C(=O)[C@H]1CCCN1C(=O)NCCNC(=O)C(C)C ZINC000073499213 296614308 /nfs/dbraw/zinc/61/43/08/296614308.db2.gz HVMIZGAWDMWQRP-CYBMUJFWSA-N 0 0 326.441 0.801 10 0 ECAERN CCOC[C@H]1CC[C@H]2[C@H](CCN2S(=O)(=O)c2cn(C)cn2)O1 ZINC000096186644 286180730 /nfs/dbraw/zinc/18/07/30/286180730.db2.gz DJVRSYIRYRQQSC-AGIUHOORSA-N 0 0 329.422 0.767 10 0 ECAERN Cc1cnn(C[C@@H]2CN(C(=O)[C@@H]3CCCN(C(N)=O)C3)CCO2)c1 ZINC000112066688 296639504 /nfs/dbraw/zinc/63/95/04/296639504.db2.gz ZBJHFJAZYLYKAH-KGLIPLIRSA-N 0 0 335.408 0.210 10 0 ECAERN COCCCS(=O)(=O)NCCN1CCCC[C@@H]1c1cn[nH]c1 ZINC000177682587 292372201 /nfs/dbraw/zinc/37/22/01/292372201.db2.gz COVILXKZJMLESW-CQSZACIVSA-N 0 0 330.454 0.893 10 0 ECAERN O=C(CN1CCN(C(=O)N[C@H]2COc3ccccc32)CC1)NC1CC1 ZINC000060587608 164568559 /nfs/dbraw/zinc/56/85/59/164568559.db2.gz KREONDVSLUXYLH-HNNXBMFYSA-N 0 0 344.415 0.726 10 0 ECAERN Cc1nc(C[C@@H]2CCCN(C(=O)Cn3nnnc3C(C)C)C2)no1 ZINC000173383391 164854778 /nfs/dbraw/zinc/85/47/78/164854778.db2.gz FWWXHFBPLUMURH-LBPRGKRZSA-N 0 0 333.396 0.969 10 0 ECAERN CC(=O)N(CCc1ccccc1)CC(=O)N1CCCNC(=O)[C@@H]1C ZINC000188916838 165003105 /nfs/dbraw/zinc/00/31/05/165003105.db2.gz QCUVWRSYIOZISJ-AWEZNQCLSA-N 0 0 331.416 0.815 10 0 ECAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NC[C@@H](O)c1ccc2ccccc2c1 ZINC000189292182 165007860 /nfs/dbraw/zinc/00/78/60/165007860.db2.gz XLSIYEMTMXNAOJ-KZNAEPCWSA-N 0 0 342.395 0.971 10 0 ECAERN C[C@@H]1C(=O)NCCCN1CC(=O)NCCCN1CCCCCC1=O ZINC000189288164 165007944 /nfs/dbraw/zinc/00/79/44/165007944.db2.gz CIUFZYHETHRDSX-CQSZACIVSA-N 0 0 338.452 0.106 10 0 ECAERN CCc1cnc(NC(=O)C(=O)N2CC[C@H](N3CCOCC3)C2)s1 ZINC000190556536 165022055 /nfs/dbraw/zinc/02/20/55/165022055.db2.gz JIXCOCGHNYWQDL-NSHDSACASA-N 0 0 338.433 0.577 10 0 ECAERN CCc1ccccc1N1C[C@@H](C(=O)N2CC(NC(C)=O)C2)CC1=O ZINC000190510311 165022905 /nfs/dbraw/zinc/02/29/05/165022905.db2.gz XWERUJNWKHCVLW-AWEZNQCLSA-N 0 0 329.400 0.949 10 0 ECAERN C[C@@H]1C(=O)NCCCN1C(=O)C(=O)Nc1ccccc1N1CCCC1 ZINC000190683802 165023497 /nfs/dbraw/zinc/02/34/97/165023497.db2.gz RMILGMXLMXMKFG-CYBMUJFWSA-N 0 0 344.415 0.962 10 0 ECAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NC[C@@H](C)COCc1ccccc1 ZINC000192857295 165048323 /nfs/dbraw/zinc/04/83/23/165048323.db2.gz ZZHXZEVPUBVNIS-KBRIMQKVSA-N 0 0 334.416 0.937 10 0 ECAERN Cc1cccc2c(=O)n(CCC(=O)NC[C@@H]3CN(C)CCO3)cnc12 ZINC000194625594 165067964 /nfs/dbraw/zinc/06/79/64/165067964.db2.gz GKLLVABUDSUWQF-CQSZACIVSA-N 0 0 344.415 0.542 10 0 ECAERN Cc1ccc(N2C[C@H](C(=O)NC[C@H]3CN(C)CCO3)CC2=O)cc1 ZINC000194638393 165068189 /nfs/dbraw/zinc/06/81/89/165068189.db2.gz HEZSRDBUOYUVCF-ZBFHGGJFSA-N 0 0 331.416 0.795 10 0 ECAERN CCS(=O)(=O)c1ccc(C(=O)NC[C@H]2CN(C)CCO2)cc1 ZINC000194599760 165070052 /nfs/dbraw/zinc/07/00/52/165070052.db2.gz AKQCFWXEAQUKHV-ZDUSSCGKSA-N 0 0 326.418 0.541 10 0 ECAERN O=C(c1ccccc1F)N1CCCN(C(=O)[C@H]2CNC(=O)C2)CC1 ZINC000194865810 165071074 /nfs/dbraw/zinc/07/10/74/165071074.db2.gz ZTNDIEZIMFLSES-GFCCVEGCSA-N 0 0 333.363 0.636 10 0 ECAERN CC(C)CCNC(=O)[C@@H](C)S(=O)(=O)Cc1nnnn1C(C)C ZINC000195429258 165081076 /nfs/dbraw/zinc/08/10/76/165081076.db2.gz UJEHJAHICLORGU-LLVKDONJSA-N 0 0 331.442 0.720 10 0 ECAERN CN(C(=O)[C@@H]1CNC(=O)C1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000195400168 165082093 /nfs/dbraw/zinc/08/20/93/165082093.db2.gz HEXNTKIKDBTDES-AWEZNQCLSA-N 0 0 330.432 0.683 10 0 ECAERN COC(=O)c1coc(S(=O)(=O)N2CCN3CCCC[C@H]3C2)c1 ZINC000245563530 165109379 /nfs/dbraw/zinc/10/93/79/165109379.db2.gz VVWLGIJFIJNGCC-LBPRGKRZSA-N 0 0 328.390 0.925 10 0 ECAERN CC(=O)N[C@@H]1CCCN([C@H]2CC(=O)N([C@@H](C)c3cccnc3)C2=O)C1 ZINC000246207500 165126711 /nfs/dbraw/zinc/12/67/11/165126711.db2.gz ALTPWLOIWHOKER-MAZHCROVSA-N 0 0 344.415 0.871 10 0 ECAERN C[C@H](O)CN1CCN(C(=O)C(=O)NCCCc2ccccc2)C[C@H]1C ZINC000246769477 165143025 /nfs/dbraw/zinc/14/30/25/165143025.db2.gz PHOTZTDGVJBADH-CVEARBPZSA-N 0 0 347.459 0.649 10 0 ECAERN CC[C@@H]1CN(C(=O)[C@H](C)NC(=O)c2ccoc2)CCN1CCOC ZINC000246935097 165147939 /nfs/dbraw/zinc/14/79/39/165147939.db2.gz BYODUECLSDLFLR-DZGCQCFKSA-N 0 0 337.420 0.967 10 0 ECAERN CCOCCN1CCN(C(=O)[C@H](C)NC(=O)c2ccco2)C[C@@H]1C ZINC000247261476 165158698 /nfs/dbraw/zinc/15/86/98/165158698.db2.gz YPSQQSCPFUMWRA-KBPBESRZSA-N 0 0 337.420 0.967 10 0 ECAERN C[C@@H](NC(=O)c1ccco1)C(=O)NCCNC(=O)c1ccccc1 ZINC000248268081 165171077 /nfs/dbraw/zinc/17/10/77/165171077.db2.gz UHAJYBVXNKCVNF-GFCCVEGCSA-N 0 0 329.356 0.944 10 0 ECAERN CCC(CC)[C@@H](CNC(=O)[C@H]([NH3+])C1CCOCC1)N1CCOCC1 ZINC000261647228 165220468 /nfs/dbraw/zinc/22/04/68/165220468.db2.gz DXMXKGWTMXLJOE-IAGOWNOFSA-N 0 0 341.496 0.994 10 0 ECAERN [NH3+][C@H](C(=O)Nc1cccc(C(=O)N2CCOCC2)c1)C1CCOCC1 ZINC000261703090 165229932 /nfs/dbraw/zinc/22/99/32/165229932.db2.gz IFSMGCCNVWVDTC-INIZCTEOSA-N 0 0 347.415 0.851 10 0 ECAERN Cc1ccc(NC(=O)C2CCN(C(=O)[C@H]3NCCO[C@@H]3C)CC2)nc1 ZINC000262243856 165316259 /nfs/dbraw/zinc/31/62/59/165316259.db2.gz LDEAYPAIUHKIOT-CJNGLKHVSA-N 0 0 346.431 0.944 10 0 ECAERN C[C@H]1OCCN[C@@H]1C(=O)Nc1cccc(N2CCC(C(N)=O)CC2)c1 ZINC000262411997 165347176 /nfs/dbraw/zinc/34/71/76/165347176.db2.gz ZHAGEYVMHLJJQH-WBMJQRKESA-N 0 0 346.431 0.704 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)CNC(=O)Cc2ccccc2)C1 ZINC000262686469 165374994 /nfs/dbraw/zinc/37/49/94/165374994.db2.gz CRRNPLXZLVBTIW-UHFFFAOYSA-N 0 0 347.415 0.399 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)Cn2c(C)c(C)sc2=O)C1 ZINC000262688349 165375046 /nfs/dbraw/zinc/37/50/46/165375046.db2.gz BIMCWGVNDWMQOJ-UHFFFAOYSA-N 0 0 341.433 0.580 10 0 ECAERN COc1ccccc1CC(=O)N1CCO[C@H](C[N@H+](C)CC(=O)[O-])C1 ZINC000262731742 165378869 /nfs/dbraw/zinc/37/88/69/165378869.db2.gz BAPCYNHLDIYWDX-CQSZACIVSA-N 0 0 336.388 0.482 10 0 ECAERN O=C(Nc1cnn(Cc2ccccc2)c1)C(=O)N1CCC[C@@H]1CO ZINC000121240173 221794671 /nfs/dbraw/zinc/79/46/71/221794671.db2.gz MGDLOLRWWHSSML-OAHLLOKOSA-N 0 0 328.372 0.853 10 0 ECAERN Cc1oc(-c2ccco2)nc1CC(=O)NC[C@H](O)CN1CCOCC1 ZINC000128102985 263146527 /nfs/dbraw/zinc/14/65/27/263146527.db2.gz YNMRYGQUQQNAJI-ZDUSSCGKSA-N 0 0 349.387 0.595 10 0 ECAERN O=C([C@@H]1CNC(=O)C1)N1CCN(Cc2nccn2C(F)F)CC1 ZINC000194883401 263169795 /nfs/dbraw/zinc/16/97/95/263169795.db2.gz YPZVBMRPZJESSR-JTQLQIEISA-N 0 0 327.335 0.059 10 0 ECAERN CC(=O)N1CCS(=O)(=O)[C@@H]2CCN(Cc3cccnc3)CC[C@@H]21 ZINC000096251600 278050580 /nfs/dbraw/zinc/05/05/80/278050580.db2.gz DMZQCKOKABXOBL-JKSUJKDBSA-N 0 0 337.445 0.692 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)C(=O)Nc2nc(C)cs2)CC1 ZINC000189472784 437601149 /nfs/dbraw/zinc/60/11/49/437601149.db2.gz DODVILOYKZDKSC-LLVKDONJSA-N 0 0 326.422 0.305 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)C(=O)Nc2cc(F)cc(F)c2)CC1 ZINC000189457548 437602918 /nfs/dbraw/zinc/60/29/18/437602918.db2.gz HVJQJNQNXHNFHB-AWEZNQCLSA-N 0 0 341.358 0.818 10 0 ECAERN CCOCCN1CCN(C(=O)c2cc3c(cn2)nc[nH]c3=O)C[C@@H]1C ZINC000189659314 437606188 /nfs/dbraw/zinc/60/61/88/437606188.db2.gz GHDAQNPMDXCTID-LBPRGKRZSA-N 0 0 345.403 0.501 10 0 ECAERN COCc1noc(CN2CCN(Cc3nnnn3C(C)C)CC2)n1 ZINC000189621649 437608940 /nfs/dbraw/zinc/60/89/40/437608940.db2.gz AFDMLYGNUCZZSY-UHFFFAOYSA-N 0 0 336.400 0.101 10 0 ECAERN CN1CCO[C@H](CNC(=O)NCCC(=O)N2CCCCCC2)C1 ZINC000104794092 290109150 /nfs/dbraw/zinc/10/91/50/290109150.db2.gz FHWXIEBUASBFEY-CQSZACIVSA-N 0 0 326.441 0.409 10 0 ECAERN CO[C@H]1C[C@H](C(=O)N(C)C[C@@H]2CCCCO2)N(S(C)(=O)=O)C1 ZINC000363747366 294638972 /nfs/dbraw/zinc/63/89/72/294638972.db2.gz BYIGPGAYYZRMOJ-RWMBFGLXSA-N 0 0 334.438 0.063 10 0 ECAERN Nc1nc(-n2cccn2)cc(N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)[nH+]1 ZINC000263552152 295366240 /nfs/dbraw/zinc/36/62/40/295366240.db2.gz LQINFXWYJLUKMI-HTQZYQBOSA-N 0 0 342.281 0.944 10 0 ECAERN O=C(Cn1nnc2ccccc2c1=O)N1CCC[C@@H](c2nnc[nH]2)C1 ZINC000333445751 297134838 /nfs/dbraw/zinc/13/48/38/297134838.db2.gz KROXGLSAMUSJLZ-LLVKDONJSA-N 0 0 339.359 0.316 10 0 ECAERN CC(=O)OC[C@@H]1O[C@H](OC(C)=O)C[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000008613035 436031790 /nfs/dbraw/zinc/03/17/90/436031790.db2.gz KLEORKVJPIJWNG-XUXIUFHCSA-N 0 0 332.305 0.091 10 0 ECAERN COc1ccc(-c2cc(C[C@H](O)CO)ccc2O)cc1C[C@@H](O)CO ZINC000072107321 436033075 /nfs/dbraw/zinc/03/30/75/436033075.db2.gz LOZQPRNAFFRXNY-JKSUJKDBSA-N 0 0 348.395 0.859 10 0 ECAERN CC(C)[C@H](C)NC(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 ZINC000072083858 436034264 /nfs/dbraw/zinc/03/42/64/436034264.db2.gz KQWKTZBQSIOYIA-AWEZNQCLSA-N 0 0 348.451 0.859 10 0 ECAERN C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c1ncnc2NC1CCCC1 ZINC000013472701 436061058 /nfs/dbraw/zinc/06/10/58/436061058.db2.gz BVOLJUDYJILMMW-QTDMDRALSA-N 0 0 349.391 0.182 10 0 ECAERN CC[C@H]1Oc2ccccc2N(CC(=O)NCCN2CCOCC2)C1=O ZINC000020686357 436111676 /nfs/dbraw/zinc/11/16/76/436111676.db2.gz WKDKUXKPEWOIGC-OAHLLOKOSA-N 0 0 347.415 0.639 10 0 ECAERN CCn1cc([C@H]2CN(C(=O)[C@@H]3CSCN3C(C)=O)CCO2)cn1 ZINC000372816888 301031694 /nfs/dbraw/zinc/03/16/94/301031694.db2.gz DDPLAPNLRZPPGZ-UONOGXRCSA-N 0 0 338.433 0.724 10 0 ECAERN CCn1cc([C@@H]2CN(C(=O)[C@@H]3CSCN3C(C)=O)CCO2)cn1 ZINC000372816886 301031993 /nfs/dbraw/zinc/03/19/93/301031993.db2.gz DDPLAPNLRZPPGZ-KBPBESRZSA-N 0 0 338.433 0.724 10 0 ECAERN CC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2ccc3n[nH]cc3c2)C1 ZINC000076253960 436196994 /nfs/dbraw/zinc/19/69/94/436196994.db2.gz ANOSGZLWSOTORT-ZDUSSCGKSA-N 0 0 329.360 0.629 10 0 ECAERN Cn1c(=O)[nH]c(N)c(N(Cc2ccccc2)C(=O)C(F)(F)F)c1=O ZINC000039125263 436263002 /nfs/dbraw/zinc/26/30/02/436263002.db2.gz ORXWIDRGKWBMNL-UHFFFAOYSA-N 0 0 342.277 0.751 10 0 ECAERN C[C@@H](CNC(=O)NCc1ccc([S@](C)=O)cc1)N1CCOCC1 ZINC000080071918 436312195 /nfs/dbraw/zinc/31/21/95/436312195.db2.gz CCSNBRYOCBQHAD-ZAMGYDSWSA-N 0 0 339.461 0.944 10 0 ECAERN Cc1cc(N2CCN(c3cn[nH]c(=O)c3Cl)CC2)n2ncnc2n1 ZINC000080971387 436334449 /nfs/dbraw/zinc/33/44/49/436334449.db2.gz YDKCXNCJIRKNCA-UHFFFAOYSA-N 0 0 346.782 0.908 10 0 ECAERN O=C(c1ccc(Br)s1)N1CC[C@]2(C1)NC(=O)NC2=O ZINC000083856813 436377018 /nfs/dbraw/zinc/37/70/18/436377018.db2.gz WYFPCNCMXGZBRL-LLVKDONJSA-N 0 0 344.190 0.935 10 0 ECAERN Cc1ccn(C)c(=O)c1NC(=O)C(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000091238515 436447490 /nfs/dbraw/zinc/44/74/90/436447490.db2.gz NWYBOGFEQIWKKM-UHFFFAOYSA-N 0 0 343.387 0.762 10 0 ECAERN NC(=O)[C@H]1COCCN1C(=O)c1cnn(-c2ccc(Cl)cc2)c1 ZINC000091783984 436460266 /nfs/dbraw/zinc/46/02/66/436460266.db2.gz TVWIIJWFSYSTBL-CYBMUJFWSA-N 0 0 334.763 0.852 10 0 ECAERN NC(=O)[C@@H]1COCCN1Cc1nc(COc2ccc(F)cc2)no1 ZINC000092228763 436469309 /nfs/dbraw/zinc/46/93/09/436469309.db2.gz YTVSADOCWAUMCC-LBPRGKRZSA-N 0 0 336.323 0.474 10 0 ECAERN Cc1cn2c(ncc(C(=O)N[C@@H]3CCCn4ncnc43)c2=O)s1 ZINC000092949718 436478033 /nfs/dbraw/zinc/47/80/33/436478033.db2.gz VWOANSLCCCWQCM-SNVBAGLBSA-N 0 0 330.373 0.921 10 0 ECAERN Cc1cc(NC(=O)NC[C@H](O)CN2CCOCC2)cnc1Cl ZINC000092928207 436479041 /nfs/dbraw/zinc/47/90/41/436479041.db2.gz UPLHOWXMMKTNQE-LBPRGKRZSA-N 0 0 328.800 0.858 10 0 ECAERN CC(C)(CNC(=O)CN1CCO[C@@H]2CCCC[C@@H]21)N1CCOCC1 ZINC000051994482 436500788 /nfs/dbraw/zinc/50/07/88/436500788.db2.gz WEZDEJZQPDVBQP-JKSUJKDBSA-N 0 0 339.480 0.857 10 0 ECAERN C[C@H]([C@H](C)NC(=O)NC[C@H](C)N1CCOCC1)N1CCOCC1 ZINC000105124176 436569383 /nfs/dbraw/zinc/56/93/83/436569383.db2.gz FKDXEYCOIBJCLV-SOUVJXGZSA-N 0 0 328.457 0.116 10 0 ECAERN Cc1nn(C)c(C)c1CN(C(=O)Cn1cc(C)c(=O)[nH]c1=O)C(C)C ZINC000055403547 436576021 /nfs/dbraw/zinc/57/60/21/436576021.db2.gz FMQMFYPETHYWKZ-UHFFFAOYSA-N 0 0 347.419 0.633 10 0 ECAERN O=C(CN1CCN(C[C@H](O)c2ccccc2)CC1)NC[C@H]1CCCO1 ZINC000105911801 436586544 /nfs/dbraw/zinc/58/65/44/436586544.db2.gz RKNHIMPVUKSZCX-MSOLQXFVSA-N 0 0 347.459 0.633 10 0 ECAERN CCCCCNC(=O)CN1CCN(c2ccc3nncn3n2)CC1 ZINC000105911389 436586575 /nfs/dbraw/zinc/58/65/75/436586575.db2.gz PYXIVTSDVVKSDQ-UHFFFAOYSA-N 0 0 331.424 0.553 10 0 ECAERN COC(=O)CNC(=O)CCN1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000111212747 436629962 /nfs/dbraw/zinc/62/99/62/436629962.db2.gz UHRPDHOLZFUBGE-CYBMUJFWSA-N 0 0 349.435 0.821 10 0 ECAERN COc1cccc(CNC(=O)N2CCO[C@H](Cn3cccn3)C2)n1 ZINC000111846550 436632788 /nfs/dbraw/zinc/63/27/88/436632788.db2.gz GNBCEKKVJPPJAU-AWEZNQCLSA-N 0 0 331.376 0.897 10 0 ECAERN CN(CC(=O)N[C@H]1CCc2ncnn2C1)S(=O)(=O)c1ccccc1 ZINC000112649060 436633224 /nfs/dbraw/zinc/63/32/24/436633224.db2.gz OCWVYSZTXNKLPC-LBPRGKRZSA-N 0 0 349.416 0.030 10 0 ECAERN O=C(Nc1cc[nH]n1)[C@H](NC(=O)[C@H]1CNC(=O)C1)c1ccccc1 ZINC000112902218 436634216 /nfs/dbraw/zinc/63/42/16/436634216.db2.gz MJTBXSDACFVUTJ-BXUZGUMPSA-N 0 0 327.344 0.342 10 0 ECAERN Cc1nn(C)c(Cl)c1S(=O)(=O)N[C@H]1CCc2ncnn2C1 ZINC000113299014 436637260 /nfs/dbraw/zinc/63/72/60/436637260.db2.gz VFFTZZWIZWGHAA-QMMMGPOBSA-N 0 0 330.801 0.267 10 0 ECAERN CN(C)C(=O)C1(CNC(=O)N[C@H]2CCc3ncnn3C2)CCCC1 ZINC000113631845 436638388 /nfs/dbraw/zinc/63/83/88/436638388.db2.gz VPTIKGXBTFATSG-LBPRGKRZSA-N 0 0 334.424 0.541 10 0 ECAERN CCOCCN1CCN(C(=O)c2ccc(C(N)=O)cn2)C[C@H]1CC ZINC000116766783 436651436 /nfs/dbraw/zinc/65/14/36/436651436.db2.gz VPDLVYMUJRJESI-CQSZACIVSA-N 0 0 334.420 0.753 10 0 ECAERN C[C@@H](NC(=O)C(=O)Nc1ccnn1Cc1ccccn1)[C@@H]1CCCO1 ZINC000151241238 436699157 /nfs/dbraw/zinc/69/91/57/436699157.db2.gz JCTCBJZBFKREHN-OCCSQVGLSA-N 0 0 343.387 0.949 10 0 ECAERN CNS(=O)(=O)c1ccc(C(=O)N2CC[C@]3(O)CCCC[C@H]3C2)o1 ZINC000151351918 436701908 /nfs/dbraw/zinc/70/19/08/436701908.db2.gz ULLXKUQBYQVEOQ-XHDPSFHLSA-N 0 0 342.417 0.955 10 0 ECAERN O=c1[nH]c2ccc(S(=O)(=O)NC[C@@H]3CCCC[C@@H]3O)cc2[nH]1 ZINC000121302220 436712405 /nfs/dbraw/zinc/71/24/05/436712405.db2.gz HHZWCKWZLNMKPF-ZANVPECISA-N 0 0 325.390 0.686 10 0 ECAERN CN(C(=O)NCCN1CCOCC1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000151804952 436713427 /nfs/dbraw/zinc/71/34/27/436713427.db2.gz ZJCDRXYLIZCHFB-OAHLLOKOSA-N 0 0 348.451 0.419 10 0 ECAERN O=C(NCCOCCOCCOCCO)OCc1ccccc1 ZINC000143878795 436677090 /nfs/dbraw/zinc/67/70/90/436677090.db2.gz LZYLAQQSLXVJRO-UHFFFAOYSA-N 0 0 327.377 0.955 10 0 ECAERN CCc1nnc(Cn2cnc3c(nnn3-c3ccccc3)c2=O)n1C ZINC000195188490 436683075 /nfs/dbraw/zinc/68/30/75/436683075.db2.gz HWZBYCFYWJQDNI-UHFFFAOYSA-N 0 0 336.359 0.716 10 0 ECAERN Cc1cccc(CN2CCC[C@@](O)(CN3CCNC(=O)C3)C2=O)c1 ZINC000067673976 436720670 /nfs/dbraw/zinc/72/06/70/436720670.db2.gz TWXPEMLPLYWWRF-GOSISDBHSA-N 0 0 331.416 0.280 10 0 ECAERN CN1C(=O)C[C@@H](C(=O)NC[C@@H]2CN(C)CCO2)[C@H]1c1ccc(F)cc1 ZINC000121756524 436722086 /nfs/dbraw/zinc/72/20/86/436722086.db2.gz ALUPSAPQTSNNTB-BFYDXBDKSA-N 0 0 349.406 0.792 10 0 ECAERN O=C(CNC(=O)c1cccnc1)N[C@H]1CCCN(c2cccnn2)C1 ZINC000152265467 436723956 /nfs/dbraw/zinc/72/39/56/436723956.db2.gz BZSKJEIVKYUZFH-AWEZNQCLSA-N 0 0 340.387 0.387 10 0 ECAERN COCCN1CCN(C(=O)C(=O)Nc2ncc(C)s2)C[C@@H]1C ZINC000123758645 436742734 /nfs/dbraw/zinc/74/27/34/436742734.db2.gz IZOPQCYCTOQZRI-JTQLQIEISA-N 0 0 326.422 0.569 10 0 ECAERN CCn1nc(C)c(NC(=O)C(=O)N2CCC[C@H](n3cncn3)C2)c1C ZINC000153333305 436754402 /nfs/dbraw/zinc/75/44/02/436754402.db2.gz DERLJTYNDUFJQS-ZDUSSCGKSA-N 0 0 345.407 0.914 10 0 ECAERN COc1c(CNC(=O)N2CCC[C@@H](Cn3ccnn3)C2)c(C)nn1C ZINC000153774013 436763145 /nfs/dbraw/zinc/76/31/45/436763145.db2.gz OVQPIWMREGGSCI-CYBMUJFWSA-N 0 0 347.423 0.950 10 0 ECAERN CC(C)CS(=O)(=O)CCC(=O)N1CCC[C@H](Cn2cncn2)C1 ZINC000127114817 436797324 /nfs/dbraw/zinc/79/73/24/436797324.db2.gz XZQYEIZPNJFLDB-AWEZNQCLSA-N 0 0 342.465 0.978 10 0 ECAERN CC(C)CS(=O)(=O)CC(=O)N1CCC[C@@H](Cn2cncn2)C1 ZINC000127290822 436800172 /nfs/dbraw/zinc/80/01/72/436800172.db2.gz ZRYGVMSRQJYFAP-CYBMUJFWSA-N 0 0 328.438 0.588 10 0 ECAERN CN1CCN(CC(=O)N2CCC[C@H](C(N)=O)C2)[C@@H](c2ccccc2)C1 ZINC000248395626 436801680 /nfs/dbraw/zinc/80/16/80/436801680.db2.gz GIBMFFSGEYVKOJ-DLBZAZTESA-N 0 0 344.459 0.699 10 0 ECAERN C[C@@H]1COC[C@@H](C)N1C(=O)C1CCN(c2ccc3nncn3n2)CC1 ZINC000130875982 436843857 /nfs/dbraw/zinc/84/38/57/436843857.db2.gz QLCHWHGVKVSFJP-CHWSQXEVSA-N 0 0 344.419 0.977 10 0 ECAERN C[C@H](NC(=O)c1ccco1)C(=O)N[C@H](C(N)=O)c1ccc(F)cc1 ZINC000131661738 436855300 /nfs/dbraw/zinc/85/53/00/436855300.db2.gz BSMQZXVGPPBCRZ-ZANVPECISA-N 0 0 333.319 0.880 10 0 ECAERN C[C@@H](NC(=O)CSc1nnnn1C1CC1)c1nnc2n1CCCC2 ZINC000135421331 436916452 /nfs/dbraw/zinc/91/64/52/436916452.db2.gz DOBMTJDULGGHNI-SECBINFHSA-N 0 0 348.436 0.905 10 0 ECAERN C[C@@H]1OCC[C@H]1S(=O)(=O)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000135672609 436924026 /nfs/dbraw/zinc/92/40/26/436924026.db2.gz YWDSHJNFCGRHSZ-DZGCQCFKSA-N 0 0 342.465 0.435 10 0 ECAERN C[C@@H](CNC(=O)N1CCC(Cn2ccnn2)CC1)N1CCOCC1 ZINC000163583081 436926665 /nfs/dbraw/zinc/92/66/65/436926665.db2.gz HJDILNJFAKVIKG-AWEZNQCLSA-N 0 0 336.440 0.420 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)N(C)C[C@H]2CCC[C@H]2O)C1 ZINC000263439916 436966995 /nfs/dbraw/zinc/96/69/95/436966995.db2.gz DGWUQQZQADNIDY-BLYZHGLHSA-N 0 0 327.425 0.726 10 0 ECAERN O=C([O-])C[N@H+](CC1CC1)C1CC(NS(=O)(=O)CCCCF)C1 ZINC000263486070 436968547 /nfs/dbraw/zinc/96/85/47/436968547.db2.gz MRRHVLGUAZGZSG-UHFFFAOYSA-N 0 0 336.429 0.983 10 0 ECAERN COC(=O)CNC(=O)[C@@H](C)N1CCN(c2nc3ccccc3o2)CC1 ZINC000171559709 436982201 /nfs/dbraw/zinc/98/22/01/436982201.db2.gz AHMBFTXUPJNFOY-GFCCVEGCSA-N 0 0 346.387 0.628 10 0 ECAERN Cc1ccc(-c2nnn(CC(=O)NC[C@@H]3CN(C)CCO3)n2)cc1 ZINC000171321018 436975452 /nfs/dbraw/zinc/97/54/52/436975452.db2.gz XSARHBBCKHKXER-CQSZACIVSA-N 0 0 330.392 0.095 10 0 ECAERN O=C(NC1CCN(C(=O)c2ccco2)CC1)[C@@H]1CC(F)(F)CN1 ZINC000262986320 436948005 /nfs/dbraw/zinc/94/80/05/436948005.db2.gz NFLTXOKAHJVJQE-NSHDSACASA-N 0 0 327.331 0.998 10 0 ECAERN C[C@H](CNC(=O)NCCc1cccc(C(N)=O)c1)N1CCOCC1 ZINC000170680360 436949958 /nfs/dbraw/zinc/94/99/58/436949958.db2.gz PADVOTKABCJISD-CYBMUJFWSA-N 0 0 334.420 0.348 10 0 ECAERN CCCC(=O)N[C@@H]1CCCN(C(=O)NCCCN2CCOCC2)C1 ZINC000170743572 436951238 /nfs/dbraw/zinc/95/12/38/436951238.db2.gz RVGHIPNHBZSMCA-OAHLLOKOSA-N 0 0 340.468 0.799 10 0 ECAERN C[C@@H](CN1CCOCC1)N(Cc1ccccc1)C(=O)[C@H]1CNC(=O)C1 ZINC000170847270 436956291 /nfs/dbraw/zinc/95/62/91/436956291.db2.gz CHFNQQSRDCQDPG-DOTOQJQBSA-N 0 0 345.443 0.872 10 0 ECAERN CCn1cnnc1[C@@H]1CCCN(C(=O)CNC(=O)c2ccccn2)C1 ZINC000172543731 437019241 /nfs/dbraw/zinc/01/92/41/437019241.db2.gz NXWCCZHHSFBSGV-CYBMUJFWSA-N 0 0 342.403 0.829 10 0 ECAERN O=C(c1cc(-n2cccn2)ccn1)N1CC[C@@H](N2CCOCC2)C1 ZINC000172749013 437028094 /nfs/dbraw/zinc/02/80/94/437028094.db2.gz OSJQBUFDQULUBE-OAHLLOKOSA-N 0 0 327.388 0.814 10 0 ECAERN O=C(NCCCc1ccccc1)C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000172759425 437029473 /nfs/dbraw/zinc/02/94/73/437029473.db2.gz PLBIHEDWEUALCN-QGZVFWFLSA-N 0 0 345.443 0.669 10 0 ECAERN COCCOC[C@@H]1CCN(c2cc(N3CCC[C@@H]3CO)ncn2)C1 ZINC000172783243 437030167 /nfs/dbraw/zinc/03/01/67/437030167.db2.gz FDICOXYZADRIAA-HUUCEWRRSA-N 0 0 336.436 0.927 10 0 ECAERN O=C(c1ccc(-n2cnnn2)cc1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000171883258 436990985 /nfs/dbraw/zinc/99/09/85/436990985.db2.gz HBHJWSBPMNFUDL-OAHLLOKOSA-N 0 0 339.359 0.400 10 0 ECAERN O=C(CN1CCCCCCC1=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000171883226 436991139 /nfs/dbraw/zinc/99/11/39/436991139.db2.gz OIUMYCDKQKYAIM-OAHLLOKOSA-N 0 0 334.420 0.903 10 0 ECAERN O=C(CCN1C(=O)c2ccccc2C1=O)N[C@@H]1CCc2ncnn2C1 ZINC000172002167 436995266 /nfs/dbraw/zinc/99/52/66/436995266.db2.gz SYGGIUDCHHJINX-LLVKDONJSA-N 0 0 339.355 0.395 10 0 ECAERN COC(C)(C)C(=O)N1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000172233657 437004505 /nfs/dbraw/zinc/00/45/05/437004505.db2.gz KSZHQAIOABUZEY-HNNXBMFYSA-N 0 0 336.432 0.996 10 0 ECAERN COCCN1CCN(C(=O)NCCc2c(C)nn(C)c2C)C[C@@H]1C ZINC000172327243 437010425 /nfs/dbraw/zinc/01/04/25/437010425.db2.gz GUTWLQBUYOZMSJ-ZDUSSCGKSA-N 0 0 337.468 0.942 10 0 ECAERN O=C(CCN1CCCS1(=O)=O)N1CCC(c2cc[nH]n2)CC1 ZINC000172385664 437012665 /nfs/dbraw/zinc/01/26/65/437012665.db2.gz GTJDCAFBYCBHSD-UHFFFAOYSA-N 0 0 326.422 0.541 10 0 ECAERN CN(C(=O)NCCNC(=O)C1CC1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000172436587 437013688 /nfs/dbraw/zinc/01/36/88/437013688.db2.gz MIKCASVLJNUMAS-CQSZACIVSA-N 0 0 346.435 0.613 10 0 ECAERN Cc1nnc([C@@H]2CN(CCN3C(=O)c4ccccc4C3=O)CCO2)[nH]1 ZINC000173678292 437059767 /nfs/dbraw/zinc/05/97/67/437059767.db2.gz SXMHIRSWVIUQCV-AWEZNQCLSA-N 0 0 341.371 0.783 10 0 ECAERN Cc1nnc([C@H]2CN(S(=O)(=O)N3CCCCCC3)CCO2)[nH]1 ZINC000173734660 437061238 /nfs/dbraw/zinc/06/12/38/437061238.db2.gz HPJLOGZDZJTNHR-GFCCVEGCSA-N 0 0 329.426 0.607 10 0 ECAERN CCN(CC)S(=O)(=O)N1CCCN(Cc2noc(C)n2)CC1 ZINC000173826039 437065638 /nfs/dbraw/zinc/06/56/38/437065638.db2.gz DGRCCQOAKVTGIC-UHFFFAOYSA-N 0 0 331.442 0.472 10 0 ECAERN COC(=O)CCCc1nc(CN2CC[C@@H](N3CCOCC3)C2)no1 ZINC000173940288 437067570 /nfs/dbraw/zinc/06/75/70/437067570.db2.gz QHHYZQRPFUESQA-CYBMUJFWSA-N 0 0 338.408 0.472 10 0 ECAERN CCN(CC)S(=O)(=O)NC[C@@H]1CCCN1c1cc(NC)ncn1 ZINC000173900300 437068329 /nfs/dbraw/zinc/06/83/29/437068329.db2.gz YFVFURTYMQBWFL-LBPRGKRZSA-N 0 0 342.469 0.663 10 0 ECAERN C[C@@H](NC(=O)CCNS(C)(=O)=O)c1cccc(-n2ccnc2)c1 ZINC000173924738 437068819 /nfs/dbraw/zinc/06/88/19/437068819.db2.gz CCJRMBMXKOBXLN-GFCCVEGCSA-N 0 0 336.417 0.989 10 0 ECAERN Cc1cc(N2CCC[C@H](NC(=O)c3ccnc(C)n3)C2=O)n(C)n1 ZINC000173067517 437037244 /nfs/dbraw/zinc/03/72/44/437037244.db2.gz RVJRJDURQMZIJC-ZDUSSCGKSA-N 0 0 328.376 0.752 10 0 ECAERN CCN(CC)C(=O)[C@H]1CCCN1C(=O)N[C@@H]1CCc2nc(C)nn2C1 ZINC000174634106 437082525 /nfs/dbraw/zinc/08/25/25/437082525.db2.gz WZYWOHWZQWAFSL-ZIAGYGMSSA-N 0 0 348.451 0.944 10 0 ECAERN Cc1nnc([C@@H]2CN(C(=O)NCc3cccnc3N(C)C)CCO2)[nH]1 ZINC000175373647 437101662 /nfs/dbraw/zinc/10/16/62/437101662.db2.gz QDIMRERAQAKXRF-ZDUSSCGKSA-N 0 0 345.407 0.857 10 0 ECAERN NS(=O)(=O)[C@H]1C=CN=C(I)[C@H]1OC1CC1 ZINC000095734556 303442138 /nfs/dbraw/zinc/44/21/38/303442138.db2.gz YCIXVNSYRXMVGG-BQBZGAKWSA-N 0 0 342.158 0.552 10 0 ECAERN CNC(=O)CN1CCC(NC(=O)N[C@@H]2CCCC[C@@H]2CO)CC1 ZINC000175950833 437125265 /nfs/dbraw/zinc/12/52/65/437125265.db2.gz FDTPPDFUJMVJJV-TZMCWYRMSA-N 0 0 326.441 0.047 10 0 ECAERN NC(=O)c1ccc(N2C[C@H]3OCCN(Cc4ccccc4)[C@H]3C2)nn1 ZINC000301633513 437129058 /nfs/dbraw/zinc/12/90/58/437129058.db2.gz JYSJUIHTABVRGO-JKSUJKDBSA-N 0 0 339.399 0.665 10 0 ECAERN C[C@H]1CN(C(=O)NCCCN2CCCC2=O)C[C@@H]1N1CCOCC1 ZINC000177297368 437179368 /nfs/dbraw/zinc/17/93/68/437179368.db2.gz MGMKHFGHZSFUQH-GJZGRUSLSA-N 0 0 338.452 0.361 10 0 ECAERN O=C([C@H]1CC(=O)N(c2cn[nH]c2)C1)N1CCO[C@@H](c2nccs2)C1 ZINC000178223728 437210143 /nfs/dbraw/zinc/21/01/43/437210143.db2.gz JWCLFVRDTOEDOD-CMPLNLGQSA-N 0 0 347.400 0.819 10 0 ECAERN CCCN(C)S(=O)(=O)N[C@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000178356591 437212238 /nfs/dbraw/zinc/21/22/38/437212238.db2.gz MAEVOUYOZCVFBF-LBPRGKRZSA-N 0 0 343.453 0.400 10 0 ECAERN CNC(=O)[C@H](NC(=O)Nc1ccc(-n2ncn(C)c2=O)cc1)C(C)C ZINC000179428922 437265152 /nfs/dbraw/zinc/26/51/52/437265152.db2.gz GGNDXAXPNKVHLE-CYBMUJFWSA-N 0 0 346.391 0.463 10 0 ECAERN C[N@@H+](CC(=O)[O-])C[C@H]1CN(C(=O)c2cc3ccccn3c2)CCO1 ZINC000328602855 437237774 /nfs/dbraw/zinc/23/77/74/437237774.db2.gz CZIHSLCWVPVQON-HNNXBMFYSA-N 0 0 331.372 0.797 10 0 ECAERN Cc1cn2nc(NC[C@@H]3CC(=O)N(C)[C@H]3c3cnn(C)c3)sc2n1 ZINC000328610156 437239320 /nfs/dbraw/zinc/23/93/20/437239320.db2.gz GRPXSTPBRPRJAR-GXFFZTMASA-N 0 0 345.432 1.464 10 0 ECAERN Cc1cc(F)c(C(=O)N2C[C@@H](O)[C@H]([N@H+](C)CC(=O)[O-])C2)cc1F ZINC000328603762 437240492 /nfs/dbraw/zinc/24/04/92/437240492.db2.gz HDRXMZMRBYPWBX-CHWSQXEVSA-N 0 0 328.315 0.475 10 0 ECAERN CCN1C[C@@H](C(=O)N2CCN(CC)[C@H](c3nccn3C)C2)CC1=O ZINC000328634592 437244648 /nfs/dbraw/zinc/24/46/48/437244648.db2.gz UFVSOZVJZVXQIS-KBPBESRZSA-N 0 0 333.436 0.494 10 0 ECAERN Cn1cnnc1[C@H]1CN(C[C@H](O)COc2ccc(F)cc2)CCO1 ZINC000328631580 437244908 /nfs/dbraw/zinc/24/49/08/437244908.db2.gz KRVALEHFJVCETG-DZGCQCFKSA-N 0 0 336.367 0.767 10 0 ECAERN NC(=O)c1noc([C@H]2CCCN2CC(=O)N2CCc3ccccc32)n1 ZINC000328656372 437248188 /nfs/dbraw/zinc/24/81/88/437248188.db2.gz ZGOBGNDZAWSCDT-CYBMUJFWSA-N 0 0 341.371 0.895 10 0 ECAERN CN1C(=O)C[C@@H](C(=O)NCC(=O)NCC2CC2)[C@@H]1c1ccc(F)cc1 ZINC000180897976 437305851 /nfs/dbraw/zinc/30/58/51/437305851.db2.gz HMDZUHYGZOMWTP-PBHICJAKSA-N 0 0 347.390 0.988 10 0 ECAERN CC(C)c1nnc2n1C[C@H](NC(=O)NCCNC(=O)C1CC1)CC2 ZINC000181401153 437319354 /nfs/dbraw/zinc/31/93/54/437319354.db2.gz HGCZCIGMGFYTSV-GFCCVEGCSA-N 0 0 334.424 0.542 10 0 ECAERN C[C@H]1CN(C(=O)C(=O)Nc2ccc(F)cc2)C[C@@H]1N1CCOCC1 ZINC000180254040 437283986 /nfs/dbraw/zinc/28/39/86/437283986.db2.gz GDQJJTDZSLMTEE-WFASDCNBSA-N 0 0 335.379 0.943 10 0 ECAERN CN1C(=O)C[C@@H](C(=O)NCCCOCCO)[C@H]1c1ccc(F)cc1 ZINC000180373385 437287447 /nfs/dbraw/zinc/28/74/47/437287447.db2.gz XUTIXCQTXFMWJL-GDBMZVCRSA-N 0 0 338.379 0.860 10 0 ECAERN COCC(=O)NC1CN(C(=O)c2c(C)onc2-c2ccccn2)C1 ZINC000185255621 437431655 /nfs/dbraw/zinc/43/16/55/437431655.db2.gz AEARVYRJZNRMJE-UHFFFAOYSA-N 0 0 330.344 0.632 10 0 ECAERN CCCCOc1cccc(CNC(=O)CN2C[C@H](O)C[C@@H]2CO)c1 ZINC000185131403 437428156 /nfs/dbraw/zinc/42/81/56/437428156.db2.gz FTJXZJOVLURAOP-HZPDHXFCSA-N 0 0 336.432 0.909 10 0 ECAERN COCC(=O)NC1CN(C(=O)C(F)(F)c2ccc(OC)cc2)C1 ZINC000186312255 437469468 /nfs/dbraw/zinc/46/94/68/437469468.db2.gz SHBKBUJGAMVKIO-UHFFFAOYSA-N 0 0 328.315 0.760 10 0 ECAERN Cc1nn(C)c(Cl)c1S(=O)(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000186186177 437464623 /nfs/dbraw/zinc/46/46/23/437464623.db2.gz YPXZCXGEFXRBJA-UHFFFAOYSA-N 0 0 346.840 0.671 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)N1CC(NC(=O)C3CC3)C1)CC2 ZINC000187114737 437492496 /nfs/dbraw/zinc/49/24/96/437492496.db2.gz LWPSBGVGPVSDKU-LLVKDONJSA-N 0 0 332.408 0.075 10 0 ECAERN CC(=O)NC1CN(C(=O)C(=O)Nc2cc(-n3cccn3)ccc2C)C1 ZINC000188098621 437523874 /nfs/dbraw/zinc/52/38/74/437523874.db2.gz HOEDEXGDUYKQPF-UHFFFAOYSA-N 0 0 341.371 0.466 10 0 ECAERN C[C@H](CS(C)(=O)=O)NC(=O)N1C[C@H](CO)[C@H](c2ccsc2)C1 ZINC000187101251 437490963 /nfs/dbraw/zinc/49/09/63/437490963.db2.gz RCRYEGBDLXCNQH-RTXFEEFZSA-N 0 0 346.474 0.899 10 0 ECAERN Cn1ccc2cccc(NC(=O)C(=O)N[C@H]3CCc4ncnn4C3)c21 ZINC000190552394 437630527 /nfs/dbraw/zinc/63/05/27/437630527.db2.gz ZGNWMZSQGQAYPI-LBPRGKRZSA-N 0 0 338.371 0.840 10 0 ECAERN O=C(N[C@H]1COc2ccccc21)c1cc(N2CCNC(=O)C2)ccn1 ZINC000190650867 437633240 /nfs/dbraw/zinc/63/32/40/437633240.db2.gz IYWBCWJTPBCTEY-HNNXBMFYSA-N 0 0 338.367 0.881 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)C2=C(C)N(C)c3ncnn3[C@@H]2C)CC1 ZINC000192210873 437672589 /nfs/dbraw/zinc/67/25/89/437672589.db2.gz PFQFPURXAOHXHA-KGLIPLIRSA-N 0 0 348.451 0.478 10 0 ECAERN COc1cc(S(=O)(=O)NC[C@@H](O)C[NH+]2CCCCC2)ccc1F ZINC000190687939 437637175 /nfs/dbraw/zinc/63/71/75/437637175.db2.gz OHBNFCQCWLRGOA-GFCCVEGCSA-N 0 0 346.424 0.959 10 0 ECAERN CCn1cc([C@@H]2CN(CC(=O)NCc3cccnc3)CCO2)cn1 ZINC000190781289 437639261 /nfs/dbraw/zinc/63/92/61/437639261.db2.gz ZIQUEQHONKANMY-INIZCTEOSA-N 0 0 329.404 0.988 10 0 ECAERN CCn1cc([C@H]2CN([C@@H](C)C(=O)NC(=O)NC(C)C)CCO2)cn1 ZINC000190800556 437640019 /nfs/dbraw/zinc/64/00/19/437640019.db2.gz UANVVBSWPBGRAR-GXTWGEPZSA-N 0 0 337.424 0.899 10 0 ECAERN CNC(=O)c1cccc(CCNC(=O)N[C@@H](C(=O)NC)C(C)C)c1 ZINC000192665483 437686300 /nfs/dbraw/zinc/68/63/00/437686300.db2.gz VSLLLHINJSRVEA-CQSZACIVSA-N 0 0 334.420 0.659 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)CC1 ZINC000365378719 437904596 /nfs/dbraw/zinc/90/45/96/437904596.db2.gz HSYOCMXFIMMCFY-XEZPLFJOSA-N 0 0 341.477 0.356 10 0 ECAERN CC(=O)N[C@@H]1[C@H](OC(C)=O)C[C@H](CF)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000575629031 438751616 /nfs/dbraw/zinc/75/16/16/438751616.db2.gz IIHVKSRJKCVISE-ZSAUSMIDSA-N 0 0 347.339 0.276 10 0 ECAERN C[C@@H]1C[C@H]1C(=O)N1CCC[C@@H](CS(=O)(=O)N2CCOCC2)C1 ZINC000521396684 439118303 /nfs/dbraw/zinc/11/83/03/439118303.db2.gz OLIDBQBLRBRHFN-MGPQQGTHSA-N 0 0 330.450 0.543 10 0 ECAERN O[C@H]1COCC[C@@H]1NCc1ncc(I)s1 ZINC000599012536 439344480 /nfs/dbraw/zinc/34/44/80/439344480.db2.gz SYEOKSGZQNFLIS-BQBZGAKWSA-N 0 0 340.186 0.987 10 0 ECAERN CC[C@@H](C)[C@H](CO)NC(=O)COc1ccc(-c2nnn(C)n2)cc1 ZINC000606440309 439408647 /nfs/dbraw/zinc/40/86/47/439408647.db2.gz BEJNUVXZEWZUHK-RISCZKNCSA-N 0 0 333.392 0.779 10 0 ECAERN Cn1c(Cl)cnc1CN1CCC([C@@H](O)C(=O)NC2CC2)CC1 ZINC000583623178 439488686 /nfs/dbraw/zinc/48/86/86/439488686.db2.gz VYUAMNGGIBQUGI-CQSZACIVSA-N 0 0 326.828 0.925 10 0 ECAERN O[C@@]1(c2cn[nH]n2)CCCN(Cc2nncn2-c2ccccc2)C1 ZINC000583617910 439489421 /nfs/dbraw/zinc/48/94/21/439489421.db2.gz IVIOSLNNVMEWIC-INIZCTEOSA-N 0 0 325.376 0.869 10 0 ECAERN O[C@]1(c2cn[nH]n2)CCCN(Cc2ncnn2-c2ccccc2)C1 ZINC000583618027 439489691 /nfs/dbraw/zinc/48/96/91/439489691.db2.gz VYRQUKIIYHZUDP-MRXNPFEDSA-N 0 0 325.376 0.869 10 0 ECAERN CCOC(=O)c1ccccc1[C@H]1COCCCN1S(N)(=O)=O ZINC000616646711 439820656 /nfs/dbraw/zinc/82/06/56/439820656.db2.gz AANVJXWFFDDGLD-CYBMUJFWSA-N 0 0 328.390 0.830 10 0 ECAERN CCOC(=O)c1ccccc1[C@H]1CCOCCN1S(N)(=O)=O ZINC000616658728 439820697 /nfs/dbraw/zinc/82/06/97/439820697.db2.gz CQPDTYNBDZQIMZ-CYBMUJFWSA-N 0 0 328.390 0.830 10 0 ECAERN CCn1nccc1[C@@H]1OCCC[C@H]1CNC(=O)c1ccc(=O)n(C)n1 ZINC000617585991 439913781 /nfs/dbraw/zinc/91/37/81/439913781.db2.gz SGNIYRNXWJAZEH-BLLLJJGKSA-N 0 0 345.403 0.894 10 0 ECAERN CNC(=O)/C=C/CNC(=O)[C@@H]1CC(=O)N(c2cccc(OC)c2)C1 ZINC000618254137 440090493 /nfs/dbraw/zinc/09/04/93/440090493.db2.gz GDBYSWQFUYLTEX-RPTYSRGTSA-N 0 0 331.372 0.467 10 0 ECAERN COC[C@@]1(C(N)=O)CCCN1S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000643701708 440269492 /nfs/dbraw/zinc/26/94/92/440269492.db2.gz FUMYTYDBLRZWSX-MRXNPFEDSA-N 0 0 338.429 0.830 10 0 ECAERN Cc1nnc2n1C[C@H](C(=O)NCc1cccc3c1OCO3)N(C)C2 ZINC000644316196 440522280 /nfs/dbraw/zinc/52/22/80/440522280.db2.gz ZDQIPBKBLHMCTL-GFCCVEGCSA-N 0 0 329.360 0.446 10 0 ECAERN Cc1nn(C)cc1S(=O)(=O)NC[C@@H]1CCO[C@H]1c1nccn1C ZINC000659994795 440563251 /nfs/dbraw/zinc/56/32/51/440563251.db2.gz YARMUFVCCRPLSX-WCQYABFASA-N 0 0 339.421 0.518 10 0 ECAERN CCN1C(=O)C[C@H](C(=O)NCCn2ccnc2)[C@H]1c1cnn(C)c1C ZINC000666353418 440622966 /nfs/dbraw/zinc/62/29/66/440622966.db2.gz WVJPXZFYKLWNJY-BBRMVZONSA-N 0 0 344.419 0.651 10 0 ECAERN O=C([O-])[C@H]1CC[C@@H](C(=O)N2CCN(c3ccc(F)cn3)CC2)C[NH2+]1 ZINC000657213401 440989280 /nfs/dbraw/zinc/98/92/80/440989280.db2.gz NFXUXYVOEWUWJE-DGCLKSJQSA-N 0 0 336.367 0.322 10 0 ECAERN CO[C@@H]1CN(S(=O)(=O)Cc2ccccc2F)C[C@H]1c1cn[nH]n1 ZINC000657144325 440972749 /nfs/dbraw/zinc/97/27/49/440972749.db2.gz GYZMLURGIVTYMR-SMDDNHRTSA-N 0 0 340.380 0.888 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)NCc2ccn3ccnc3c2)CC1 ZINC000182000897 320528556 /nfs/dbraw/zinc/52/85/56/320528556.db2.gz NKQIKCGVVGHYFC-HNNXBMFYSA-N 0 0 331.420 0.932 10 0 ECAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)N1C[C@@H](C)O[C@@H](CO)C1)CC2 ZINC000248731021 320543598 /nfs/dbraw/zinc/54/35/98/320543598.db2.gz VZKUQILNMACLMP-FRRDWIJNSA-N 0 0 337.424 0.508 10 0 ECAERN CO[C@H]1C[C@@H](C(N)=O)N(C(=O)Cn2cc(-c3ccccc3)c(C)n2)C1 ZINC000284703366 320632211 /nfs/dbraw/zinc/63/22/11/320632211.db2.gz XXZDBPRJFBJTKX-HOCLYGCPSA-N 0 0 342.399 0.960 10 0 ECAERN C[C@@H](C(=O)N(C)CC(=O)N1CCC[C@@H](n2cccn2)C1)n1cccn1 ZINC000328714748 320728912 /nfs/dbraw/zinc/72/89/12/320728912.db2.gz SNMPYUCBXSKDJX-LSDHHAIUSA-N 0 0 344.419 0.963 10 0 ECAERN Cn1c(CN2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)nc2ccccc2c1=O ZINC000329164476 320757204 /nfs/dbraw/zinc/75/72/04/320757204.db2.gz GZKJZZUDGWKVCE-SMDDNHRTSA-N 0 0 333.413 0.552 10 0 ECAERN O=C(C[C@H]1CCCCNC1=O)N1CCC[C@](O)(Cn2ccnn2)C1 ZINC000329197345 320759147 /nfs/dbraw/zinc/75/91/47/320759147.db2.gz UEZRTSXIQDWEJP-CZUORRHYSA-N 0 0 335.408 0.778 10 0 ECAERN C[C@H]1COCCN1c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCOC1 ZINC000329666837 320783853 /nfs/dbraw/zinc/78/38/53/320783853.db2.gz QHWKZEWLJANCPH-STQMWFEESA-N 0 0 332.408 0.940 10 0 ECAERN C[C@]1(C(=O)N2CC(S(=O)(=O)NC3CCCC3)C2)CCCNC1=O ZINC000330301700 320815871 /nfs/dbraw/zinc/81/58/71/320815871.db2.gz JDTVLISJIVWWHY-HNNXBMFYSA-N 0 0 343.449 0.816 10 0 ECAERN CC(=O)NC1CN(C(=O)[C@@H]2CCc3[nH]nc(C(F)(F)F)c3C2)C1 ZINC000191480174 526712748 /nfs/dbraw/zinc/71/27/48/526712748.db2.gz VNNWAJWUXAJVHM-MRVPVSSYSA-N 0 0 330.310 0.880 10 0 ECAERN CC(C)(NS(C)(=O)=O)C(=O)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000187696106 527297492 /nfs/dbraw/zinc/29/74/92/527297492.db2.gz RQOHOKBZZUPHCN-RYUDHWBXSA-N 0 0 346.474 0.610 10 0 ECAERN Nc1cc(=O)[nH]c(CCNC(=O)c2cc(-c3ccccc3F)n[nH]2)n1 ZINC000091365049 527440361 /nfs/dbraw/zinc/44/03/61/527440361.db2.gz GJOYKDKOJIGPBT-UHFFFAOYSA-N 0 0 342.334 0.854 10 0 ECAERN CCN(C)C(=O)CNC(=O)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000187840649 527712371 /nfs/dbraw/zinc/71/23/71/527712371.db2.gz SYFDRHDZMAMTAN-STQMWFEESA-N 0 0 325.434 0.944 10 0 ECAERN CN(C)[C@@H](C(=O)N1CCO[C@H](C[N@H+](C)CC(=O)[O-])C1)c1ccccc1 ZINC000262794987 536120565 /nfs/dbraw/zinc/12/05/65/536120565.db2.gz DORPGPOAGNZUJK-NVXWUHKLSA-N 0 0 349.431 0.533 10 0 ECAERN CN[C@H](C(=O)NCC(=O)N1CCc2ccccc21)c1cnn(C)c1 ZINC000262553438 536381434 /nfs/dbraw/zinc/38/14/34/536381434.db2.gz PCSBWPQOPVUKBH-INIZCTEOSA-N 0 0 327.388 0.386 10 0 ECAERN C[C@@H](CNC(=O)C(=O)Nc1cnn(CC2CC2)c1)N1CCOCC1 ZINC000177819558 545875488 /nfs/dbraw/zinc/87/54/88/545875488.db2.gz NDFYXWMLOXKISN-LBPRGKRZSA-N 0 0 335.408 0.069 10 0 ECAERN CNC(=O)[C@H](NC(=O)N[C@@H]1CCN(c2ncccc2F)C1)C(C)C ZINC000178439322 545877925 /nfs/dbraw/zinc/87/79/25/545877925.db2.gz RSPAFHYWDBDVBB-DGCLKSJQSA-N 0 0 337.399 0.869 10 0 ECAERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1ccnn1-c1ccccc1 ZINC000179432678 545882657 /nfs/dbraw/zinc/88/26/57/545882657.db2.gz IMDXKLPQZRUUMK-ZDUSSCGKSA-N 0 0 341.371 0.548 10 0 ECAERN CNC(=O)[C@H](NC(=O)C(=O)Nc1cccc(N(C)C)c1C)C(C)C ZINC000180740750 545884605 /nfs/dbraw/zinc/88/46/05/545884605.db2.gz AUMJTEPXMSBBEZ-CQSZACIVSA-N 0 0 334.420 0.886 10 0 ECAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N(C)C[C@H](O)C(F)(F)F ZINC000181544687 545885542 /nfs/dbraw/zinc/88/55/42/545885542.db2.gz RRZZNZBCCGWXRL-ZJUUUORDSA-N 0 0 346.371 0.572 10 0 ECAERN CN1CCN(Cc2ccccc2)[C@@H](CNC(=O)[C@H]2CNC(=O)C2)C1 ZINC000620722803 546444524 /nfs/dbraw/zinc/44/45/24/546444524.db2.gz IGDXDDLARZLEJB-CVEARBPZSA-N 0 0 330.432 0.055 10 0 ECAERN C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1[C@@H]1C[NH2+]C[C@@H](C(=O)[O-])C1 ZINC000675060246 564112289 /nfs/dbraw/zinc/11/22/89/564112289.db2.gz CMPIPHCAUVTXMR-AGIUHOORSA-N 0 0 327.425 0.990 10 0 ECAERN [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)[O-] ZINC000005273982 571688637 /nfs/dbraw/zinc/68/86/37/571688637.db2.gz JAQGKXUEKGKTKX-JKSUJKDBSA-N 0 0 344.367 0.780 10 0 endogenous,in-man ECAERN CC(C)(C)OC(=O)N1CC[C@@]2(CC(=O)O[C@@H]2CS(N)(=O)=O)C1 ZINC000757224640 579460238 /nfs/dbraw/zinc/46/02/38/579460238.db2.gz PVGIUIBJVYAASA-NOZJJQNGSA-N 0 0 334.394 0.218 10 0 ECAERN C[C@H](OC(=O)Cn1ccc(=O)n(C)c1=O)c1nc2ccccc2[nH]1 ZINC000102129785 588912023 /nfs/dbraw/zinc/91/20/23/588912023.db2.gz NWRHJIBFENSDFR-JTQLQIEISA-N 0 0 328.328 0.728 10 0 ECAERN C[C@@H]1CN(C)C[C@@H](C(=O)Nc2cccnc2N2CCC(O)CC2)O1 ZINC000896145119 586223356 /nfs/dbraw/zinc/22/33/56/586223356.db2.gz YFYROJNSQKYNHF-DOMZBBRYSA-N 0 0 334.420 0.700 10 0 ECAERN CC1(C)CN(C(=O)[C@@H]2CCCO[C@H]2c2ncc[nH]2)CCS1(=O)=O ZINC000888075970 586245323 /nfs/dbraw/zinc/24/53/23/586245323.db2.gz IRBVCABOHPOQRK-VXGBXAGGSA-N 0 0 341.433 0.913 10 0 ECAERN CO[C@@H]1C[C@H](c2ncc[nH]2)N(S(=O)(=O)c2cn(C)c(C)n2)C1 ZINC000888077480 586245700 /nfs/dbraw/zinc/24/57/00/586245700.db2.gz DEDFBUBUZHLIIA-GHMZBOCLSA-N 0 0 325.394 0.602 10 0 ECAERN Cn1[nH]cnc1=NC(=O)C[C@]1(O)CCC[N@H+](Cc2ccccc2)C1 ZINC000896993411 586280151 /nfs/dbraw/zinc/28/01/51/586280151.db2.gz PWFJNGDBORXMMQ-QGZVFWFLSA-N 0 0 329.404 0.593 10 0 ECAERN O=S(=O)(c1ccc(N2CC[C@@H](CCO)C2)cc1)N1CCOCC1 ZINC000892674793 586281796 /nfs/dbraw/zinc/28/17/96/586281796.db2.gz YKLFUKJIUIGLBP-AWEZNQCLSA-N 0 0 340.445 0.916 10 0 ECAERN CNC(=O)c1cccc(OCC(=O)N[C@@H]2C[C@@H](O)C23CCOCC3)c1 ZINC000888094583 586348943 /nfs/dbraw/zinc/34/89/43/586348943.db2.gz CTHQFMLBDVNLGG-HUUCEWRRSA-N 0 0 348.399 0.471 10 0 ECAERN CNC(=O)[C@@H]1CC(=O)N(C2CN(C(=O)c3occ4c3CCCC4)C2)C1 ZINC000888098380 586349973 /nfs/dbraw/zinc/34/99/73/586349973.db2.gz JWHFJDXZBCBTES-GFCCVEGCSA-N 0 0 345.399 0.577 10 0 ECAERN CCc1c[nH]c(=O)c(C(=O)N[C@H]2COC[C@H]2Oc2cnn(C)c2)c1 ZINC000888100788 586350306 /nfs/dbraw/zinc/35/03/06/586350306.db2.gz SUWRWRHYBXAILH-UONOGXRCSA-N 0 0 332.360 0.659 10 0 ECAERN Cc1ncncc1C(=O)N[C@@H]1CCCC[C@@H]1Cc1nn(C)c(=O)n1C ZINC000888099358 586350360 /nfs/dbraw/zinc/35/03/60/586350360.db2.gz VZOLKABPLUMDER-TZMCWYRMSA-N 0 0 344.419 0.749 10 0 ECAERN Cn1cc([C@@H]2OCC[C@H]2CNC(=O)c2cccn3nnnc23)cn1 ZINC000897976158 586390085 /nfs/dbraw/zinc/39/00/85/586390085.db2.gz REHZYODEFSRDAS-GXFFZTMASA-N 0 0 327.348 0.365 10 0 ECAERN Cn1cc([C@@H]2OCCC[C@H]2C(=O)N2CCN(c3nc[nH]n3)CC2)cn1 ZINC000898318626 586415669 /nfs/dbraw/zinc/41/56/69/586415669.db2.gz QOOKKWHZOSFANP-KGLIPLIRSA-N 0 0 345.407 0.355 10 0 ECAERN CC(C)c1nc([C@@H]2CCCN(C(=O)CN3CCNC(=O)C3)C2)no1 ZINC000900538672 586641223 /nfs/dbraw/zinc/64/12/23/586641223.db2.gz RZWVOAVAWQVELL-GFCCVEGCSA-N 0 0 335.408 0.331 10 0 ECAERN CC1=C(C)C(=O)N(CCC(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)C1=O ZINC000900881866 586672612 /nfs/dbraw/zinc/67/26/12/586672612.db2.gz UZXKWVZJOFDDGD-IUODEOHRSA-N 0 0 349.431 0.261 10 0 ECAERN Cn1cc([C@@H]2[C@@H](C(=O)OCCn3cccn3)CCC(=O)N2C)cn1 ZINC000115737783 589718938 /nfs/dbraw/zinc/71/89/38/589718938.db2.gz HZHOYJBTYSBMAY-DZGCQCFKSA-N 0 0 331.376 0.770 10 0 ECAERN Cn1cc(O[C@@H]2COC[C@@H]2NC(=O)Cn2cc3ccccc3n2)cn1 ZINC000862924930 589974530 /nfs/dbraw/zinc/97/45/30/589974530.db2.gz WDIOEMQXFGKYKW-JKSUJKDBSA-N 0 0 341.371 0.732 10 0 ECAERN COc1ccc(C(=O)NC2CC([N@@H+](CC(=O)[O-])CC3CC3)C2)nn1 ZINC000886062792 590788809 /nfs/dbraw/zinc/78/88/09/590788809.db2.gz HZZWYKBQZGHDKR-UHFFFAOYSA-N 0 0 334.376 0.543 10 0 ECAERN CCN1CCO[C@@H](CNC(=O)c2cnc(C)[nH]2)[C@@H]1c1ccnn1C ZINC000886066108 590789923 /nfs/dbraw/zinc/78/99/23/590789923.db2.gz NGTIVISQHASNNS-GJZGRUSLSA-N 0 0 332.408 0.643 10 0 ECAERN CO[C@H]1CCCCN(CC(=O)N2CCn3c(nnc3C3CC3)C2)C1=O ZINC000886075535 590790754 /nfs/dbraw/zinc/79/07/54/590790754.db2.gz NPSIPFRPRZEKAR-ZDUSSCGKSA-N 0 0 347.419 0.525 10 0 ECAERN O=C([O-])[C@@]1([NH+]2CCN(c3nccc(C(F)(F)F)n3)CC2)CCOC1 ZINC000886095458 590794366 /nfs/dbraw/zinc/79/43/66/590794366.db2.gz XBZFKAGMOMWLNJ-CYBMUJFWSA-N 0 0 346.309 0.861 10 0 ECAERN Cn1cnnc1C[C@@]1(O)CCCN(C(=O)c2cccc3cn[nH]c32)C1 ZINC000886095408 590794872 /nfs/dbraw/zinc/79/48/72/590794872.db2.gz VIKVTNCWZFLORQ-KRWDZBQOSA-N 0 0 340.387 0.901 10 0 ECAERN Cc1cnn([C@H]2[C@H](O)C[C@@H]2NC(=O)c2nn(C)c3c2CCCC3)c1 ZINC000886095487 590794989 /nfs/dbraw/zinc/79/49/89/590794989.db2.gz YANKWYAVVZKPLI-JGGQBBKZSA-N 0 0 329.404 0.908 10 0 ECAERN O=C(CN1Cc2ccccc2C1=O)N[C@@H]1C[C@@H](O)C12CCOCC2 ZINC000887017536 590925277 /nfs/dbraw/zinc/92/52/77/590925277.db2.gz ZLHWQUHLUIGQDA-HUUCEWRRSA-N 0 0 330.384 0.689 10 0 ECAERN CO[C@@H]1CC(=O)N(CN2CCN(Cc3c(C)nn(C)c3C)CC2)C1 ZINC000189145447 611505050 /nfs/dbraw/zinc/50/50/50/611505050.db2.gz SMJKWDSPQXKRRN-OAHLLOKOSA-N 0 0 335.452 0.359 10 0 ECAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCO[C@H](C(F)F)C1 ZINC000194164618 608606824 /nfs/dbraw/zinc/60/68/24/608606824.db2.gz UCWVJEIRHPNCBX-MNOVXSKESA-N 0 0 340.392 0.683 10 0 ECAERN CN1C(=O)CN(CN2CCCC[C@H]2c2nnc3n2CCCC3)C1=O ZINC000182275943 609101732 /nfs/dbraw/zinc/10/17/32/609101732.db2.gz PZGDNZXLKSSIBF-LBPRGKRZSA-N 0 0 332.408 0.993 10 0 ECAERN CC(C)c1nnc([C@H]2CCCCN2C(=O)[C@@H]2OCCN(C)C2=O)[nH]1 ZINC000908251117 609649000 /nfs/dbraw/zinc/64/90/00/609649000.db2.gz BEVPBOSECGCCLS-VXGBXAGGSA-N 0 0 335.408 0.839 10 0 ECAERN O=C(CCn1c(=O)c(N2CCCCC2)nc2ccccc21)NCCO ZINC000222899696 609705962 /nfs/dbraw/zinc/70/59/62/609705962.db2.gz SXWXPBQYVXJNFU-UHFFFAOYSA-N 0 0 344.415 0.885 10 0 ECAERN C[C@H](Oc1ccc(-n2cnnn2)cc1)C(=O)NCC1(CO)CCC1 ZINC000223248955 609708946 /nfs/dbraw/zinc/70/89/46/609708946.db2.gz UCRBYPMGOXLCAP-LBPRGKRZSA-N 0 0 331.376 0.708 10 0 ECAERN O=C([O-])c1nccnc1C(=O)NCC1(C[NH+]2CCCC2)CCOCC1 ZINC000223597762 609713036 /nfs/dbraw/zinc/71/30/36/609713036.db2.gz SLZICJRIAVEXHA-UHFFFAOYSA-N 0 0 348.403 0.797 10 0 ECAERN CC(C)C[C@H]1Nc2ncnc(NCC(=O)N3CCOCC3)c2NC1=O ZINC000224011650 609716505 /nfs/dbraw/zinc/71/65/05/609716505.db2.gz MCCPXSCRFDROEP-LLVKDONJSA-N 0 0 348.407 0.526 10 0 ECAERN CC(C)[C@H]1Nc2ncnc(N[C@H]3CCS(=O)(=O)C3)c2NC1=O ZINC000223987819 609716506 /nfs/dbraw/zinc/71/65/06/609716506.db2.gz WTZHHLRDQUPYEC-DTWKUNHWSA-N 0 0 325.394 0.464 10 0 ECAERN CC(C)[C@@H]1Nc2ncnc(N[C@H]3CCS(=O)(=O)C3)c2NC1=O ZINC000223987770 609716529 /nfs/dbraw/zinc/71/65/29/609716529.db2.gz WTZHHLRDQUPYEC-IUCAKERBSA-N 0 0 325.394 0.464 10 0 ECAERN Cc1nc(NCC(=O)N2CCOCC2)c2c(n1)N[C@@H](C(C)C)C(=O)N2 ZINC000224029202 609716896 /nfs/dbraw/zinc/71/68/96/609716896.db2.gz FWZQDZZFRRMQNS-LBPRGKRZSA-N 0 0 348.407 0.444 10 0 ECAERN Cc1nc(N[C@@H]2CCS(=O)(=O)C2)c2c(n1)N[C@H](C(C)C)C(=O)N2 ZINC000224029460 609716967 /nfs/dbraw/zinc/71/69/67/609716967.db2.gz HLWBPTRZFYKVKP-NXEZZACHSA-N 0 0 339.421 0.773 10 0 ECAERN S=c1ncccn1CN1CCN(c2ccc3nncn3n2)CC1 ZINC000172497231 609772910 /nfs/dbraw/zinc/77/29/10/609772910.db2.gz GZFSESAZAOGOHR-UHFFFAOYSA-N 0 0 328.405 0.830 10 0 ECAERN CC(C)(C)n1cc(NC(=O)C(=O)N2CC[C@@H](N3CCOCC3)C2)cn1 ZINC000153881502 609934114 /nfs/dbraw/zinc/93/41/14/609934114.db2.gz XOCNGCSNHGJUIX-CQSZACIVSA-N 0 0 349.435 0.510 10 0 ECAERN Cn1cc(CNc2ccc(C(=O)N3CCOC[C@H]3CO)cc2)cn1 ZINC000912415138 609952595 /nfs/dbraw/zinc/95/25/95/609952595.db2.gz GQZLFNGZACKZJY-MRXNPFEDSA-N 0 0 330.388 0.866 10 0 ECAERN O=C(CNC(=O)c1cnc(Cl)c(Cl)c1)N1CCOC[C@H]1CO ZINC000912417517 609956586 /nfs/dbraw/zinc/95/65/86/609956586.db2.gz UUTUOSULTCEKML-SECBINFHSA-N 0 0 348.186 0.338 10 0 ECAERN Cc1nn(C)c(C)c1[C@@H]1OCC[C@H]1NC(=O)[C@@H]1CN(C)C[C@@H](C)O1 ZINC000913086784 610037311 /nfs/dbraw/zinc/03/73/11/610037311.db2.gz LMMQKMFFRVGPAG-HPAJIGNASA-N 0 0 336.436 0.702 10 0 ECAERN CC(C)c1nnc2n1C[C@H](NC(=O)NCCc1ccnn1C)CC2 ZINC000184905545 610922868 /nfs/dbraw/zinc/92/28/68/610922868.db2.gz NSDXUXOWGDMERZ-GFCCVEGCSA-N 0 0 331.424 0.992 10 0 ECAERN C[C@@H]1CN(CN2CC[C@@](C)(Cc3ccccc3)C2=O)C[C@H](C(N)=O)O1 ZINC000188703353 611756614 /nfs/dbraw/zinc/75/66/14/611756614.db2.gz DMZNUNLLDTUDQR-OGWOLHLISA-N 0 0 345.443 1.000 10 0 ECAERN O=C1O[C@H](CN2CCN(c3ccc4nncn4n3)CC2)CC12CCC2 ZINC000191999234 611881327 /nfs/dbraw/zinc/88/13/27/611881327.db2.gz FQNWKQLAOAEYJV-ZDUSSCGKSA-N 0 0 342.403 0.732 10 0 ECAERN CC(=O)N[C@@H]1CCCN(C(=O)c2cc(Br)nn2C)C1 ZINC000192080493 611899812 /nfs/dbraw/zinc/89/98/12/611899812.db2.gz MVRACRJKVFLBCJ-SECBINFHSA-N 0 0 329.198 0.923 10 0 ECAERN COc1cccc(C2=NO[C@@H](C(=O)N[C@H]3CCc4ncnn4C3)C2)c1 ZINC000194302303 612168256 /nfs/dbraw/zinc/16/82/56/612168256.db2.gz LAKVLBVBLJBOCU-SWLSCSKDSA-N 0 0 341.371 0.911 10 0 ECAERN CCc1nnc(CSc2nnc(-n3nc(C)cc3C)n2N)n1C ZINC000194682985 612256185 /nfs/dbraw/zinc/25/61/85/612256185.db2.gz MNEMPQBNYYTVHT-UHFFFAOYSA-N 0 0 333.425 0.778 10 0 ECAERN C[C@H](O)CN1CCN(C(=O)c2cnn(-c3ccc(F)cc3)n2)C[C@@H]1C ZINC000246607887 612297106 /nfs/dbraw/zinc/29/71/06/612297106.db2.gz CBNLYIKZWXMOMS-STQMWFEESA-N 0 0 347.394 0.934 10 0 ECAERN O=S(=O)(N[C@@H]1COc2ccccc21)C1CCS(=O)(=O)CC1 ZINC000328648242 740254293 /nfs/dbraw/zinc/25/42/93/740254293.db2.gz AGOPDAGLQSVXIK-GFCCVEGCSA-N 0 0 331.415 0.617 10 0 ECAERN CCc1ccc(S(=O)(=O)N2CCOC[C@H]2C(N)=O)cc1CC ZINC000183351088 529696606 /nfs/dbraw/zinc/69/66/06/529696606.db2.gz XSAVTSCKGSGICH-AWEZNQCLSA-N 0 0 326.418 0.686 10 0 ECAERN O=C1C[C@H](N2CCC3(CC2)OCCO3)C(=O)N1c1cccc(O)c1 ZINC000019766836 202019939 /nfs/dbraw/zinc/01/99/39/202019939.db2.gz DFTCUXYKGOZRAK-AWEZNQCLSA-N 0 0 332.356 0.863 10 0 ECAERN NC(=O)[C@@H]1COCCN1S(=O)(=O)c1cccc(Cl)c1Cl ZINC000183361872 235028503 /nfs/dbraw/zinc/02/85/03/235028503.db2.gz HLBBRSRUOWUZFY-QMMMGPOBSA-N 0 0 339.200 0.868 10 0 ECAERN CN(C(=O)NCC(=O)NCC1CC1)[C@H]1CCCN(c2cccnn2)C1 ZINC000183783373 235225578 /nfs/dbraw/zinc/22/55/78/235225578.db2.gz KYIZJXORODKJDS-AWEZNQCLSA-N 0 0 346.435 0.613 10 0 ECAERN Cc1cc(N2CCC[C@@H](NC(=O)/C=C/c3ccncn3)C2=O)n(C)n1 ZINC000184329340 235368304 /nfs/dbraw/zinc/36/83/04/235368304.db2.gz VXWDSJIKRAOPDW-VBROQKIQSA-N 0 0 340.387 0.844 10 0 ECAERN O=C(CNC(=O)N1CC(NC(=O)C2CC2)C1)N1CCc2ccccc21 ZINC000186788189 236021307 /nfs/dbraw/zinc/02/13/07/236021307.db2.gz ITBYLNATFMFING-UHFFFAOYSA-N 0 0 342.399 0.496 10 0 ECAERN O=C(Nc1cnccn1)[C@@H]1COC[C@H]2CN(c3ncccn3)C[C@H]21 ZINC000096064476 295963305 /nfs/dbraw/zinc/96/33/05/295963305.db2.gz LWLKGYOBIYPKBG-JHJVBQTASA-N 0 0 326.360 0.604 10 0 ECAERN C[C@@H]1OCCC[C@H]1C(=O)NCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000187903507 236334225 /nfs/dbraw/zinc/33/42/25/236334225.db2.gz PUPGQICCNNVPIJ-GXSJLCMTSA-N 0 0 332.360 0.726 10 0 ECAERN COc1cc(C)ccc1NC(=O)CSc1nnc(C)c(=O)n1N ZINC000032521159 202225941 /nfs/dbraw/zinc/22/59/41/202225941.db2.gz MPVNCRVWEUDUMV-UHFFFAOYSA-N 0 0 335.389 0.708 10 0 ECAERN Cc1ccccc1CN1CCN(CC(=O)NC(C)C)S1(=O)=O ZINC000033045344 202248747 /nfs/dbraw/zinc/24/87/47/202248747.db2.gz NXGMBPFOOVADIR-UHFFFAOYSA-N 0 0 325.434 0.882 10 0 ECAERN CNC(=O)[C@H]1CCCCN1C(=O)Cn1nc(C)c2ccccc2c1=O ZINC000033213136 202252506 /nfs/dbraw/zinc/25/25/06/202252506.db2.gz DXFVRYZPPNVWLS-OAHLLOKOSA-N 0 0 342.399 0.832 10 0 ECAERN CN(C(=O)C(=O)Nc1cccnc1)[C@H]1CCCN(c2cccnn2)C1 ZINC000188562560 236597774 /nfs/dbraw/zinc/59/77/74/236597774.db2.gz SBCFBZNIWQFFGB-AWEZNQCLSA-N 0 0 340.387 0.938 10 0 ECAERN CCn1cc([C@@H]2CN(C(=O)NCC(=O)NCC3CC3)CCO2)cn1 ZINC000189805492 237269358 /nfs/dbraw/zinc/26/93/58/237269358.db2.gz RNASYWMCPDSGAA-AWEZNQCLSA-N 0 0 335.408 0.512 10 0 ECAERN Cc1cc(F)ccc1N1CC[C@@H](C(=O)NCCN2CCOCC2)C1=O ZINC000034676276 202275169 /nfs/dbraw/zinc/27/51/69/202275169.db2.gz JDBAHZYTWGGDRG-HNNXBMFYSA-N 0 0 349.406 0.935 10 0 ECAERN O=C1CCC(=O)N1c1ccc2c(c1)oc(=O)n2CN1CCOCC1 ZINC000033884636 202270667 /nfs/dbraw/zinc/27/06/67/202270667.db2.gz DRJXIURRKNYKJK-UHFFFAOYSA-N 0 0 331.328 0.538 10 0 ECAERN Cn1cnc(S(=O)(=O)N2CC[C@H]3OCCN(C)[C@H]3C2)c1Cl ZINC000225451293 201034879 /nfs/dbraw/zinc/03/48/79/201034879.db2.gz JUWHCCOLDHNPHM-VHSXEESVSA-N 0 0 334.829 0.167 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1ccc3c(c1)nnn3C)CC2 ZINC000114865122 201071301 /nfs/dbraw/zinc/07/13/01/201071301.db2.gz IRMNINRLXFXAKA-NSHDSACASA-N 0 0 325.376 0.867 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)CNC(=O)NC1CCCCC1)CC2 ZINC000114866881 201071489 /nfs/dbraw/zinc/07/14/89/201071489.db2.gz SMJBHDWHPFJKKP-CYBMUJFWSA-N 0 0 348.451 0.903 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)c1n[nH]c(=O)c3ccccc31)CC2 ZINC000114866460 201071571 /nfs/dbraw/zinc/07/15/71/201071571.db2.gz ZDHHZYQDXAWFTR-SNVBAGLBSA-N 0 0 338.371 0.822 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NS(=O)(=O)c1c(C)noc1C)CC2 ZINC000114875092 201071582 /nfs/dbraw/zinc/07/15/82/201071582.db2.gz NKBWMHFPBKPERF-JTQLQIEISA-N 0 0 325.394 0.739 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)N[C@H]1CCc3nc(C)nn3C1)CC2 ZINC000114955182 201072592 /nfs/dbraw/zinc/07/25/92/201072592.db2.gz BYEPJKYNNUZNBY-RYUDHWBXSA-N 0 0 344.423 0.369 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)N(CCOC)CCOC)CC2 ZINC000114978321 201072990 /nfs/dbraw/zinc/07/29/90/201072990.db2.gz ZAKJVGQMNDCQOF-GFCCVEGCSA-N 0 0 325.413 0.460 10 0 ECAERN CCC1(CC)NC(=O)N(CC(=O)N2CC[C@H](c3cnn(C)c3)C2)C1=O ZINC000116121448 201075965 /nfs/dbraw/zinc/07/59/65/201075965.db2.gz RKNAQXWOBIIYSL-LBPRGKRZSA-N 0 0 347.419 0.847 10 0 ECAERN C[C@H](CNC(=O)C(=O)Nc1cc(F)cc(F)c1)N1CCOCC1 ZINC000041602885 201094743 /nfs/dbraw/zinc/09/47/43/201094743.db2.gz NLEWATHPUFXNHC-SNVBAGLBSA-N 0 0 327.331 0.740 10 0 ECAERN O=C(NC[C@@H](O)CN1CCOCC1)c1cc(-c2ccc(F)cc2)n[nH]1 ZINC000124491420 201097081 /nfs/dbraw/zinc/09/70/81/201097081.db2.gz NDDDDYPCYHHKEY-CQSZACIVSA-N 0 0 348.378 0.639 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NS(=O)(=O)CC[C@H]1CCCO1)CC2 ZINC000120693325 545752683 /nfs/dbraw/zinc/75/26/83/545752683.db2.gz VOFRZOYCWAWUNQ-NWDGAFQWSA-N 0 0 328.438 0.644 10 0 ECAERN NC(=O)[C@@]1(O)CCCN(C(=O)c2cccnc2Br)C1 ZINC000285525671 201332805 /nfs/dbraw/zinc/33/28/05/201332805.db2.gz NLBQHTGZGAFYNC-GFCCVEGCSA-N 0 0 328.166 0.297 10 0 ECAERN O=C1NC(=O)C(c2cnccn2)=C1c1cn(CCCO)c2ncccc12 ZINC000003950312 201360190 /nfs/dbraw/zinc/36/01/90/201360190.db2.gz ZDEJZKULWCZIHL-UHFFFAOYSA-N 0 0 349.350 0.776 10 0 in-vitro ECAERN CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(N)=O)C(C)C ZINC000028654984 201388553 /nfs/dbraw/zinc/38/85/53/201388553.db2.gz ZFFQYIRICYOHAN-CVEARBPZSA-N 0 0 344.415 0.841 10 0 ECAERN Cc1cccc(C[C@H](CO)NC(=O)NC[C@@H](C)N2CCOCC2)c1 ZINC000191939571 239394051 /nfs/dbraw/zinc/39/40/51/239394051.db2.gz FEBXIBWLDPXKID-NVXWUHKLSA-N 0 0 335.448 0.918 10 0 ECAERN COCCN1CCN(C(=O)C(=O)Nc2ccc(Cl)cn2)C[C@H]1C ZINC000193276956 240087417 /nfs/dbraw/zinc/08/74/17/240087417.db2.gz HRXRRAVZLYWYQU-LLVKDONJSA-N 0 0 340.811 0.853 10 0 ECAERN Cn1c2nc3n(c2c(=O)n(C)c1=O)CCN(CCc1ccccc1)C3 ZINC000021728983 212245691 /nfs/dbraw/zinc/24/56/91/212245691.db2.gz CUMFYHAXMMXANA-UHFFFAOYSA-N 0 0 339.399 0.492 10 0 ECAERN COC(=O)[C@H](O)C(C)(C)NS(=O)(=O)c1c[nH]c2cccc(F)c21 ZINC000239636954 242958642 /nfs/dbraw/zinc/95/86/42/242958642.db2.gz BHTPXMTZCOCYQQ-LBPRGKRZSA-N 0 0 344.364 0.898 10 0 ECAERN COC(=O)c1cc2n(n1)CCCN(C(=O)CCN1CCCCO1)C2 ZINC000065404701 202842973 /nfs/dbraw/zinc/84/29/73/202842973.db2.gz JMZAOPOFFGLULA-UHFFFAOYSA-N 0 0 336.392 0.820 10 0 ECAERN COC(=O)c1cnn2c1nnc1c(=O)n(-c3cccc(O)c3)ccc12 ZINC000072466105 203229168 /nfs/dbraw/zinc/22/91/68/203229168.db2.gz WBDBSAJHNRFTSN-UHFFFAOYSA-N 0 0 337.295 0.921 10 0 ECAERN COC(=O)c1cnn2c1nnc1c(=O)n(-c3ccc(O)cc3)ccc12 ZINC000072466092 203229561 /nfs/dbraw/zinc/22/95/61/203229561.db2.gz JFKLVINFSWYVTR-UHFFFAOYSA-N 0 0 337.295 0.921 10 0 ECAERN O=C(N[C@H]1CCCn2ncnc21)C(=O)N1CCc2c1cccc2F ZINC000185747409 284191086 /nfs/dbraw/zinc/19/10/86/284191086.db2.gz XBZBIFZREBVMRN-LBPRGKRZSA-N 0 0 329.335 0.958 10 0 ECAERN CN1CCO[C@H](CNC(=O)N2CCN(CCc3ccccc3)CC2)C1 ZINC000104800020 204122973 /nfs/dbraw/zinc/12/29/73/204122973.db2.gz OMTKAYPBCLOXIC-GOSISDBHSA-N 0 0 346.475 0.887 10 0 ECAERN CO[C@H]1C[C@H](C(=O)N[C@@H]2CC(C)(C)OC2(C)C)N(S(C)(=O)=O)C1 ZINC000363768779 204100801 /nfs/dbraw/zinc/10/08/01/204100801.db2.gz WNLILVMTQSNUAP-QJPTWQEYSA-N 0 0 348.465 0.498 10 0 ECAERN CCCCCNC(=O)[C@H](C)N1CCN(c2ccc3nncn3n2)CC1 ZINC000105817046 204165239 /nfs/dbraw/zinc/16/52/39/204165239.db2.gz VTLKDPOHSPNHDJ-AWEZNQCLSA-N 0 0 345.451 0.941 10 0 ECAERN CCOc1ccnc(N2CCN(CCCS(C)(=O)=O)CC2)n1 ZINC000105868671 204173345 /nfs/dbraw/zinc/17/33/45/204173345.db2.gz YZZCLPFNWSHRGG-UHFFFAOYSA-N 0 0 328.438 0.432 10 0 ECAERN COc1cccc(CNC(=O)CN2CCO[C@@H](Cn3cccn3)C2)c1 ZINC000105889409 204176097 /nfs/dbraw/zinc/17/60/97/204176097.db2.gz VUXUZCMILDSUNX-QGZVFWFLSA-N 0 0 344.415 0.909 10 0 ECAERN CCOC(=O)CCN1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000105921942 204180892 /nfs/dbraw/zinc/18/08/92/204180892.db2.gz JLGZWHMTQRYARI-INIZCTEOSA-N 0 0 336.432 0.997 10 0 ECAERN O=C(CNC(=O)OCC(F)(F)F)N1CCC[C@H](n2cncn2)C1 ZINC000110728229 204321510 /nfs/dbraw/zinc/32/15/10/204321510.db2.gz HGGXHYBJFSIUOQ-VIFPVBQESA-N 0 0 335.286 0.730 10 0 ECAERN CCNC(=O)NC1(C(=O)N2CCO[C@@H](Cn3cccn3)C2)CCCC1 ZINC000111077355 204335521 /nfs/dbraw/zinc/33/55/21/204335521.db2.gz IFXMHEJLFBMEAQ-CQSZACIVSA-N 0 0 349.435 0.742 10 0 ECAERN CC(=O)NCCCNC(=O)N1CCN([C@H](C)c2nc(C)no2)CC1 ZINC000111823213 204375904 /nfs/dbraw/zinc/37/59/04/204375904.db2.gz BYPBUWOUPGVJKB-LLVKDONJSA-N 0 0 338.412 0.292 10 0 ECAERN O=C(NCCn1c(=O)oc2ccccc21)N[C@H]1CCc2ncnn2C1 ZINC000112749449 204416151 /nfs/dbraw/zinc/41/61/51/204416151.db2.gz HPIRDYLFJGXZJH-NSHDSACASA-N 0 0 342.359 0.500 10 0 ECAERN CCC[C@@H](NC(=O)Cc1ccccc1)C(=O)NC[C@@H]1CN(C)CCO1 ZINC000112195871 204385918 /nfs/dbraw/zinc/38/59/18/204385918.db2.gz MMBHDPGSPFLHCB-IAGOWNOFSA-N 0 0 347.459 0.961 10 0 ECAERN O=C(NC[C@@H](O)CN1CCOCC1)c1cc(-c2cccnc2)on1 ZINC000120410999 204731522 /nfs/dbraw/zinc/73/15/22/204731522.db2.gz QMFSKUJIBMLOAJ-CYBMUJFWSA-N 0 0 332.360 0.160 10 0 ECAERN COC(=O)CNC(=O)CN1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000121120913 204782375 /nfs/dbraw/zinc/78/23/75/204782375.db2.gz ZNVPIXCJPPVNEL-GXFFZTMASA-N 0 0 328.315 0.362 10 0 ECAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)c1cccc(C(N)=O)c1 ZINC000127184014 205088302 /nfs/dbraw/zinc/08/83/02/205088302.db2.gz WHAWEDNQVXYNSW-GFCCVEGCSA-N 0 0 329.360 0.788 10 0 ECAERN Cc1nc(CN2CCCN(C(=O)[C@@H]3CCN(C)C(=O)C3)CC2)no1 ZINC000110945976 220082500 /nfs/dbraw/zinc/08/25/00/220082500.db2.gz LAIJKAOZSNDSAY-CYBMUJFWSA-N 0 0 335.408 0.281 10 0 ECAERN O=C(Nc1cccnc1-n1cccn1)C(=O)N[C@H]1CCCC[C@@H]1CO ZINC000130629484 205249159 /nfs/dbraw/zinc/24/91/59/205249159.db2.gz CUKDBSUPCJYQAC-OLZOCXBDSA-N 0 0 343.387 0.873 10 0 ECAERN CCn1cc(C(=O)C(=O)N2CCC(Nc3cccnn3)CC2)cn1 ZINC000130656469 205249546 /nfs/dbraw/zinc/24/95/46/205249546.db2.gz UNHUITFEBOXYSO-UHFFFAOYSA-N 0 0 328.376 0.979 10 0 ECAERN O=C(NC[C@H](O)CN1CCOCC1)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000132510870 205329248 /nfs/dbraw/zinc/32/92/48/205329248.db2.gz FPNMGGIOCMBXTG-BFHYXJOUSA-N 0 0 340.370 0.878 10 0 ECAERN C[C@@H](CNC(=O)Cn1cc(-c2ccccc2)nn1)N1CCOCC1 ZINC000131872589 205306585 /nfs/dbraw/zinc/30/65/85/205306585.db2.gz NHYMAYQHGBMGSB-AWEZNQCLSA-N 0 0 329.404 0.782 10 0 ECAERN O=C(NC[C@@H](O)CN1CCOCC1)c1cc2c(s1)CCOC2 ZINC000132316847 205320419 /nfs/dbraw/zinc/32/04/19/205320419.db2.gz GKBCXOKSZGZNIL-GFCCVEGCSA-N 0 0 326.418 0.244 10 0 ECAERN O=C(/C=C/c1ccc(Cl)nc1)NC[C@@H](O)CN1CCOCC1 ZINC000133105009 205354953 /nfs/dbraw/zinc/35/49/53/205354953.db2.gz OKNQBVRDNWCMRU-CXLRFSCWSA-N 0 0 325.796 0.558 10 0 ECAERN CCCC[C@@H](NC(N)=O)C(=O)N[C@@H]1CCCN(c2cccnn2)C1 ZINC000135285063 205451601 /nfs/dbraw/zinc/45/16/01/205451601.db2.gz IVNVZBBZVHCHLR-CHWSQXEVSA-N 0 0 334.424 0.789 10 0 ECAERN Cc1ccccc1C(=O)NCC(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111650025 220175045 /nfs/dbraw/zinc/17/50/45/220175045.db2.gz OWKLCELPTZDNEL-OAHLLOKOSA-N 0 0 342.399 0.849 10 0 ECAERN C[C@@H](O)C1CCN(C(=O)C(=O)Nc2ccc3c(c2)oc(=O)n3C)CC1 ZINC000111920894 220224403 /nfs/dbraw/zinc/22/44/03/220224403.db2.gz VFUIGSMCXDNLPH-SNVBAGLBSA-N 0 0 347.371 0.689 10 0 ECAERN CCc1noc([C@@H](C)N2CCN(S(=O)(=O)CCOC)CC2)n1 ZINC000112093316 220242105 /nfs/dbraw/zinc/24/21/05/220242105.db2.gz VRUHMBQNTJPIRR-LLVKDONJSA-N 0 0 332.426 0.287 10 0 ECAERN Cc1ccn(C)c(=O)c1NC(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000155496603 206012286 /nfs/dbraw/zinc/01/22/86/206012286.db2.gz VKWYJXRMXXMGFX-ZIAGYGMSSA-N 0 0 334.420 0.878 10 0 ECAERN CC1=C[C@@]23C(=O)[C@H](C=C(CO)[C@@H](O)[C@]2(O)[C@H]1O)[C@H]1[C@@H](C[C@H]3C)C1(C)C ZINC000100073541 206215557 /nfs/dbraw/zinc/21/55/57/206215557.db2.gz VEBVPUXQAPLADL-AFNMZGTLSA-N 0 0 348.439 0.815 10 0 ECAERN CCCCOCCNC(=O)CN1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000105892774 206459016 /nfs/dbraw/zinc/45/90/16/206459016.db2.gz ZVFUMPWAKFJOBQ-INIZCTEOSA-N 0 0 338.452 0.825 10 0 ECAERN NC(=O)[C@@H]1COCCN1CC(=O)Nc1nc2ccc(F)cc2s1 ZINC000092229873 218127584 /nfs/dbraw/zinc/12/75/84/218127584.db2.gz QULXWKSPXAPTDQ-JTQLQIEISA-N 0 0 338.364 0.560 10 0 ECAERN CCN(C(=O)CN1CCOC[C@@H]1C(N)=O)[C@@H](C)c1ccc(F)cc1 ZINC000092229018 218127741 /nfs/dbraw/zinc/12/77/41/218127741.db2.gz HLCXJNDZQBNVHX-SWLSCSKDSA-N 0 0 337.395 0.921 10 0 ECAERN CC(C)(C)c1ccc(OC[C@@H](O)CN2CCOC[C@@H]2C(N)=O)cc1 ZINC000092229545 218128089 /nfs/dbraw/zinc/12/80/89/218128089.db2.gz PHOUECNYOVPIQB-GOEBONIOSA-N 0 0 336.432 0.910 10 0 ECAERN C[C@H](C(=O)N[C@@H]1CCc2ncnn2C1)n1nnc(-c2ccccc2)n1 ZINC000173373225 206920261 /nfs/dbraw/zinc/92/02/61/206920261.db2.gz GZMXSGZXPZCWHH-DGCLKSJQSA-N 0 0 338.375 0.624 10 0 ECAERN Cn1nc2c(cc1=O)CN(C(=O)[C@@H](Cc1ccccc1)[NH+](C)C)CC2 ZINC000174453890 207020982 /nfs/dbraw/zinc/02/09/82/207020982.db2.gz BLTHDERTDWOPIL-QGZVFWFLSA-N 0 0 340.427 0.838 10 0 ECAERN C[C@@H](NC(N)=O)C(=O)NCC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000174603205 207035844 /nfs/dbraw/zinc/03/58/44/207035844.db2.gz PSXSPTZXLJJLPO-CYBMUJFWSA-N 0 0 346.431 0.641 10 0 ECAERN Cc1cc(N2CCC[C@H](NC(=O)c3ccc(C)[nH]c3=O)C2=O)n(C)n1 ZINC000175004293 207082088 /nfs/dbraw/zinc/08/20/88/207082088.db2.gz NZMNUNNGRVRPSV-ZDUSSCGKSA-N 0 0 343.387 0.651 10 0 ECAERN O=C(c1ccno1)N1CCC[C@]2(CO[C@@H](C(=O)N3CCOCC3)C2)C1 ZINC000096224863 218701466 /nfs/dbraw/zinc/70/14/66/218701466.db2.gz GFSYRVQQDCRIDL-RHSMWYFYSA-N 0 0 349.387 0.545 10 0 ECAERN Cc1cc(N2CCC[C@@H](NC(=O)NC[C@H]3CCCOC3)C2=O)n(C)n1 ZINC000175749480 207156204 /nfs/dbraw/zinc/15/62/04/207156204.db2.gz BQXDGDMMEZNFRF-ZIAGYGMSSA-N 0 0 349.435 0.950 10 0 ECAERN O=C(CNC(=O)c1ccc(F)c(F)c1)N[C@@H]1CCCn2ncnc21 ZINC000175822513 207163135 /nfs/dbraw/zinc/16/31/35/207163135.db2.gz VZKFWNZRDUHYRR-GFCCVEGCSA-N 0 0 335.314 0.937 10 0 ECAERN Cc1cc([C@@](C)(O)CNC(=O)NC[C@@H]2CN(C)CCO2)c(C)o1 ZINC000176433181 207226939 /nfs/dbraw/zinc/22/69/39/207226939.db2.gz WEQNWOPNHARWJE-CJNGLKHVSA-N 0 0 325.409 0.734 10 0 ECAERN CN(C)C(=O)c1cccc(CCNC(=O)NC[C@@H]2CN(C)CCO2)c1 ZINC000176435883 207227881 /nfs/dbraw/zinc/22/78/81/207227881.db2.gz JOEFFFVEDCRUGM-MRXNPFEDSA-N 0 0 348.447 0.561 10 0 ECAERN C[C@H]1CN(C(=O)Nc2ccc(C(N)=O)cc2)C[C@H]1N1CCOCC1 ZINC000177233473 207310158 /nfs/dbraw/zinc/31/01/58/207310158.db2.gz YGCMODYVGISLPN-SWLSCSKDSA-N 0 0 332.404 0.970 10 0 ECAERN NC(=O)c1cccc(NC(=O)C(=O)N2CCN3CCCC[C@@H]3C2)c1 ZINC000177387333 207329788 /nfs/dbraw/zinc/32/97/88/207329788.db2.gz BTFUXMZBDPSLHI-CQSZACIVSA-N 0 0 330.388 0.421 10 0 ECAERN O=C(c1cc[nH]c(=O)c1)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000177543708 207352792 /nfs/dbraw/zinc/35/27/92/207352792.db2.gz BWBZYPIUGADSQV-MRXNPFEDSA-N 0 0 327.384 0.866 10 0 ECAERN O=C(CCN1C(=O)c2ccccc2C1=O)N[C@H]1CCCn2ncnc21 ZINC000177572713 207356774 /nfs/dbraw/zinc/35/67/74/207356774.db2.gz YMUQTLSLMIUBON-ZDUSSCGKSA-N 0 0 339.355 0.916 10 0 ECAERN C[C@@H](O)CN1CCN(C(=O)C(=O)Nc2cc(F)cc(F)c2)C[C@@H]1C ZINC000177604067 207363408 /nfs/dbraw/zinc/36/34/08/207363408.db2.gz FEYHDHAKIWDJQK-WDEREUQCSA-N 0 0 341.358 0.817 10 0 ECAERN Cc1ccncc1NC(=O)C(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000177652762 207371019 /nfs/dbraw/zinc/37/10/19/207371019.db2.gz XBBSVILRVSLLFU-CYBMUJFWSA-N 0 0 329.360 0.453 10 0 ECAERN C[C@@H](NC(=O)C(=O)Nc1cnn(Cc2ccncc2)c1)[C@H]1CCCO1 ZINC000178777652 207532245 /nfs/dbraw/zinc/53/22/45/207532245.db2.gz QBORVTDDLMKFFI-IUODEOHRSA-N 0 0 343.387 0.949 10 0 ECAERN C[C@@H](CC(=O)N[C@H]1CCc2ncnn2C1)NC(=O)c1ccccc1 ZINC000112663097 220368460 /nfs/dbraw/zinc/36/84/60/220368460.db2.gz ZXXBFBBQZYMOND-JSGCOSHPSA-N 0 0 327.388 0.918 10 0 ECAERN Cc1cc(N2CCC[C@H](NC(=O)/C=C/c3ccncn3)C2=O)n(C)n1 ZINC000184329321 291935101 /nfs/dbraw/zinc/93/51/01/291935101.db2.gz VXWDSJIKRAOPDW-GJBLVYBDSA-N 0 0 340.387 0.844 10 0 ECAERN COCCN1CCN(C(=O)CNC(=O)c2ccccc2C)C[C@H]1C ZINC000117425132 221061360 /nfs/dbraw/zinc/06/13/60/221061360.db2.gz STXLRYJQXGWFGO-OAHLLOKOSA-N 0 0 333.432 0.904 10 0 ECAERN CCOCCN1CCN(C(=O)Cn2c3ccccc3[nH]c2=O)C[C@@H]1C ZINC000117279637 221041310 /nfs/dbraw/zinc/04/13/10/221041310.db2.gz XBQCRCLLFIIBLM-AWEZNQCLSA-N 0 0 346.431 0.899 10 0 ECAERN COCCN1CCN(C(=O)C(=O)Nc2ccccc2N(C)C)C[C@@H]1C ZINC000117522578 221074269 /nfs/dbraw/zinc/07/42/69/221074269.db2.gz QGPVMQQBIBYSGS-AWEZNQCLSA-N 0 0 348.447 0.870 10 0 ECAERN CC(=O)N[C@H]1CCCN(C(=O)NCC(=O)N(C)Cc2ccccc2)C1 ZINC000079646848 296624890 /nfs/dbraw/zinc/62/48/90/296624890.db2.gz FBFDWQRJUNIUKV-INIZCTEOSA-N 0 0 346.431 0.955 10 0 ECAERN Cc1nnc(CN2CCN(CC(=O)N[C@@H]3CCC[C@@H](C)C3)CC2)n1C ZINC000105928131 296636064 /nfs/dbraw/zinc/63/60/64/296636064.db2.gz VNKNHKAPFVMOSW-GDBMZVCRSA-N 0 0 348.495 0.936 10 0 ECAERN CCCC[C@H](NC(=O)NCC)C(=O)N1CCN(C[C@H](O)CC)CC1 ZINC000137679568 296681033 /nfs/dbraw/zinc/68/10/33/296681033.db2.gz QGUROXJNHZHJHP-CABCVRRESA-N 0 0 342.484 0.779 10 0 ECAERN CN(C)C(=O)Cn1cc(C(=O)N[C@@H]2CCOc3ccccc32)nn1 ZINC000056970857 164565386 /nfs/dbraw/zinc/56/53/86/164565386.db2.gz XXRWQAOZZMPAGM-GFCCVEGCSA-N 0 0 329.360 0.620 10 0 ECAERN Cc1nnc([C@H]2CN(C(=O)c3cc(-n4cccn4)ccn3)CCO2)[nH]1 ZINC000173529043 164857180 /nfs/dbraw/zinc/85/71/80/164857180.db2.gz YZUCWHCFMANGSQ-CQSZACIVSA-N 0 0 339.359 0.908 10 0 ECAERN C[C@H]1C(=O)NCCCN1C(=O)CNC(=O)N1CCc2ccccc2C1 ZINC000188069749 164994670 /nfs/dbraw/zinc/99/46/70/164994670.db2.gz CNRVDDDZRWAVJN-ZDUSSCGKSA-N 0 0 344.415 0.491 10 0 ECAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCCCOCCc1ccccc1 ZINC000189883483 165017089 /nfs/dbraw/zinc/01/70/89/165017089.db2.gz QVKRJWZTCLMGAC-IAGOWNOFSA-N 0 0 334.416 0.734 10 0 ECAERN COC[C@H](C)n1ccc(NC(=O)C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)n1 ZINC000190095909 165018165 /nfs/dbraw/zinc/01/81/65/165018165.db2.gz AHIRXIUIYNQTSY-MELADBBJSA-N 0 0 349.435 0.724 10 0 ECAERN CCn1cnnc1C1CCN(S(=O)(=O)[C@H]2CCO[C@H]2C)CC1 ZINC000190059986 165018347 /nfs/dbraw/zinc/01/83/47/165018347.db2.gz GESINCIGQAORCT-AAEUAGOBSA-N 0 0 328.438 0.985 10 0 ECAERN CC(=O)NC1CN(C(=O)C[C@H]2c3ccccc3CCN2C(C)=O)C1 ZINC000190499129 165022934 /nfs/dbraw/zinc/02/29/34/165022934.db2.gz PGFVYAFCANTTKJ-KRWDZBQOSA-N 0 0 329.400 0.869 10 0 ECAERN C[C@@H]1C(=O)NCCCN1S(=O)(=O)c1ccc2c(c1)oc(=O)n2C ZINC000190982832 165026907 /nfs/dbraw/zinc/02/69/07/165026907.db2.gz LGNBEMDNSVTEED-SECBINFHSA-N 0 0 339.373 0.031 10 0 ECAERN C[C@H]1C(=O)NCCCN1C(=O)NCc1cn(C)nc1C(F)(F)F ZINC000191508543 165033289 /nfs/dbraw/zinc/03/32/89/165033289.db2.gz ACGXHJFFQBMXAY-QMMMGPOBSA-N 0 0 333.314 0.859 10 0 ECAERN Cc1c(NC(=O)C(=O)N2CCCNC(=O)[C@H]2C)cnn1C1CCCC1 ZINC000194402230 165066502 /nfs/dbraw/zinc/06/65/02/165066502.db2.gz BGMHFJCFGURJFO-GFCCVEGCSA-N 0 0 347.419 0.982 10 0 ECAERN CN1CCO[C@@H](CNC(=O)CCn2cnc3ccccc3c2=O)C1 ZINC000194614022 165069691 /nfs/dbraw/zinc/06/96/91/165069691.db2.gz KTESXWBQJOONKY-ZDUSSCGKSA-N 0 0 330.388 0.233 10 0 ECAERN O=C([C@@H]1CNC(=O)C1)N1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000194828756 165071114 /nfs/dbraw/zinc/07/11/14/165071114.db2.gz GXCJHIFKQYQJHL-HNNXBMFYSA-N 0 0 341.411 0.950 10 0 ECAERN CC(C)n1nnnc1CS(=O)(=O)CC(=O)N1CCc2ccccc21 ZINC000195427781 165081434 /nfs/dbraw/zinc/08/14/34/165081434.db2.gz GEZZYWHUWZPQDM-UHFFFAOYSA-N 0 0 349.416 0.758 10 0 ECAERN CC(C)n1nnnc1CS(=O)(=O)CC(=O)N[C@@H]1CCCC[C@H]1C ZINC000195427769 165081563 /nfs/dbraw/zinc/08/15/63/165081563.db2.gz OZEGKBHSUPXUFZ-VXGBXAGGSA-N 0 0 343.453 0.864 10 0 ECAERN CC(C)n1nnnc1CS(=O)(=O)[C@@H](C)C(=O)N1CCCCCC1 ZINC000195429436 165081947 /nfs/dbraw/zinc/08/19/47/165081947.db2.gz MARBLUKGQNKDAB-LBPRGKRZSA-N 0 0 343.453 0.960 10 0 ECAERN CCCN(CCC)C(=O)CS(=O)(=O)Cc1nnnn1C(C)C ZINC000195427509 165081967 /nfs/dbraw/zinc/08/19/67/165081967.db2.gz PBMPDOQCSUQCIT-UHFFFAOYSA-N 0 0 331.442 0.817 10 0 ECAERN C[C@@H](Oc1cccc(CO)c1)C(=O)N1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000245727627 165114431 /nfs/dbraw/zinc/11/44/31/165114431.db2.gz BSLQSGDEYCRMCN-QLFBSQMISA-N 0 0 336.432 0.860 10 0 ECAERN CC[C@](C)(O)CNC(=O)[C@@H]1CCC[C@@H]1C(=O)NC[C@@](C)(O)CC ZINC000245759412 165116812 /nfs/dbraw/zinc/11/68/12/165116812.db2.gz IDSIIMQRBSKWOS-RMHZUWNSSA-N 0 0 328.453 0.957 10 0 ECAERN CC1(C)CN(CCNc2cc(N3CCC[C@H]3CO)ncn2)CCO1 ZINC000247091317 165152319 /nfs/dbraw/zinc/15/23/19/165152319.db2.gz HPXUVBADERXXIL-AWEZNQCLSA-N 0 0 335.452 0.960 10 0 ECAERN CCN(C(=O)[C@H](C)N1CCN2CCC[C@H]2C1)[C@@H]1CCS(=O)(=O)C1 ZINC000247069922 165153721 /nfs/dbraw/zinc/15/37/21/165153721.db2.gz GMBJYTFRCZLKSB-SOUVJXGZSA-N 0 0 343.493 0.191 10 0 ECAERN CCCC[C@H](NC(N)=O)C(=O)N1CCN(CCOCC)[C@@H](C)C1 ZINC000247228270 165156315 /nfs/dbraw/zinc/15/63/15/165156315.db2.gz WDRRMHSYQOCXDE-KBPBESRZSA-N 0 0 328.457 0.783 10 0 ECAERN Cc1nc(CN2CCCN(S(=O)(=O)[C@H]3CCO[C@H]3C)CC2)no1 ZINC000248954464 165191075 /nfs/dbraw/zinc/19/10/75/165191075.db2.gz PZSHFAZHXJLWHC-AAEUAGOBSA-N 0 0 344.437 0.393 10 0 ECAERN C[N@@H+](CC(=O)[O-])C[C@H]1CN(c2cc(N3CCCCC3)ncn2)CCO1 ZINC000262103906 165291068 /nfs/dbraw/zinc/29/10/68/165291068.db2.gz JFBQDGPJBLAHMP-AWEZNQCLSA-N 0 0 349.435 0.689 10 0 ECAERN COCC[NH2+]CCNC(=O)c1cc(Cl)ccc1[N-]S(C)(=O)=O ZINC000262179769 165305014 /nfs/dbraw/zinc/30/50/14/165305014.db2.gz WMHPNBKJHDTBKM-UHFFFAOYSA-N 0 0 349.840 0.677 10 0 ECAERN COc1cc(NC(=O)CN(C)Cc2noc(CN)n2)cc(OC)c1 ZINC000262233934 165314470 /nfs/dbraw/zinc/31/44/70/165314470.db2.gz OEOWKIRKOQTOPX-UHFFFAOYSA-N 0 0 335.364 0.616 10 0 ECAERN Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)[C@H]3NCCO[C@@H]3C)C2)nc1 ZINC000262351534 165334556 /nfs/dbraw/zinc/33/45/56/165334556.db2.gz UMKFAOQGBRUOOL-FMKPAKJESA-N 0 0 346.431 0.944 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)CNC(=O)CCC(C)C)C1 ZINC000262828613 165393069 /nfs/dbraw/zinc/39/30/69/165393069.db2.gz QXMCFMOOZBSONX-UHFFFAOYSA-N 0 0 327.425 0.593 10 0 ECAERN CCCc1ncc(C(=O)N2CCO[C@H](C[N@H+](C)CC(=O)[O-])C2)s1 ZINC000262873127 165397222 /nfs/dbraw/zinc/39/72/22/165397222.db2.gz DFGPUCRXEAUZNN-LLVKDONJSA-N 0 0 341.433 0.953 10 0 ECAERN NC(=O)c1ccc(N2CCN(Cc3ccc(Cl)cn3)CC2)nn1 ZINC000302113268 296895556 /nfs/dbraw/zinc/89/55/56/296895556.db2.gz BIHHUOIKYAZXGD-UHFFFAOYSA-N 0 0 332.795 0.946 10 0 ECAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NC[C@@H](C)Cn1cccn1 ZINC000123424308 222275364 /nfs/dbraw/zinc/27/53/64/222275364.db2.gz MLBNULLULDPFJG-ZIAGYGMSSA-N 0 0 342.465 0.840 10 0 ECAERN CCCN(C)c1ccc(C(=O)NC[C@@H](O)CN2CCOCC2)cc1 ZINC000128101747 263146305 /nfs/dbraw/zinc/14/63/05/263146305.db2.gz OPBYBBXDNDDCJQ-QGZVFWFLSA-N 0 0 335.448 0.956 10 0 ECAERN C[C@@H]1CN(C(=O)CN2CCC[C@H]([N@H+](C)CC(=O)[O-])CC2)C[C@@H](C)O1 ZINC000262421389 263177053 /nfs/dbraw/zinc/17/70/53/263177053.db2.gz CROFCUSKMDCMTC-KFWWJZLASA-N 0 0 341.452 0.493 10 0 ECAERN CCC(=O)N1CSC[C@H]1C(=O)NC1CC([N@H+](CC)CC(=O)[O-])C1 ZINC000262697639 263177559 /nfs/dbraw/zinc/17/75/59/263177559.db2.gz GVZYOMSCLFWDAV-MCIGGMRASA-N 0 0 343.449 0.352 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)[C@@H]2CCCN(C(C)=O)C2)C1 ZINC000262695309 263177593 /nfs/dbraw/zinc/17/75/93/263177593.db2.gz GBOQYZYPRRQQLB-IYXRBSQSSA-N 0 0 325.409 0.299 10 0 ECAERN COc1ccccc1-n1nccc1CN1C[C@@H](OC)C[C@H]1C(N)=O ZINC000284635474 264236231 /nfs/dbraw/zinc/23/62/31/264236231.db2.gz TZKBVZKYNJKYPT-ZFWWWQNUSA-N 0 0 330.388 0.956 10 0 ECAERN Cn1cnc(S(=O)(=O)N2CCC[C@H]3C(=O)N(C)C[C@H]32)c1Cl ZINC000285148571 264284090 /nfs/dbraw/zinc/28/40/90/264284090.db2.gz SNUMHEGGLHXODE-RKDXNWHRSA-N 0 0 332.813 0.315 10 0 ECAERN CC(=O)NCCN(C(=O)[C@@H](C)[N@H+](C)Cc1ccccc1)[C@H](C)C(=O)[O-] ZINC000262235589 278105458 /nfs/dbraw/zinc/10/54/58/278105458.db2.gz NVDILSVYQDQGNI-ZIAGYGMSSA-N 0 0 349.431 0.945 10 0 ECAERN CC(C)NC(=O)N1CCC[C@H]1C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000131693187 279582369 /nfs/dbraw/zinc/58/23/69/279582369.db2.gz MSKKAFVADCHYTM-CABCVRRESA-N 0 0 338.452 0.502 10 0 ECAERN NC(=O)[C@H]1COCCN1C(=O)c1cn(-c2ccccc2Cl)nn1 ZINC000180275221 279592127 /nfs/dbraw/zinc/59/21/27/279592127.db2.gz GYAVEABDCWCTDA-GFCCVEGCSA-N 0 0 335.751 0.247 10 0 ECAERN CCc1noc(C)c1NC(=O)C(=O)N1CCN(C[C@@H](O)CC)CC1 ZINC000189455339 437602533 /nfs/dbraw/zinc/60/25/33/437602533.db2.gz BVRZYDKFOIYTLW-LBPRGKRZSA-N 0 0 338.408 0.399 10 0 ECAERN O=C(c1ccc(Br)cc1)N1CC[C@]2(C1)NC(=O)NC2=O ZINC000083856337 280180157 /nfs/dbraw/zinc/18/01/57/280180157.db2.gz LYEMEYHBUXRUBR-CYBMUJFWSA-N 0 0 338.161 0.873 10 0 ECAERN CN1CCN(C(=O)C2CCN(CC(N)=O)CC2)[C@H](c2ccccc2)C1 ZINC000091965290 290009535 /nfs/dbraw/zinc/00/95/35/290009535.db2.gz AHZCMTVUJQXOLJ-KRWDZBQOSA-N 0 0 344.459 0.699 10 0 ECAERN NS(=O)(=O)[C@@H]1C(I)=NC=C[C@@H]1OC1CC1 ZINC000095734677 295285852 /nfs/dbraw/zinc/28/58/52/295285852.db2.gz BYNVUGOLRZHASP-BQBZGAKWSA-N 0 0 342.158 0.552 10 0 ECAERN C[C@H]1COCCN1C(=O)[C@H]1CC[C@H](C(=O)N2CCOC[C@@H]2C)O1 ZINC000333069357 297106021 /nfs/dbraw/zinc/10/60/21/297106021.db2.gz JSQADTZPOWSIKA-IGQOVBAYSA-N 0 0 326.393 0.029 10 0 ECAERN O=C(CSc1nnnn1CC(F)(F)F)N1CC(O)(C2CC2)C1 ZINC000333114152 297111023 /nfs/dbraw/zinc/11/10/23/297111023.db2.gz GANWEWJFMIQDET-UHFFFAOYSA-N 0 0 337.327 0.311 10 0 ECAERN NS(=O)(=O)[C@@H]1CCN(C(=O)NC2CCC3(CCOCC3)CC2)C1 ZINC000333214173 297118593 /nfs/dbraw/zinc/11/85/93/297118593.db2.gz QIYZBFLWXJBWOI-CYBMUJFWSA-N 0 0 345.465 0.798 10 0 ECAERN NC(=O)CN1CCc2ccc(NC(=O)N3CCO[C@@H](CO)C3)cc2C1 ZINC000333414536 297132207 /nfs/dbraw/zinc/13/22/07/297132207.db2.gz HNQUTBRMTXSUGP-OAHLLOKOSA-N 0 0 348.403 0.805 10 0 ECAERN CC(C)[C@@H]1N(C(=O)NCC(=O)N2CCOCC2)C[C@]12CCCO2 ZINC000334011909 297158685 /nfs/dbraw/zinc/15/86/85/297158685.db2.gz VUZRKOLOQMIMJW-GOEBONIOSA-N 0 0 325.409 0.444 10 0 ECAERN CO[C@H]1C[C@@H](CO)N(C(=O)c2cn(Cc3cccc(F)c3)nn2)C1 ZINC000345263901 298136932 /nfs/dbraw/zinc/13/69/32/298136932.db2.gz RPXOQLNDFYCIRV-KBPBESRZSA-N 0 0 334.351 0.687 10 0 ECAERN CO[C@H]1C[C@H](C(=O)N2CCO[C@H](C(C)(C)C)C2)N(S(C)(=O)=O)C1 ZINC000366171267 300524622 /nfs/dbraw/zinc/52/46/22/300524622.db2.gz NCJJODFRKAIYLM-XQQFMLRXSA-N 0 0 348.465 0.309 10 0 ECAERN CC(=O)N1CCOC[C@H]1C(=O)NCc1ccccc1Cn1cncn1 ZINC000367103597 300592323 /nfs/dbraw/zinc/59/23/23/300592323.db2.gz PGOYYSGSXDOLNU-INIZCTEOSA-N 0 0 343.387 0.190 10 0 ECAERN COc1cccc(C(=O)N[C@@]2(C(F)(F)F)NC(=O)N(C)C2=O)c1 ZINC000003622966 435977250 /nfs/dbraw/zinc/97/72/50/435977250.db2.gz CANUXSDVWJCKDO-GFCCVEGCSA-N 0 0 331.250 0.865 10 0 ECAERN Nc1cc2c(nn1)CCN(C(=O)Cn1c3ccccc3oc1=O)C2 ZINC000072279446 436040580 /nfs/dbraw/zinc/04/05/80/436040580.db2.gz WTZACLXXJXAFSF-UHFFFAOYSA-N 0 0 325.328 0.552 10 0 ECAERN COc1ccc(CNC(=O)[C@H](Cc2ccccc2)NC(N)=O)cn1 ZINC000010991123 436043449 /nfs/dbraw/zinc/04/34/49/436043449.db2.gz XUZAVQGBUJLLJA-AWEZNQCLSA-N 0 0 328.372 0.986 10 0 ECAERN O=S(=O)(c1ccc2c(c1)OCCCO2)N1C[C@@H](F)C[C@H]1CO ZINC000372424363 301000440 /nfs/dbraw/zinc/00/04/40/301000440.db2.gz DCRWCRVDIYKJHP-QWRGUYRKSA-N 0 0 331.365 0.941 10 0 ECAERN COC(=O)CNC(=O)c1cc(I)ccc1N ZINC000039953836 436262516 /nfs/dbraw/zinc/26/25/16/436262516.db2.gz YQDSJTWUQDEMON-UHFFFAOYSA-N 0 0 334.113 0.776 10 0 ECAERN O=CN1CCN(Cc2ccc(CN3CCN(C=O)CC3)cc2)CC1 ZINC000038928353 436263332 /nfs/dbraw/zinc/26/33/32/436263332.db2.gz SKSIPYOKPXHGAY-UHFFFAOYSA-N 0 0 330.432 0.235 10 0 ECAERN Cn1ncnc1CNc1ccc(S(=O)(=O)N2CCCCC2)cn1 ZINC000078677578 436276035 /nfs/dbraw/zinc/27/60/35/436276035.db2.gz PFAQXQWBZLVBSX-UHFFFAOYSA-N 0 0 336.421 0.997 10 0 ECAERN COCCn1nc(C)c(CNc2ncccc2S(N)(=O)=O)c1C ZINC000078674457 436276616 /nfs/dbraw/zinc/27/66/16/436276616.db2.gz HIUGXMMCRGCOFJ-UHFFFAOYSA-N 0 0 339.421 0.801 10 0 ECAERN COc1ccccc1C(=O)NCC(=O)N[C@H]1CCCn2nc(C)nc21 ZINC000083675493 436372606 /nfs/dbraw/zinc/37/26/06/436372606.db2.gz UWQPMSQYNZZTNB-ZDUSSCGKSA-N 0 0 343.387 0.976 10 0 ECAERN CC[C@@H](C)NC(=O)CN1CCN(C[C@@H](O)COC(C)(C)C)CC1 ZINC000046054407 436384068 /nfs/dbraw/zinc/38/40/68/436384068.db2.gz YETVLVJXTHPHEI-HUUCEWRRSA-N 0 0 329.485 0.695 10 0 ECAERN O=C(Cn1cc(C(F)(F)F)ccc1=O)N[C@@H]1CCCCNC1=O ZINC000044934171 436354389 /nfs/dbraw/zinc/35/43/89/436354389.db2.gz QACCJFADWKTJBV-SNVBAGLBSA-N 0 0 331.294 0.652 10 0 ECAERN CC(C)C(=O)N1CCC(NC(=O)NC[C@@H](C)N2CCOCC2)CC1 ZINC000048790597 436459645 /nfs/dbraw/zinc/45/96/45/436459645.db2.gz ZTYZLESTZBXJSR-CQSZACIVSA-N 0 0 340.468 0.653 10 0 ECAERN NC(=O)[C@H]1COCCN1C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000092231247 436468942 /nfs/dbraw/zinc/46/89/42/436468942.db2.gz KZVJCPMIMRSZQT-CMPLNLGQSA-N 0 0 349.214 0.919 10 0 ECAERN CCOC(=O)C1=C(C(=O)OCC)NN(C(=O)OC)[C@@H](OCC)C1 ZINC000096034447 436504874 /nfs/dbraw/zinc/50/48/74/436504874.db2.gz LCUOYGGIGVEILI-UWVGGRQHSA-N 0 0 330.337 0.920 10 0 ECAERN CCCC(=O)N[C@@H]1CCCN(CC(=O)N(C)Cc2cnn(C)c2)C1 ZINC000101563522 436549105 /nfs/dbraw/zinc/54/91/05/436549105.db2.gz GTKVCLZVGGOUHA-OAHLLOKOSA-N 0 0 335.452 0.759 10 0 ECAERN CN1CCO[C@H](CNC(=O)NCCNC(=O)CC2CCCCC2)C1 ZINC000104798148 436563002 /nfs/dbraw/zinc/56/30/02/436563002.db2.gz OAYQEKHCNUDSEB-OAHLLOKOSA-N 0 0 340.468 0.703 10 0 ECAERN CN1CCO[C@@H](CNC(=O)NCCC(=O)N2CCCCCC2)C1 ZINC000104794095 436563865 /nfs/dbraw/zinc/56/38/65/436563865.db2.gz FHWXIEBUASBFEY-AWEZNQCLSA-N 0 0 326.441 0.409 10 0 ECAERN O[C@H](COc1ccccc1)CN1CCN(CCn2cccn2)CC1 ZINC000105819125 436580429 /nfs/dbraw/zinc/58/04/29/436580429.db2.gz FKDIDFLVBNPYNO-KRWDZBQOSA-N 0 0 330.432 0.941 10 0 ECAERN C[C@H](C(=O)NC[C@H]1CCCO1)N1CCCN(c2cccnn2)CC1 ZINC000105909157 436586845 /nfs/dbraw/zinc/58/68/45/436586845.db2.gz ZREDIBDVMVWNIN-HUUCEWRRSA-N 0 0 333.436 0.672 10 0 ECAERN Cc1cnn(C[C@@H]2CN([C@@H](C)c3nc(N)nc(N(C)C)n3)CCO2)c1 ZINC000106196707 436590070 /nfs/dbraw/zinc/59/00/70/436590070.db2.gz BRQMABRLVIFXGS-STQMWFEESA-N 0 0 346.439 0.487 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)CCNC(=O)c2ccsc2)CC1 ZINC000106392724 436592856 /nfs/dbraw/zinc/59/28/56/436592856.db2.gz KIRNAIQVEDPMBP-AWEZNQCLSA-N 0 0 339.461 0.783 10 0 ECAERN CCCCC(=O)N1CSC[C@H]1C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000112646654 436633455 /nfs/dbraw/zinc/63/34/55/436633455.db2.gz GKNHEPWTGWISRJ-NEPJUHHUSA-N 0 0 337.449 0.801 10 0 ECAERN C[C@@H](NC(=O)N[C@H]1CCc2ncnn2C1)C(=O)Nc1ccccc1 ZINC000112750665 436634121 /nfs/dbraw/zinc/63/41/21/436634121.db2.gz BKNCWBLHSVPPBS-YPMHNXCESA-N 0 0 328.376 0.919 10 0 ECAERN O=S(=O)(N[C@@H]1CCc2ncnn2C1)c1cc(F)c(F)cc1F ZINC000113298732 436637085 /nfs/dbraw/zinc/63/70/85/436637085.db2.gz XGDHROUJHLUXTF-SSDOTTSWSA-N 0 0 332.307 0.989 10 0 ECAERN O=C(CCNC(=O)N[C@@H]1CCc2ncnn2C1)Nc1ccccc1 ZINC000113629397 436638645 /nfs/dbraw/zinc/63/86/45/436638645.db2.gz SYZOTNOBVHEJPE-CYBMUJFWSA-N 0 0 328.376 0.921 10 0 ECAERN Cc1nn(C)c(C)c1CN1CCN(C(=O)[C@H]2CCN(C)C(=O)C2)CC1 ZINC000115388721 436647091 /nfs/dbraw/zinc/64/70/91/436647091.db2.gz OUTWGTRXVFKJDJ-HNNXBMFYSA-N 0 0 347.463 0.550 10 0 ECAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)CN3CSCC3=O)C2)n1 ZINC000116777660 436650926 /nfs/dbraw/zinc/65/09/26/436650926.db2.gz KUPYCFSRFPGTPM-CYBMUJFWSA-N 0 0 337.449 0.666 10 0 ECAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)C3=NN(C)C(=O)CC3)C2)n1 ZINC000116781238 436651099 /nfs/dbraw/zinc/65/10/99/436651099.db2.gz GCDJKUBNZZNYBG-CYBMUJFWSA-N 0 0 332.408 0.742 10 0 ECAERN CCc1nccn1[C@H]1CCCN(C(=O)C2=NN(CCO)C(=O)CC2)C1 ZINC000136958197 436653310 /nfs/dbraw/zinc/65/33/10/436653310.db2.gz PGCQNXFSFNZXIP-ZDUSSCGKSA-N 0 0 347.419 0.580 10 0 ECAERN Cc1noc(C)c1CNC(C)(C)c1nc2c(c(C(N)=O)n1)OCCO2 ZINC000065293239 436653707 /nfs/dbraw/zinc/65/37/07/436653707.db2.gz MOVYGLDDPJULTF-UHFFFAOYSA-N 0 0 347.375 0.976 10 0 ECAERN CC(=O)NCCCNC(=O)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000115799788 436648700 /nfs/dbraw/zinc/64/87/00/436648700.db2.gz YZBYRNFRYQMDGD-UHFFFAOYSA-N 0 0 336.440 0.164 10 0 ECAERN Cc1cnn(CCNC(=O)c2nc(S(C)(=O)=O)n3ccccc23)c1 ZINC000117812837 436657398 /nfs/dbraw/zinc/65/73/98/436657398.db2.gz UGRRBNKUCWKKSP-UHFFFAOYSA-N 0 0 347.400 0.673 10 0 ECAERN Cc1ccc(C(N)=O)cc1NC(=O)C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000150772997 436689215 /nfs/dbraw/zinc/68/92/15/436689215.db2.gz HGBMXFONYPFBPZ-SWLSCSKDSA-N 0 0 346.431 0.877 10 0 ECAERN Cc1cc(O)cc(=O)n1CC(=O)N1CCO[C@H](c2cnn(C)c2)C1 ZINC000150900322 436692678 /nfs/dbraw/zinc/69/26/78/436692678.db2.gz GPKJCSAMWFKITI-AWEZNQCLSA-N 0 0 332.360 0.196 10 0 ECAERN C[C@H](Oc1cccc(CO)c1)C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000120947773 436703853 /nfs/dbraw/zinc/70/38/53/436703853.db2.gz OCWZOPASBOBCHL-GOEBONIOSA-N 0 0 334.416 0.879 10 0 ECAERN CN1C(=O)CO[C@@H](C(=O)NCC2(CO)CCC2)[C@@H]1c1ccccc1 ZINC000223251802 436704043 /nfs/dbraw/zinc/70/40/43/436704043.db2.gz PQILCJCZYGLDMT-JKSUJKDBSA-N 0 0 332.400 0.864 10 0 ECAERN Cc1nc(C)n(-c2ccccc2NC(=O)C(=O)N2CCC[C@H]2CO)n1 ZINC000121002214 436705294 /nfs/dbraw/zinc/70/52/94/436705294.db2.gz ASIPOQNRCYLLPH-ZDUSSCGKSA-N 0 0 343.387 0.806 10 0 ECAERN NC(=O)c1ccc2nc(-n3ccnc3)nc(N3CCOCC3)c2n1 ZINC000139092799 436662368 /nfs/dbraw/zinc/66/23/68/436662368.db2.gz IMXPZEFFOPEWCV-UHFFFAOYSA-N 0 0 325.332 0.146 10 0 ECAERN CC[N@@H+]1CCC[C@H](NC(=O)Nc2ccc(S(N)(=O)=O)cc2)C1 ZINC000194310561 436663310 /nfs/dbraw/zinc/66/33/10/436663310.db2.gz GXDCGWFPUYFMHB-LBPRGKRZSA-N 0 0 326.422 0.940 10 0 ECAERN Cc1cc(N2CCC[C@H](NC(=O)C3CCC(O)CC3)C2=O)n(C)n1 ZINC000194365883 436664487 /nfs/dbraw/zinc/66/44/87/436664487.db2.gz WOVWADGEPAOXAJ-RUXDESIVSA-N 0 0 334.420 0.891 10 0 ECAERN COc1ccccc1CCNC(=O)CN1CCC[C@@H]1C(=O)N(C)C ZINC000139572016 436666325 /nfs/dbraw/zinc/66/63/25/436666325.db2.gz OSQCUKNIWGOCGO-OAHLLOKOSA-N 0 0 333.432 0.907 10 0 ECAERN O=C(NC[C@H](O)COc1cccc(C(F)(F)F)c1)[C@H]1CNC(=O)C1 ZINC000195093406 436678451 /nfs/dbraw/zinc/67/84/51/436678451.db2.gz OVUHUAOKVNWDBT-KOLCDFICSA-N 0 0 346.305 0.697 10 0 ECAERN CCN1CCN(Cc2cc(C(=O)N[C@H](CO)C(C)(C)C)no2)CC1 ZINC000067871864 436728041 /nfs/dbraw/zinc/72/80/41/436728041.db2.gz IQOBRPBCUBVVOG-OAHLLOKOSA-N 0 0 338.452 0.949 10 0 ECAERN O=C(Cc1ccc(-n2cccn2)cc1)NC[C@@H](O)CN1CCOCC1 ZINC000122567229 436734951 /nfs/dbraw/zinc/73/49/51/436734951.db2.gz QWEDCIIUQIFIQQ-QGZVFWFLSA-N 0 0 344.415 0.224 10 0 ECAERN O=C(CNC(=O)c1cccnc1)N1CCO[C@@H](c2nccs2)C1 ZINC000123580023 436742829 /nfs/dbraw/zinc/74/28/29/436742829.db2.gz BGMKUXOONUGOKC-GFCCVEGCSA-N 0 0 332.385 0.868 10 0 ECAERN CCn1cc(C2CCN(C(=O)CN(C)S(C)(=O)=O)CC2)cn1 ZINC000123576010 436743296 /nfs/dbraw/zinc/74/32/96/436743296.db2.gz CISQFYTXAKFGCJ-UHFFFAOYSA-N 0 0 328.438 0.500 10 0 ECAERN CN1CC(=O)N(CCCC(=O)N2CCC(c3ccnn3C)CC2)C1=O ZINC000124258167 436748131 /nfs/dbraw/zinc/74/81/31/436748131.db2.gz BDYDISNXHOUONY-UHFFFAOYSA-N 0 0 347.419 0.800 10 0 ECAERN CC[C@@H]1CN(C(=O)C(=O)Nc2ccc(C)nc2)CCN1C[C@H](C)O ZINC000245693221 436766074 /nfs/dbraw/zinc/76/60/74/436766074.db2.gz QGJIJHQHXNYTTM-DZGCQCFKSA-N 0 0 334.420 0.632 10 0 ECAERN CNC(=O)[C@@H]1CCCN1C(=O)NC1CCN(c2ccccn2)CC1 ZINC000156069821 436809645 /nfs/dbraw/zinc/80/96/45/436809645.db2.gz UVZOYOJYKKLEEV-AWEZNQCLSA-N 0 0 331.420 0.970 10 0 ECAERN C[C@H](CCOc1ccccc1)C(=O)NC[C@@H](O)CN1CCOCC1 ZINC000128121755 436813053 /nfs/dbraw/zinc/81/30/53/436813053.db2.gz GTTQIRLSYSASEO-HZPDHXFCSA-N 0 0 336.432 0.901 10 0 ECAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)CNC(=O)c1cccnc1 ZINC000125595435 436772734 /nfs/dbraw/zinc/77/27/34/436772734.db2.gz ACZSQYDNTIXOTP-GFCCVEGCSA-N 0 0 328.376 0.617 10 0 ECAERN CNc1cc(N2CCC[C@@H]2CNC(=O)c2cc(OC)no2)ncn1 ZINC000125899426 436778182 /nfs/dbraw/zinc/77/81/82/436778182.db2.gz AEHWPUGXTPVWSF-SNVBAGLBSA-N 0 0 332.364 0.914 10 0 ECAERN CCCn1nccc1NC(=O)C(=O)N[C@H]1CCc2nc(CC)nn2C1 ZINC000154550757 436781428 /nfs/dbraw/zinc/78/14/28/436781428.db2.gz KBMYORRIJGOMML-NSHDSACASA-N 0 0 345.407 0.517 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)Nc1cnc(N(C)C)nc1)CC2 ZINC000154566658 436781497 /nfs/dbraw/zinc/78/14/97/436781497.db2.gz FXHKQJVOJRMPRN-JTQLQIEISA-N 0 0 330.396 0.833 10 0 ECAERN CC(C)(C)[C@H](NC(=O)[C@@H]1CNC(=O)C1)c1nc(-c2nc[nH]n2)no1 ZINC000154649286 436782777 /nfs/dbraw/zinc/78/27/77/436782777.db2.gz HLSKRPNERXCFPS-IONNQARKSA-N 0 0 333.352 0.194 10 0 ECAERN C[C@H](O)CN1CCN(C(=O)C(=O)Nc2cc(F)cc(F)c2)C[C@@H]1C ZINC000246892085 436787753 /nfs/dbraw/zinc/78/77/53/436787753.db2.gz FEYHDHAKIWDJQK-QWRGUYRKSA-N 0 0 341.358 0.817 10 0 ECAERN C[C@H](CN1CCOCC1)NC(=O)c1cccc(C(=O)N2CCCC2)n1 ZINC000155085535 436789687 /nfs/dbraw/zinc/78/96/87/436789687.db2.gz YWMYAMXCEAMROF-CQSZACIVSA-N 0 0 346.431 0.768 10 0 ECAERN C[C@@H]1CN(C[C@@H](O)COCc2ccccc2)CCS(=O)(=O)C1 ZINC000253350237 436840055 /nfs/dbraw/zinc/84/00/55/436840055.db2.gz CEDJPAJOGARLML-GDBMZVCRSA-N 0 0 327.446 0.931 10 0 ECAERN CCNC(=O)C(C)(C)CNC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000130969374 436844919 /nfs/dbraw/zinc/84/49/19/436844919.db2.gz JCJBGGSXFPVTDE-CYBMUJFWSA-N 0 0 326.441 0.265 10 0 ECAERN O=C(NCCCN1C(=O)CCC1=O)N1CCC(c2cc[nH]n2)CC1 ZINC000159244171 436855298 /nfs/dbraw/zinc/85/52/98/436855298.db2.gz BZXDSQFPZMKUMV-UHFFFAOYSA-N 0 0 333.392 0.838 10 0 ECAERN Cn1cncc1C(=O)N1CCC(N2CC(F)(F)C[C@H]2CO)CC1 ZINC000257187415 436858047 /nfs/dbraw/zinc/85/80/47/436858047.db2.gz BACSFPBZFZQHNP-LBPRGKRZSA-N 0 0 328.363 0.727 10 0 ECAERN CN1CCO[C@@H](CNC(=O)N2CCC(N3CCCCC3=O)CC2)C1 ZINC000132420818 436864219 /nfs/dbraw/zinc/86/42/19/436864219.db2.gz DVRJEVLCYVFHAX-HNNXBMFYSA-N 0 0 338.452 0.504 10 0 ECAERN C[C@@H]1CN(C(=O)CCCc2nc(C(C)(C)C)no2)C[C@@H](C(N)=O)O1 ZINC000157372818 436827729 /nfs/dbraw/zinc/82/77/29/436827729.db2.gz PFRFSZJCILIQAV-MNOVXSKESA-N 0 0 338.408 0.791 10 0 ECAERN CC(C)n1nnnc1CS(=O)(=O)[C@H](C)C(=O)N1CCCCC1 ZINC000157560688 436828925 /nfs/dbraw/zinc/82/89/25/436828925.db2.gz LTUKGHGXCKMJRZ-LLVKDONJSA-N 0 0 329.426 0.570 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)Cn2cc(-c3ccccc3)nn2)CC1 ZINC000135472225 436916775 /nfs/dbraw/zinc/91/67/75/436916775.db2.gz VNLNVWXNWIJJCV-INIZCTEOSA-N 0 0 343.431 0.860 10 0 ECAERN COC(=O)C[C@H](C)C(=O)N1CCN(Cc2c(C)nn(C)c2C)CC1 ZINC000133804889 436885581 /nfs/dbraw/zinc/88/55/81/436885581.db2.gz BAKNLODSASONDV-LBPRGKRZSA-N 0 0 336.436 0.880 10 0 ECAERN Cc1nccn1-c1ccc(CNC(=O)N[C@H](C(N)=O)C(C)C)cn1 ZINC000134895843 436905734 /nfs/dbraw/zinc/90/57/34/436905734.db2.gz FMKMPISEQRPSIZ-AWEZNQCLSA-N 0 0 330.392 0.885 10 0 ECAERN Cc1nc2c(cnn2C)c(N2CCN(Cc3nccc(N)n3)CC2)n1 ZINC000135054231 436908210 /nfs/dbraw/zinc/90/82/10/436908210.db2.gz RZJYOZLSXQUTLU-UHFFFAOYSA-N 0 0 339.407 0.366 10 0 ECAERN COC(C)(C)CS(=O)(=O)NC1CC([N@@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263457565 436966228 /nfs/dbraw/zinc/96/62/28/436966228.db2.gz CNJWWYWBRQQOAL-UHFFFAOYSA-N 0 0 348.465 0.658 10 0 ECAERN Cc1nc(C[C@H]2CCCN(C(=O)CN(C)S(C)(=O)=O)C2)no1 ZINC000171237894 436974467 /nfs/dbraw/zinc/97/44/67/436974467.db2.gz JTSKANAVDIXCRP-LLVKDONJSA-N 0 0 330.410 0.051 10 0 ECAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)N[C@H]3CCN(C)C3=O)C2)n1 ZINC000163865889 436929359 /nfs/dbraw/zinc/92/93/59/436929359.db2.gz ZQLJFZHADFWMDA-KGLIPLIRSA-N 0 0 334.424 0.547 10 0 ECAERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1ccn(CCC(C)C)n1 ZINC000166717678 436939375 /nfs/dbraw/zinc/93/93/75/436939375.db2.gz CDDFTZFETMTQOM-LBPRGKRZSA-N 0 0 335.408 0.605 10 0 ECAERN CC(C)CCO[C@H](C)C(=O)N1CCO[C@H](C[N@H+](C)CC(=O)[O-])C1 ZINC000263011865 436948606 /nfs/dbraw/zinc/94/86/06/436948606.db2.gz YTEVGAOJLMUTHF-ZIAGYGMSSA-N 0 0 330.425 0.681 10 0 ECAERN CN1CCO[C@H](CNC(=O)NCCNC(=O)c2cccs2)C1 ZINC000170922520 436960116 /nfs/dbraw/zinc/96/01/16/436960116.db2.gz XEPVJKDOOVVAIU-LLVKDONJSA-N 0 0 326.422 0.108 10 0 ECAERN CC[C@H]1CN(C(=O)CNC(=O)c2ccccn2)CC[N@@H+]1CCOC ZINC000172552992 437019786 /nfs/dbraw/zinc/01/97/86/437019786.db2.gz PPMCZDVCKNYHDC-AWEZNQCLSA-N 0 0 334.420 0.381 10 0 ECAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)NC[C@H]1CN(C)CCO1)CC2 ZINC000172583560 437020657 /nfs/dbraw/zinc/02/06/57/437020657.db2.gz KUBJCUDWGYZUMQ-STQMWFEESA-N 0 0 336.440 0.346 10 0 ECAERN O=C(c1ccc(-n2cnnn2)cc1)N1CC[C@H](N2CCOCC2)C1 ZINC000172742027 437027488 /nfs/dbraw/zinc/02/74/88/437027488.db2.gz PSXLWQKBTFLWEJ-HNNXBMFYSA-N 0 0 328.376 0.209 10 0 ECAERN CN(c1cccnn1)C1CCN(CC(=O)N2CCN(C)CC2)CC1 ZINC000172758867 437029923 /nfs/dbraw/zinc/02/99/23/437029923.db2.gz ZBPJJIHFTMEUJR-UHFFFAOYSA-N 0 0 332.452 0.151 10 0 ECAERN CS(=O)(=O)c1ccc(S(=O)(=O)N2CCN3CCC[C@@H]3C2)cc1 ZINC000171770953 436987872 /nfs/dbraw/zinc/98/78/72/436987872.db2.gz UKCVUHVVVUBATG-GFCCVEGCSA-N 0 0 344.458 0.559 10 0 ECAERN O=C(NCCNC(=O)c1ccccc1)N[C@@H]1CCc2ncnn2C1 ZINC000171867048 436990232 /nfs/dbraw/zinc/99/02/32/436990232.db2.gz INTNXRZAKINIJU-CYBMUJFWSA-N 0 0 328.376 0.322 10 0 ECAERN O=C(Cc1ccccc1)N1CCN(C[C@@H](O)CN2CCCC2=O)CC1 ZINC000171883246 436992322 /nfs/dbraw/zinc/99/23/22/436992322.db2.gz UGYCGVGTLXLVJK-QGZVFWFLSA-N 0 0 345.443 0.357 10 0 ECAERN Cc1cc(C)n(C[C@H]2CN(C(=O)N[C@H](C)C(=O)N(C)C)CCO2)n1 ZINC000171901616 436992488 /nfs/dbraw/zinc/99/24/88/436992488.db2.gz DNZUVQXPDRNTRG-ZIAGYGMSSA-N 0 0 337.424 0.387 10 0 ECAERN CN1CCO[C@H](CNC(=O)NCC[S@@](=O)Cc2ccccc2)C1 ZINC000172067482 436997835 /nfs/dbraw/zinc/99/78/35/436997835.db2.gz NKTCZLDPALWUDS-IQMFZBJNSA-N 0 0 339.461 0.565 10 0 ECAERN CCOC(=O)NCC(=O)N1CCN(Cc2c(C)nn(C)c2C)CC1 ZINC000172083674 436999104 /nfs/dbraw/zinc/99/91/04/436999104.db2.gz ZSMRGTMCBIBPPC-UHFFFAOYSA-N 0 0 337.424 0.427 10 0 ECAERN Cn1cc([C@@H]2CCN(C(=O)CCN3CCCS3(=O)=O)C2)cn1 ZINC000172260370 437006102 /nfs/dbraw/zinc/00/61/02/437006102.db2.gz IHMRGKQPIUQZIH-GFCCVEGCSA-N 0 0 326.422 0.162 10 0 ECAERN Cn1nccc1C1CCN(C(=O)[C@@H]2CCCN2S(C)(=O)=O)CC1 ZINC000172381033 437012010 /nfs/dbraw/zinc/01/20/10/437012010.db2.gz FTHDTBVSSPUVJC-AWEZNQCLSA-N 0 0 340.449 0.550 10 0 ECAERN CNc1cc(N2CCC[C@H]2CNC(=O)c2ccn(C)c(=O)c2)ncn1 ZINC000173415325 437047363 /nfs/dbraw/zinc/04/73/63/437047363.db2.gz ITMOHHIXRSSRPD-ZDUSSCGKSA-N 0 0 342.403 0.616 10 0 ECAERN CCCN(CCO)C(=O)NC[C@@H]1CCCN1c1cc(NC)ncn1 ZINC000173420130 437048376 /nfs/dbraw/zinc/04/83/76/437048376.db2.gz WCFOUCTTZJFWRP-ZDUSSCGKSA-N 0 0 336.440 0.901 10 0 ECAERN CNc1cc(N2CCC[C@H]2CNC(=O)c2ccc(C)[nH]c2=O)ncn1 ZINC000173431765 437050754 /nfs/dbraw/zinc/05/07/54/437050754.db2.gz DPDUMDWYCKCPBP-LBPRGKRZSA-N 0 0 342.403 0.914 10 0 ECAERN Cc1nnc([C@@H]2CN(C(=O)c3cccc(-n4cccn4)n3)CCO2)[nH]1 ZINC000173529204 437054452 /nfs/dbraw/zinc/05/44/52/437054452.db2.gz SFYPBKTUIUERDI-ZDUSSCGKSA-N 0 0 339.359 0.908 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)C(=O)NCc2ccc(F)cc2)CC1 ZINC000173585699 437058703 /nfs/dbraw/zinc/05/87/03/437058703.db2.gz HZDBEERFWAKNOJ-OAHLLOKOSA-N 0 0 337.395 0.357 10 0 ECAERN Cc1cnn(CCNC(=O)c2ccc(C[C@H]3CC(=O)NC3=O)cc2)c1 ZINC000173678016 437059747 /nfs/dbraw/zinc/05/97/47/437059747.db2.gz LVRZERWFVRSSJY-HNNXBMFYSA-N 0 0 340.383 0.827 10 0 ECAERN COCCN1CCN(C(=O)C(=O)NCc2ccc(F)cc2)C[C@@H]1C ZINC000173806113 437064367 /nfs/dbraw/zinc/06/43/67/437064367.db2.gz YKTOCLQAPDKOKF-ZDUSSCGKSA-N 0 0 337.395 0.621 10 0 ECAERN C[C@H](NC(=O)CN1CC(=O)NC1=O)c1cccc(-n2ccnc2)c1 ZINC000173937267 437068378 /nfs/dbraw/zinc/06/83/78/437068378.db2.gz DNIKZHWAYAZTNA-NSHDSACASA-N 0 0 327.344 0.601 10 0 ECAERN O=C(NCc1nccn1C(F)F)N1CC[C@@H](N2CCOCC2)C1 ZINC000173907607 437069535 /nfs/dbraw/zinc/06/95/35/437069535.db2.gz HKGQFDWDLVXNEV-LLVKDONJSA-N 0 0 329.351 0.894 10 0 ECAERN O=C(Nc1cc(F)ccc1F)C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000174010190 437072656 /nfs/dbraw/zinc/07/26/56/437072656.db2.gz ZRCQWYNPRFYSBI-LBPRGKRZSA-N 0 0 339.342 0.836 10 0 ECAERN COc1ccc(S(=O)(=O)N2CC[C@@H](N3CCOCC3)C2)cc1F ZINC000174001062 437073832 /nfs/dbraw/zinc/07/38/32/437073832.db2.gz WQDIWBFAIWFAQL-GFCCVEGCSA-N 0 0 344.408 0.930 10 0 ECAERN CCN1CCO[C@H](C(=O)N(C)[C@@H]2CCCN(c3cccnn3)C2)C1 ZINC000175005792 437092113 /nfs/dbraw/zinc/09/21/13/437092113.db2.gz VPNYKGDZOYQAOB-CABCVRRESA-N 0 0 333.436 0.625 10 0 ECAERN CO[C@@H](C)c1noc(CN2CCN(c3ccc4nncn4n3)CC2)n1 ZINC000175187569 437097176 /nfs/dbraw/zinc/09/71/76/437097176.db2.gz MQHCMBFPRDUFCR-NSHDSACASA-N 0 0 344.379 0.537 10 0 ECAERN NC(=O)N[C@H](Cc1ccccc1)C(=O)NCCCNC(=O)C1CCC1 ZINC000177009105 303280898 /nfs/dbraw/zinc/28/08/98/303280898.db2.gz HHUHXSMMRALOMV-OAHLLOKOSA-N 0 0 346.431 0.689 10 0 ECAERN NC(=O)[C@@H]1COCCN1S(=O)(=O)c1c(Cl)cccc1Cl ZINC000179687635 303308733 /nfs/dbraw/zinc/30/87/33/303308733.db2.gz WYNICXQXGVVWEA-VIFPVBQESA-N 0 0 339.200 0.868 10 0 ECAERN CSC1(CNC(=O)N[C@H]2CCc3ncnn3C2)CCOCC1 ZINC000175113382 437095389 /nfs/dbraw/zinc/09/53/89/437095389.db2.gz NGYWIDHJWUPQRN-NSHDSACASA-N 0 0 325.438 0.804 10 0 ECAERN C[C@@H]1CN(c2cc(N3CCC[C@@H]3CO)ncn2)C[C@@H]1N1CCOCC1 ZINC000176705411 437152502 /nfs/dbraw/zinc/15/25/02/437152502.db2.gz WRJGNSQXVAXZGC-OAGGEKHMSA-N 0 0 347.463 0.595 10 0 ECAERN O=C(Cc1cccc(F)c1)N1CCCN(C(=O)[C@H]2CNC(=O)C2)CC1 ZINC000176798640 437156784 /nfs/dbraw/zinc/15/67/84/437156784.db2.gz YGGKXSJZVDOWHS-CQSZACIVSA-N 0 0 347.390 0.565 10 0 ECAERN Cc1nccn1C[C@H]1CCCN1C(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000177177896 437172674 /nfs/dbraw/zinc/17/26/74/437172674.db2.gz VXUCWAOPWQJJQV-ZIAGYGMSSA-N 0 0 342.403 0.959 10 0 ECAERN Cc1cc(N2CCC[C@H](NC(=O)N3CCC(C)(O)CC3)C2=O)n(C)n1 ZINC000177554203 437189770 /nfs/dbraw/zinc/18/97/70/437189770.db2.gz QSBFXTYTJRXFEZ-ZDUSSCGKSA-N 0 0 349.435 0.780 10 0 ECAERN CC(C)n1nnnc1CN1CCN(Cc2nnnn2C(C)C)[C@H](C)C1 ZINC000177796341 437197730 /nfs/dbraw/zinc/19/77/30/437197730.db2.gz RGRROGICVNVWMO-CYBMUJFWSA-N 0 0 348.459 0.528 10 0 ECAERN Cn1c2nnc(CN3CC[N@@H+]4CCC[C@@H]4C3)n2c2ccsc2c1=O ZINC000178621840 437221070 /nfs/dbraw/zinc/22/10/70/437221070.db2.gz LTOYZJLFYDUODK-LLVKDONJSA-N 0 0 344.444 0.923 10 0 ECAERN CNC(=O)[C@H](NC(=O)[C@@H]1CCCN(C(=O)c2ccncc2)C1)C(C)C ZINC000178725469 437226662 /nfs/dbraw/zinc/22/66/62/437226662.db2.gz OJZXSUHIPOLTRB-HUUCEWRRSA-N 0 0 346.431 0.821 10 0 ECAERN CN(CC(=O)N1CCO[C@@H](c2nncn2C)C1)Cc1ccccc1 ZINC000328620441 437241287 /nfs/dbraw/zinc/24/12/87/437241287.db2.gz GZWPDHBNECRPEZ-OAHLLOKOSA-N 0 0 329.404 0.847 10 0 ECAERN Cc1nnc(CN(C)[C@H]2CN(Cc3cccc4c3OCO4)C[C@H]2O)o1 ZINC000328622962 437241471 /nfs/dbraw/zinc/24/14/71/437241471.db2.gz BQIYMJCXWWUNJO-UONOGXRCSA-N 0 0 346.387 0.784 10 0 ECAERN CNC(=O)[C@H](NC(=O)C(=O)Nc1ccc2c(c1)CN(C)C2)C(C)C ZINC000179077906 437250829 /nfs/dbraw/zinc/25/08/29/437250829.db2.gz BLVXWNBXTQKHRS-CQSZACIVSA-N 0 0 332.404 0.457 10 0 ECAERN NC(=O)c1ccc(-c2nc(CN3C[C@H](O)C[C@@H]3CO)cs2)cc1 ZINC000179172972 437251997 /nfs/dbraw/zinc/25/19/97/437251997.db2.gz GSPAHIZFAPMIPF-ZIAGYGMSSA-N 0 0 333.413 0.837 10 0 ECAERN CNC(=O)[C@@H]1CCCN1C(=O)NCc1ccc(Cn2cncn2)cc1 ZINC000179229592 437254988 /nfs/dbraw/zinc/25/49/88/437254988.db2.gz AXKCZEMPMMDGEP-HNNXBMFYSA-N 0 0 342.403 0.746 10 0 ECAERN COC(=O)CCN1CCN(C(=O)NCCn2cc(C)cn2)[C@@H](C)C1 ZINC000180984184 437308554 /nfs/dbraw/zinc/30/85/54/437308554.db2.gz RMKZGAGJEPAOHX-AWEZNQCLSA-N 0 0 337.424 0.470 10 0 ECAERN C[C@H](OC[C@@H](O)CN1CCOC[C@@H]1C(N)=O)c1ccc(Cl)cc1 ZINC000179723163 437272108 /nfs/dbraw/zinc/27/21/08/437272108.db2.gz XSZATHOFIHXJBE-TUKIKUTGSA-N 0 0 342.823 0.965 10 0 ECAERN Cc1nnc([C@H]2CN(C(=O)C(=O)Nc3cccc(F)c3)CCO2)[nH]1 ZINC000180223816 437282343 /nfs/dbraw/zinc/28/23/43/437282343.db2.gz JTFKUFCOFRYJFT-GFCCVEGCSA-N 0 0 333.323 0.791 10 0 ECAERN CCn1cc(CN2CCCN(C(=O)COCCCOC)CC2)cn1 ZINC000180461238 437290880 /nfs/dbraw/zinc/29/08/80/437290880.db2.gz NFTFBBZALYBXCP-UHFFFAOYSA-N 0 0 338.452 0.990 10 0 ECAERN COCCCOCC(=O)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000180451794 437291402 /nfs/dbraw/zinc/29/14/02/437291402.db2.gz FFRIDQYDDLSKSD-KRWDZBQOSA-N 0 0 336.432 0.917 10 0 ECAERN CCOc1ccnc(N2CCN([C@H](C)CN3CCOCC3)CC2)n1 ZINC000180478364 437291532 /nfs/dbraw/zinc/29/15/32/437291532.db2.gz NIKQRRIQTITNMP-OAHLLOKOSA-N 0 0 335.452 0.718 10 0 ECAERN O=C(NCCNC(=O)N1CCC(c2cc[nH]n2)CC1)c1ccn[nH]1 ZINC000181673829 437326965 /nfs/dbraw/zinc/32/69/65/437326965.db2.gz HSLXJFRBEITMPV-UHFFFAOYSA-N 0 0 331.380 0.452 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)NC2CC[NH+](CCOC)CC2)CC1 ZINC000184964575 437420894 /nfs/dbraw/zinc/42/08/94/437420894.db2.gz DJDGXIRUJIZFJB-MRXNPFEDSA-N 0 0 342.484 0.195 10 0 ECAERN Cc1nccc(N2CCN(C(=O)N[C@H]3CCCn4ncnc43)CC2)n1 ZINC000185035079 437422814 /nfs/dbraw/zinc/42/28/14/437422814.db2.gz XLGAWYFAENSKQK-ZDUSSCGKSA-N 0 0 342.407 0.743 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)NCCNC(=O)C(C)(C)C)CC1 ZINC000185010996 437423045 /nfs/dbraw/zinc/42/30/45/437423045.db2.gz GVICULBMNJRKOO-CYBMUJFWSA-N 0 0 328.457 0.247 10 0 ECAERN COCC(=O)NC1CN(C[C@@H](O)COc2cc(C)ccc2Cl)C1 ZINC000185088992 437424435 /nfs/dbraw/zinc/42/44/35/437424435.db2.gz UCBLAQQLUFPZPK-CYBMUJFWSA-N 0 0 342.823 0.835 10 0 ECAERN O=C(CN1C[C@H](O)C[C@@H]1CO)NCCc1ccc(OC(F)F)cc1 ZINC000185178949 437428738 /nfs/dbraw/zinc/42/87/38/437428738.db2.gz UFNVRVHHSKVFCD-CHWSQXEVSA-N 0 0 344.358 0.374 10 0 ECAERN CCC[C@H]1CN(C(=O)NCC(=O)NCC2CC2)CC[N@@H+]1CCOC ZINC000183798933 437392149 /nfs/dbraw/zinc/39/21/49/437392149.db2.gz YANDHOKTCBEVSY-HNNXBMFYSA-N 0 0 340.468 0.655 10 0 ECAERN CCN(CC1CC1)S(=O)(=O)N1CCO[C@H](c2nnc(C)[nH]2)C1 ZINC000183941283 437394127 /nfs/dbraw/zinc/39/41/27/437394127.db2.gz LLGAXVCACOTSQW-LBPRGKRZSA-N 0 0 329.426 0.463 10 0 ECAERN COCC(=O)NC1CN(C(=O)c2cn(C)nc2-c2ccccc2)C1 ZINC000186312314 437469798 /nfs/dbraw/zinc/46/97/98/437469798.db2.gz UGDKTYGPOLRACP-UHFFFAOYSA-N 0 0 328.372 0.674 10 0 ECAERN Cc1cc(NC(=O)C(=O)N2C[C@@H](CO)[C@@H](c3ccsc3)C2)n(C)n1 ZINC000186311387 437470211 /nfs/dbraw/zinc/47/02/11/437470211.db2.gz GLVSMGWLJLMDIS-QWHCGFSZSA-N 0 0 348.428 0.963 10 0 ECAERN COCC(=O)NC1CN(C(=O)Cc2ccccc2Br)C1 ZINC000185237713 437432283 /nfs/dbraw/zinc/43/22/83/437432283.db2.gz NGTZNLHBEAWWIK-UHFFFAOYSA-N 0 0 341.205 0.965 10 0 ECAERN COCC(=O)NC1CN(C(=O)CCC(=O)c2ccc(F)c(F)c2)C1 ZINC000185242869 437432337 /nfs/dbraw/zinc/43/23/37/437432337.db2.gz FNSSOAQVVVYWFK-UHFFFAOYSA-N 0 0 340.326 0.901 10 0 ECAERN COCC(=O)NC1CN(C(=O)Cc2ccc(-n3cccn3)cc2)C1 ZINC000185275428 437433898 /nfs/dbraw/zinc/43/38/98/437433898.db2.gz GSGYVZOZZQQRGI-UHFFFAOYSA-N 0 0 328.372 0.388 10 0 ECAERN COCC(=O)NC1CN(C(=O)NCCCc2c(C)nn(C)c2C)C1 ZINC000185767697 437450856 /nfs/dbraw/zinc/45/08/56/437450856.db2.gz VQFVJJUWADDIEC-UHFFFAOYSA-N 0 0 337.424 0.126 10 0 ECAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)N(CCO)CCCOC ZINC000187295143 437498338 /nfs/dbraw/zinc/49/83/38/437498338.db2.gz IAAQUTVGNPTENH-LBPRGKRZSA-N 0 0 325.413 0.716 10 0 ECAERN CC(C)(C)OC(=O)N1C[C@@H](F)C[C@@H]1C(=O)N1CCS(=O)CC1 ZINC000187777167 437516820 /nfs/dbraw/zinc/51/68/20/437516820.db2.gz PDFJVWNJIQZTAZ-WDEREUQCSA-N 0 0 334.413 0.925 10 0 ECAERN CS(=O)(=O)N1CC(CNC(=O)N2CCCC[C@@H]2c2cn[nH]c2)C1 ZINC000188166386 437530747 /nfs/dbraw/zinc/53/07/47/437530747.db2.gz VFWMDSGAIQZDEP-CYBMUJFWSA-N 0 0 341.437 0.538 10 0 ECAERN O=C([C@@H]1CC(c2cccnc2)=NO1)N1CC[C@H](N2CCOCC2)C1 ZINC000188237060 437536479 /nfs/dbraw/zinc/53/64/79/437536479.db2.gz VJDDWFCZPSBRJO-HOCLYGCPSA-N 0 0 330.388 0.508 10 0 ECAERN Cc1nc2c(cnn2C)c(N2CCN([C@@H](C)c3nnnn3C)CC2)n1 ZINC000189204606 437588411 /nfs/dbraw/zinc/58/84/11/437588411.db2.gz BBPPFCHXEMCIBD-JTQLQIEISA-N 0 0 342.411 0.078 10 0 ECAERN CCn1cc([C@@H]2CN(C(=O)NCCC(=O)NC(C)C)CCO2)cn1 ZINC000190839593 437637805 /nfs/dbraw/zinc/63/78/05/437637805.db2.gz DEFOADPFPNKIAB-AWEZNQCLSA-N 0 0 337.424 0.901 10 0 ECAERN C[C@@H](C(=O)N(C)C)S(=O)(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000192007741 437659462 /nfs/dbraw/zinc/65/94/62/437659462.db2.gz AWXHSYLSYDERNV-JSGCOSHPSA-N 0 0 327.450 0.685 10 0 ECAERN CC[C@H](O)CN1CCN(CCS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000192604794 437682489 /nfs/dbraw/zinc/68/24/89/437682489.db2.gz ACSMTCWFRNAGQV-HNNXBMFYSA-N 0 0 344.452 0.988 10 0 ECAERN NC(=O)Cn1cc(NC(=O)C(=O)NC2C3CC4CC(C3)CC2C4)cn1 ZINC000193536179 437711796 /nfs/dbraw/zinc/71/17/96/437711796.db2.gz QCEOMZKVSXSIAN-UHFFFAOYSA-N 0 0 345.403 0.248 10 0 ECAERN C[C@@H]1C(=O)NCCCN1C(=O)N[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000364978849 437837002 /nfs/dbraw/zinc/83/70/02/437837002.db2.gz GIUIQXVPBHHHPE-CHWSQXEVSA-N 0 0 330.388 0.712 10 0 ECAERN NC(=O)[C@]1(O)CCCN(C(=O)/C=C\c2ccc(Br)o2)C1 ZINC000380564951 438412413 /nfs/dbraw/zinc/41/24/13/438412413.db2.gz GXLIPWCWNHPGHV-DXTPNHAXSA-N 0 0 343.177 0.894 10 0 ECAERN Cc1oc(Br)cc1C(=O)N1CCC[C@@](O)(C(N)=O)C1 ZINC000396514226 438447720 /nfs/dbraw/zinc/44/77/20/438447720.db2.gz RKCRIQLNFVFUTQ-LBPRGKRZSA-N 0 0 331.166 0.803 10 0 ECAERN CC(C)n1cc([C@@]2(O)CCCN(CC(=O)N3CCOCC3)C2)nn1 ZINC000583618000 439487903 /nfs/dbraw/zinc/48/79/03/439487903.db2.gz SHGHWMKUSSWIKU-MRXNPFEDSA-N 0 0 337.424 0.001 10 0 ECAERN CN(C[C@@H]1C[C@H](F)CN1Cc1nccs1)C(=O)Cn1ccnn1 ZINC000583622036 439488773 /nfs/dbraw/zinc/48/87/73/439488773.db2.gz DKONTLXULCPPIH-RYUDHWBXSA-N 0 0 338.412 0.806 10 0 ECAERN O=C(CN1CCC[C@](O)(c2cn[nH]n2)C1)NCc1ccc(F)cc1 ZINC000583618063 439488804 /nfs/dbraw/zinc/48/88/04/439488804.db2.gz ZGKQTWDEFNLDBZ-MRXNPFEDSA-N 0 0 333.367 0.544 10 0 ECAERN CNC(=O)[C@]1(COC)CCCN1C(=O)c1cc(-n2cccn2)ccn1 ZINC000643951111 440389639 /nfs/dbraw/zinc/38/96/39/440389639.db2.gz XERUYVFKMDCRNG-QGZVFWFLSA-N 0 0 343.387 0.635 10 0 ECAERN CNC(=O)C[C@H]1CS(=O)(=O)CCN1C(=O)c1[nH]ccc1C1CC1 ZINC000644171071 440459286 /nfs/dbraw/zinc/45/92/86/440459286.db2.gz ILKUOMLZTNYLHN-NSHDSACASA-N 0 0 339.417 0.267 10 0 ECAERN O=C(CN1CCCC[C@@H](O)C1=O)N1CCC(Cn2cccn2)CC1 ZINC000644367749 440549464 /nfs/dbraw/zinc/54/94/64/440549464.db2.gz PAJNXAIGJLCOIZ-OAHLLOKOSA-N 0 0 334.420 0.495 10 0 ECAERN Cn1nc(CCNC(=O)CN2CCCC[C@@H](O)C2=O)c2ccccc21 ZINC000644436516 440591000 /nfs/dbraw/zinc/59/10/00/440591000.db2.gz YFYCCPUQEXEEFW-MRXNPFEDSA-N 0 0 344.415 0.605 10 0 ECAERN CCn1nccc1[C@@H]1OCCC[C@H]1CNS(=O)(=O)C1COC1 ZINC000657077572 440941671 /nfs/dbraw/zinc/94/16/71/440941671.db2.gz XZHMOCARFOXJOC-SMDDNHRTSA-N 0 0 329.422 0.689 10 0 ECAERN CN1c2ccccc2CN(C(=O)[C@@H]2CC[C@@H](C(=O)[O-])[NH2+]C2)CC1=O ZINC000630702488 440944016 /nfs/dbraw/zinc/94/40/16/440944016.db2.gz DOAJCTGORYZNAY-YPMHNXCESA-N 0 0 331.372 0.444 10 0 ECAERN Cc1nnc([C@H]2CN(CCC(=O)N3CCN(C)CC3)C[C@@H](C)O2)o1 ZINC000661927566 440938083 /nfs/dbraw/zinc/93/80/83/440938083.db2.gz LCUVGPXBXXGIIM-TZMCWYRMSA-N 0 0 337.424 0.304 10 0 ECAERN Cc1c(Cl)cccc1OCC(=O)NC[C@@H](O)CN1CCOCC1 ZINC000128052074 320511508 /nfs/dbraw/zinc/51/15/08/320511508.db2.gz WCAYKFARAAUFDS-CYBMUJFWSA-N 0 0 342.823 0.837 10 0 ECAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000317566618 320709787 /nfs/dbraw/zinc/70/97/87/320709787.db2.gz OACCVEACYFFBPN-FQUUOJAGSA-N 0 0 330.450 0.420 10 0 ECAERN CN(C)c1nccc(N2CCN([C@@H]3CCN(C4CC4)C3=O)CC2)n1 ZINC000328671421 320726397 /nfs/dbraw/zinc/72/63/97/320726397.db2.gz NIPLISVAEUYMCR-CQSZACIVSA-N 0 0 330.436 0.428 10 0 ECAERN Cn1[nH]c(CN2CCc3ccc(S(C)(=O)=O)cc3CC2)nc1=O ZINC000328696111 320727731 /nfs/dbraw/zinc/72/77/31/320727731.db2.gz KTKYPAVJSUEXNO-UHFFFAOYSA-N 0 0 336.417 0.113 10 0 ECAERN C[C@H](CC(=O)N1CCCN(S(C)(=O)=O)CC1)N1CCCCC1=O ZINC000328696079 320727871 /nfs/dbraw/zinc/72/78/71/320727871.db2.gz KSASWIKIZGKDSA-CYBMUJFWSA-N 0 0 345.465 0.271 10 0 ECAERN C[C@H](C(=O)N(C)CC(=O)N1CCC[C@H](n2cccn2)C1)n1cccn1 ZINC000328714745 320729003 /nfs/dbraw/zinc/72/90/03/320729003.db2.gz SNMPYUCBXSKDJX-CABCVRRESA-N 0 0 344.419 0.963 10 0 ECAERN Cn1ncc2c1ncn(CC(=O)N1CCC[C@H](n3cccn3)C1)c2=O ZINC000328725625 320729423 /nfs/dbraw/zinc/72/94/23/320729423.db2.gz ZELUVYIIAVOIAE-LBPRGKRZSA-N 0 0 341.375 0.190 10 0 ECAERN Cc1cc(C)n2nc(CC(=O)N3CCC[C@H]4C(=O)NC[C@H]43)nc2n1 ZINC000328816086 320734358 /nfs/dbraw/zinc/73/43/58/320734358.db2.gz NSQNBNAWEMXTMS-VXGBXAGGSA-N 0 0 328.376 0.861 10 0 ECAERN O=C(Cc1ccccc1)N1CC[C@@H](NS(=O)(=O)N2CCCC2)C1 ZINC000328832445 320735403 /nfs/dbraw/zinc/73/54/03/320735403.db2.gz KTIOKTBYNGYATH-OAHLLOKOSA-N 0 0 337.445 0.760 10 0 ECAERN CN(C(=O)N1CCC[C@@H](n2cccn2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000328898983 320739771 /nfs/dbraw/zinc/73/97/71/320739771.db2.gz XCFVELTZWFVSBW-CHWSQXEVSA-N 0 0 326.422 0.759 10 0 ECAERN Cc1nc2c(nccc2C(=O)N2CCOC[C@H]2c2ncnn2C)[nH]1 ZINC000329095843 320752866 /nfs/dbraw/zinc/75/28/66/320752866.db2.gz BNBDAWQYSNOUBL-NSHDSACASA-N 0 0 327.348 0.609 10 0 ECAERN O=C(C[C@H]1CCCCNC1=O)N1CCC[C@@](O)(Cn2ccnn2)C1 ZINC000329197344 320759364 /nfs/dbraw/zinc/75/93/64/320759364.db2.gz UEZRTSXIQDWEJP-CJNGLKHVSA-N 0 0 335.408 0.778 10 0 ECAERN O=S(=O)(c1cnc2ccc(F)cc2c1)N1CCO[C@H](CO)C1 ZINC000329290585 320764528 /nfs/dbraw/zinc/76/45/28/320764528.db2.gz QRARNFFBDPKTIE-LBPRGKRZSA-N 0 0 326.349 0.756 10 0 ECAERN Cc1cc(CS(=O)(=O)N2CC[C@@H](N3CCOCC3)[C@H]2C)on1 ZINC000329425525 320771598 /nfs/dbraw/zinc/77/15/98/320771598.db2.gz IXXMWLHUUWDWSH-TZMCWYRMSA-N 0 0 329.422 0.608 10 0 ECAERN Cn1nncc1S(=O)(=O)N(C[C@@H]1CCCO1)[C@@H]1CCSC1 ZINC000330054048 320802130 /nfs/dbraw/zinc/80/21/30/320802130.db2.gz RJDJQOUIQJQIEG-MNOVXSKESA-N 0 0 332.451 0.490 10 0 ECAERN CCC(=O)N1CSC[C@H]1C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000374156526 321835955 /nfs/dbraw/zinc/83/59/55/321835955.db2.gz HCSHISMRFJKYDP-OLZOCXBDSA-N 0 0 327.450 0.231 10 0 ECAERN Cn1cc(NC(=O)N[C@@H]2CC(=O)N(C3CC3)[C@H]2c2ccnn2C)nn1 ZINC000573892950 322769616 /nfs/dbraw/zinc/76/96/16/322769616.db2.gz GSNWBQHSXDSOQX-QMTHXVAHSA-N 0 0 344.379 0.175 10 0 ECAERN CC(=O)NC1CN(C(=O)C(=O)Nc2ccc(N3CCCC3)c(F)c2)C1 ZINC000191348088 526704559 /nfs/dbraw/zinc/70/45/59/526704559.db2.gz JJIQSWDKANMLSU-UHFFFAOYSA-N 0 0 348.378 0.711 10 0 ECAERN CC(=O)NC1CN(C(=O)N[C@@H](CN2CCOCC2)c2ccccc2)C1 ZINC000189735522 526710207 /nfs/dbraw/zinc/71/02/07/526710207.db2.gz HGCFOKPAFFIYAJ-KRWDZBQOSA-N 0 0 346.431 0.590 10 0 ECAERN CC(=O)NC1CN(C(=O)[C@H](c2ccccc2)N2CCC(O)CC2)C1 ZINC000191492631 526712791 /nfs/dbraw/zinc/71/27/91/526712791.db2.gz ZMYKKLMFXAFSST-KRWDZBQOSA-N 0 0 331.416 0.531 10 0 ECAERN C[C@@H](CNC(=O)NCCCOCC(F)(F)F)N1CCOCC1 ZINC000077793262 545692822 /nfs/dbraw/zinc/69/28/22/545692822.db2.gz HCXYVNLCQIPTJO-NSHDSACASA-N 0 0 327.347 0.975 10 0 ECAERN Nc1n[nH]c(C(=O)N2CC[C@]3(C2)CCCN(CCO)C3=O)c1Cl ZINC000091593015 545723683 /nfs/dbraw/zinc/72/36/83/545723683.db2.gz HEZWWYTZLJZBDK-AWEZNQCLSA-N 0 0 341.799 0.092 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NS(=O)(=O)CC[C@@H]1CCCO1)CC2 ZINC000120692941 545753327 /nfs/dbraw/zinc/75/33/27/545753327.db2.gz VOFRZOYCWAWUNQ-RYUDHWBXSA-N 0 0 328.438 0.644 10 0 ECAERN CCn1cc(CN2CCCN(C(=O)[C@@]3(O)CCSC3)CC2)cn1 ZINC000152758309 545821184 /nfs/dbraw/zinc/82/11/84/545821184.db2.gz FGIXQUBCJGIHTJ-MRXNPFEDSA-N 0 0 338.477 0.805 10 0 ECAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)[C@@H]1CCCN1S(C)(=O)=O ZINC000176673400 545871398 /nfs/dbraw/zinc/87/13/98/545871398.db2.gz AWYLQGLSBFFBDV-QWRGUYRKSA-N 0 0 341.437 0.216 10 0 ECAERN C[C@@H](NC(=O)C(=O)Nc1cnn(Cc2ccccn2)c1)[C@@H]1CCCO1 ZINC000178777548 545878920 /nfs/dbraw/zinc/87/89/20/545878920.db2.gz FJBAAYULGAFIKW-DOMZBBRYSA-N 0 0 343.387 0.949 10 0 ECAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NC1CCC(CO)CC1 ZINC000181026047 545884401 /nfs/dbraw/zinc/88/44/01/545884401.db2.gz VWUHOCCLGOWGIK-JXQTWKCFSA-N 0 0 332.466 0.858 10 0 ECAERN CCOc1cnc(C(=O)N2CCO[C@H](Cn3cc(C)cn3)C2)cn1 ZINC000189456993 545905774 /nfs/dbraw/zinc/90/57/74/545905774.db2.gz CKXDYIBPCSUYNJ-ZDUSSCGKSA-N 0 0 331.376 0.921 10 0 ECAERN CCn1cnc2c1ncnc2N1C[C@@H](O)[C@H](Oc2cnn(C)c2)C1 ZINC000624422369 546923496 /nfs/dbraw/zinc/92/34/96/546923496.db2.gz QHAAAMBOEUTSOZ-VXGBXAGGSA-N 0 0 329.364 0.208 10 0 ECAERN Cn1cc(O[C@@H]2CN(CC(=O)N3CCc4ccccc43)C[C@H]2O)cn1 ZINC000625622592 547178306 /nfs/dbraw/zinc/17/83/06/547178306.db2.gz MRVRZZJSJGOKMF-IAGOWNOFSA-N 0 0 342.399 0.433 10 0 ECAERN O[C@]1(Cn2ccnn2)CCN(Cc2noc(-c3ccccc3)n2)C1 ZINC000671551110 548179408 /nfs/dbraw/zinc/17/94/08/548179408.db2.gz PMABBYNWAQHUOC-MRXNPFEDSA-N 0 0 326.360 0.965 10 0 ECAERN C[C@H](C(=O)N1C[C@@H]2OCCN(C)[C@H]2C1)N1C(=O)c2ccccc2C1=O ZINC000675503109 548737150 /nfs/dbraw/zinc/73/71/50/548737150.db2.gz ZZYRAZQEGMTQPV-UGFHNGPFSA-N 0 0 343.383 0.213 10 0 ECAERN C[C@@H](C(=O)N1CCO[C@@]2(CCOC2)C1)N1C(=O)c2ccccc2C1=O ZINC000681112752 549223569 /nfs/dbraw/zinc/22/35/69/549223569.db2.gz FXOBQMOSMBKWSM-SGTLLEGYSA-N 0 0 344.367 0.689 10 0 ECAERN O=C(N[C@H]1CCC(=O)N[C@@H]1[C@H]1CCCO1)c1cnn2cccnc12 ZINC000685883880 549724159 /nfs/dbraw/zinc/72/41/59/549724159.db2.gz MEATYWHNAAFCMP-SCRDCRAPSA-N 0 0 329.360 0.285 10 0 ECAERN C[C@@H](OC(=O)Cn1ccc(=O)n(C)c1=O)c1nc2ccccc2[nH]1 ZINC000102129790 588911950 /nfs/dbraw/zinc/91/19/50/588911950.db2.gz NWRHJIBFENSDFR-SNVBAGLBSA-N 0 0 328.328 0.728 10 0 ECAERN CC(=O)N1CCc2cc(C(=O)N[C@H]3C[C@@H](O)[C@@H]3n3cccn3)ccc21 ZINC000888077010 586246062 /nfs/dbraw/zinc/24/60/62/586246062.db2.gz CMLJHBVGDASTPU-USXIJHARSA-N 0 0 340.383 0.896 10 0 ECAERN CN1CCCN(C(=O)c2cn([C@@H]3COC[C@H]3O)nn2)c2ccccc21 ZINC000888093526 586348386 /nfs/dbraw/zinc/34/83/86/586348386.db2.gz CIPUXJPLKZLXNL-HZPDHXFCSA-N 0 0 343.387 0.697 10 0 ECAERN Cn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2cc3c(cn2)OCCO3)cn1 ZINC000888093612 586348490 /nfs/dbraw/zinc/34/84/90/586348490.db2.gz KSBNDDSQCCMSFW-SWLSCSKDSA-N 0 0 346.343 0.163 10 0 ECAERN Cc1c(CCC(=O)N[C@H]2COC[C@H]2Oc2cnn(C)c2)cnn1C ZINC000888093540 586348540 /nfs/dbraw/zinc/34/85/40/586348540.db2.gz DRPUDIAPWBYXHY-LSDHHAIUSA-N 0 0 333.392 0.357 10 0 ECAERN Cc1noc(C)c1CCC(=O)N[C@H]1COC[C@H]1Oc1cnn(C)c1 ZINC000888094513 586348860 /nfs/dbraw/zinc/34/88/60/586348860.db2.gz XUBDZNHAAMEMLB-LSDHHAIUSA-N 0 0 334.376 0.920 10 0 ECAERN CNC(=O)[C@@H]1CC(=O)N(C2CN(C(=O)/C=C(/C)c3ccccc3)C2)C1 ZINC000888105390 586350942 /nfs/dbraw/zinc/35/09/42/586350942.db2.gz ABFGNBPUUWDDOA-JEMSNHSXSA-N 0 0 341.411 0.895 10 0 ECAERN O=C(C1CCC([NH+]2CCOCC2)CC1)N1CCC[C@H]1c1nnn[n-]1 ZINC000900389659 586628919 /nfs/dbraw/zinc/62/89/19/586628919.db2.gz WBKWYSUAQYJRTO-RUXDESIVSA-N 0 0 334.424 0.754 10 0 ECAERN CC(C)c1nc([C@H]2CCCN(C(=O)CN3CCNC(=O)C3)C2)no1 ZINC000900538832 586640987 /nfs/dbraw/zinc/64/09/87/586640987.db2.gz RZWVOAVAWQVELL-LBPRGKRZSA-N 0 0 335.408 0.331 10 0 ECAERN CCOCCN1CCN(C(=O)CNC(=O)N2CCCC2)C[C@@H]1C ZINC000900744083 586661606 /nfs/dbraw/zinc/66/16/06/586661606.db2.gz JCVFTZKIUASJTG-AWEZNQCLSA-N 0 0 326.441 0.361 10 0 ECAERN CNC(=O)[C@H]1Cn2c(C)nnc2CN1C(=O)c1ccoc1C1CC1 ZINC000818369956 587427633 /nfs/dbraw/zinc/42/76/33/587427633.db2.gz JFYQIXGAYMAAPX-GFCCVEGCSA-N 0 0 329.360 0.828 10 0 ECAERN Cc1nn(C)c(C)c1CN1CCN(S(=O)(=O)N(C)C(C)C)CC1 ZINC000115580746 589704949 /nfs/dbraw/zinc/70/49/49/589704949.db2.gz VXSBFWXLYUESDB-UHFFFAOYSA-N 0 0 343.497 0.740 10 0 ECAERN C[C@@H]1COC[C@H](C)N1CCS(=O)(=O)CCN1[C@H](C)COC[C@@H]1C ZINC000120934513 589726324 /nfs/dbraw/zinc/72/63/24/589726324.db2.gz KJZLNPLPAOQZAY-GEEKYZPCSA-N 0 0 348.509 0.620 10 0 ECAERN Cn1cc(O[C@@H]2COC[C@@H]2NC(=O)Cc2n[nH]c3ccccc32)cn1 ZINC000862925663 589975031 /nfs/dbraw/zinc/97/50/31/589975031.db2.gz OGYWRTOLKZXKHN-JKSUJKDBSA-N 0 0 341.371 0.802 10 0 ECAERN Cc1nn(CN2C[C@@H](C)O[C@H](C(N)=O)C2)c(C)c1Br ZINC000120186812 590094776 /nfs/dbraw/zinc/09/47/76/590094776.db2.gz ICKYRISZQICACA-XCBNKYQSSA-N 0 0 331.214 0.795 10 0 ECAERN C[C@@H]1CN(Cn2nc(-c3ccccc3)ccc2=O)C[C@H](C(N)=O)O1 ZINC000120306869 590117221 /nfs/dbraw/zinc/11/72/21/590117221.db2.gz XGFSGYPGHFKFFH-IUODEOHRSA-N 0 0 328.372 0.442 10 0 ECAERN O=C(OCCOc1cncc(Br)c1)[C@@H]1CNC(=O)C1 ZINC000124084877 590117297 /nfs/dbraw/zinc/11/72/97/590117297.db2.gz RQTFIGPJBMIIJE-QMMMGPOBSA-N 0 0 329.150 0.902 10 0 ECAERN CCN1CCO[C@@H](CNC(=O)Cn2cccn2)[C@@H]1c1nccn1C ZINC000886027145 590786897 /nfs/dbraw/zinc/78/68/97/590786897.db2.gz IWCMTVZLHHHNRF-DZGCQCFKSA-N 0 0 332.408 0.195 10 0 ECAERN O=C([O-])[C@]1([NH+]2CCN(Cc3nnc4n3CCCCC4)CC2)CCOC1 ZINC000886072027 590789986 /nfs/dbraw/zinc/78/99/86/590789986.db2.gz ZKLMJTJKQDIIKI-KRWDZBQOSA-N 0 0 349.435 0.366 10 0 ECAERN COCC(COC)NC(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1nccn1C ZINC000886077536 590790618 /nfs/dbraw/zinc/79/06/18/590790618.db2.gz GSYUOFGXIBLHLU-JSGCOSHPSA-N 0 0 338.408 0.107 10 0 ECAERN CC(=O)NCc1cc(O[C@@H]2CCN(C(=O)C3(O)CCC3)C2)ccn1 ZINC000886084858 590792750 /nfs/dbraw/zinc/79/27/50/590792750.db2.gz LXGSMMIHTVEANS-OAHLLOKOSA-N 0 0 333.388 0.612 10 0 ECAERN CO[C@@H]1CCCCN(CC(=O)N2CCC3(CNC(=O)C3)CC2)C1=O ZINC000886088066 590793904 /nfs/dbraw/zinc/79/39/04/590793904.db2.gz BFQZNNWXKJSGCK-CYBMUJFWSA-N 0 0 337.420 0.143 10 0 ECAERN CO[C@@H]1CN(S(=O)(=O)c2cc(C)oc2C)C[C@H]1c1cn(C)nn1 ZINC000886085186 590794052 /nfs/dbraw/zinc/79/40/52/590794052.db2.gz FIPRBPBVSBHNCI-WCQYABFASA-N 0 0 340.405 0.828 10 0 ECAERN O=C(Cc1ccc(-n2cnnc2)cc1)N[C@@H]1C[C@@H](O)C12CCOCC2 ZINC000886994775 590915155 /nfs/dbraw/zinc/91/51/55/590915155.db2.gz BDVLLDLJLSRQMS-HZPDHXFCSA-N 0 0 342.399 0.856 10 0 ECAERN COC(=O)c1cc(NC(=O)N2CCN(C[C@H](C)O)[C@H](C)C2)nn1C ZINC000889069132 591039010 /nfs/dbraw/zinc/03/90/10/591039010.db2.gz UZXCUOCMRNEQEA-MNOVXSKESA-N 0 0 339.396 0.126 10 0 ECAERN CNC(=O)[C@H](NS(=O)(=O)c1ccc2oc(=O)ccc2c1)C(C)C ZINC000178927765 608751552 /nfs/dbraw/zinc/75/15/52/608751552.db2.gz GHCCTTFBCFLMTO-CQSZACIVSA-N 0 0 338.385 0.842 10 0 ECAERN COC[C@@]1(C)NC(=O)N(CN2CCC[C@H]2Cn2ccnc2C)C1=O ZINC000176075295 608782775 /nfs/dbraw/zinc/78/27/75/608782775.db2.gz FGCQSWJACOYKCU-XJKSGUPXSA-N 0 0 335.408 0.570 10 0 ECAERN COCc1nn(CN2CCN(c3nc4ccccc4o3)CC2)c(=O)o1 ZINC000177166787 608925135 /nfs/dbraw/zinc/92/51/35/608925135.db2.gz GDCWNMFRWKLNQV-UHFFFAOYSA-N 0 0 345.359 0.904 10 0 ECAERN C[C@@H]1CC[C@@H](C(=O)NCC2CCN(S(=O)(=O)C(F)F)CC2)O1 ZINC000178270921 609034987 /nfs/dbraw/zinc/03/49/87/609034987.db2.gz VEACKNZDULLCFO-KOLCDFICSA-N 0 0 340.392 0.935 10 0 ECAERN CC(=O)N1Cc2cccnc2[C@@H](C(=O)NCc2cnn(C)c2C)C1 ZINC000222629085 609101030 /nfs/dbraw/zinc/10/10/30/609101030.db2.gz ILZQJSUIKAVBCN-HNNXBMFYSA-N 0 0 327.388 0.886 10 0 ECAERN O=C(N[C@@H]1C[C@H](O)[C@@H]1n1cccn1)[C@H]1COCCN1C1CCCC1 ZINC000909180194 609681318 /nfs/dbraw/zinc/68/13/18/609681318.db2.gz JVTYDTQXKJBKKK-LVQVYYBASA-N 0 0 334.420 0.317 10 0 ECAERN O=C(N[C@@H]1C[C@H](O)[C@H]1n1cccn1)[C@@]1(c2ccccc2)CNC(=O)C1 ZINC000909185155 609681546 /nfs/dbraw/zinc/68/15/46/609681546.db2.gz BKLCECHWMXCKIA-YQYZPQCESA-N 0 0 340.383 0.132 10 0 ECAERN O=C(N[C@@H]1C[C@H](O)[C@@H]1n1cccn1)[C@@H]1CCN(CC(F)(F)F)C1 ZINC000909187350 609682081 /nfs/dbraw/zinc/68/20/81/609682081.db2.gz URHYGJILCUGFHE-WISYIIOYSA-N 0 0 332.326 0.558 10 0 ECAERN Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N2CCSCC2)o1 ZINC000055245145 609697242 /nfs/dbraw/zinc/69/72/42/609697242.db2.gz HKXWKWQFLMSMIA-CQSZACIVSA-N 0 0 337.445 0.854 10 0 ECAERN CC(=O)N1Cc2cccnc2[C@@H](C(=O)NCCC(=O)NC(C)C)C1 ZINC000222645208 609702911 /nfs/dbraw/zinc/70/29/11/609702911.db2.gz KUZUOQDMAGOJLL-AWEZNQCLSA-N 0 0 332.404 0.558 10 0 ECAERN Cc1ccc([C@@H]2[C@@H](C(=O)NCCC(=O)N(C)C)OCC(=O)N2C)cc1 ZINC000223293807 609709430 /nfs/dbraw/zinc/70/94/30/609709430.db2.gz SHHPZYOUEDAVDH-SJORKVTESA-N 0 0 347.415 0.488 10 0 ECAERN CC(=O)N1CCC[C@H](C(=O)N2CCn3c(nnc3C(F)(F)F)C2)C1 ZINC000223489594 609711669 /nfs/dbraw/zinc/71/16/69/609711669.db2.gz CAOBAIBNQLSONN-JTQLQIEISA-N 0 0 345.325 0.898 10 0 ECAERN CCCCS(=O)(=O)NCC1(CN2CCOCC2)CCOCC1 ZINC000223624849 609713013 /nfs/dbraw/zinc/71/30/13/609713013.db2.gz STKPUXSLFWFZPB-UHFFFAOYSA-N 0 0 334.482 0.835 10 0 ECAERN Cc1nn(C)cc1C(=O)NCC1(CN2CCOCC2)CCOCC1 ZINC000223608643 609713140 /nfs/dbraw/zinc/71/31/40/609713140.db2.gz ANTUJRGZURPGTQ-UHFFFAOYSA-N 0 0 336.436 0.587 10 0 ECAERN Cc1cc2c(nc(N3CCOCC3)nc2NCCN2CCOCC2)[nH]1 ZINC000223946679 609716024 /nfs/dbraw/zinc/71/60/24/609716024.db2.gz HTHRJMSXZJDUIW-UHFFFAOYSA-N 0 0 346.435 0.847 10 0 ECAERN CCCn1cc(NC(=O)C(=O)N2CC[C@H](N3CCOCC3)C2)cn1 ZINC000157808593 609732343 /nfs/dbraw/zinc/73/23/43/609732343.db2.gz DNLLPOCYSYVWJI-AWEZNQCLSA-N 0 0 335.408 0.165 10 0 ECAERN CS(=O)(=O)N(C1CCOCC1)C1CCN(C(=O)C2CC2)CC1 ZINC000169759083 609745049 /nfs/dbraw/zinc/74/50/49/609745049.db2.gz LXOIAJRVZAILQX-UHFFFAOYSA-N 0 0 330.450 0.828 10 0 ECAERN CC(C)Nc1ncnc2c1ncn2CN(C)[C@H]1CCS(=O)(=O)C1 ZINC000170902352 609754231 /nfs/dbraw/zinc/75/42/31/609754231.db2.gz AUEDCASZDDZNJS-NSHDSACASA-N 0 0 338.437 0.723 10 0 ECAERN C[C@@H]1CN(C(=O)CN2CCC(N(C)c3cccnn3)CC2)CCO1 ZINC000171553410 609761955 /nfs/dbraw/zinc/76/19/55/609761955.db2.gz AVKAJBVKXLMWOS-CQSZACIVSA-N 0 0 333.436 0.625 10 0 ECAERN O=S(=O)(c1cccnc1Cl)N1CC[C@@H](N2CCOCC2)C1 ZINC000062976650 609775756 /nfs/dbraw/zinc/77/57/56/609775756.db2.gz KOFHBBJDRYLRQC-LLVKDONJSA-N 0 0 331.825 0.830 10 0 ECAERN CNC(=O)NCCNC(=O)[C@H]1CCC(=O)N(C)[C@H]1c1ccccc1 ZINC000910899989 609777469 /nfs/dbraw/zinc/77/74/69/609777469.db2.gz ZQATZPNPCKDZMJ-ZFWWWQNUSA-N 0 0 332.404 0.641 10 0 ECAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccc2nncn2c1 ZINC000179629599 609869429 /nfs/dbraw/zinc/86/94/29/609869429.db2.gz NWWMPDRDGZZNJI-GFCCVEGCSA-N 0 0 337.405 0.872 10 0 ECAERN CCN1C(=O)CN(CN2CCN([C@@H](C)c3nc(C)no3)CC2)C1=O ZINC000152638682 609870551 /nfs/dbraw/zinc/87/05/51/609870551.db2.gz AOBJKYYCCJQWJJ-NSHDSACASA-N 0 0 336.396 0.298 10 0 ECAERN CC[C@@H](O)[C@H]1CCCCN1C(=O)c1cn([C@@H]2COC[C@H]2OC)nn1 ZINC000912119966 609933727 /nfs/dbraw/zinc/93/37/27/609933727.db2.gz NDQCHEOFNPCKRM-KBUPBQIOSA-N 0 0 338.408 0.630 10 0 ECAERN O=C([C@@H]1CCS(=O)(=O)c2ccccc21)N1CCOC[C@@H]1CO ZINC000912417809 609956609 /nfs/dbraw/zinc/95/66/09/609956609.db2.gz VEQYFSPEMCQHQA-WCQYABFASA-N 0 0 325.386 0.167 10 0 ECAERN C[C@@H]1CN(c2nnnn2Cc2ccccc2)C[C@@H]1N1CCOCC1 ZINC000929058303 611726714 /nfs/dbraw/zinc/72/67/14/611726714.db2.gz DGMPOVNJWCHQRF-ZBFHGGJFSA-N 0 0 328.420 0.878 10 0 ECAERN C[C@@H]1CN(CN2C[C@H](c3ccccc3F)CC2=O)C[C@@H](C(N)=O)O1 ZINC000182698629 610439184 /nfs/dbraw/zinc/43/91/84/610439184.db2.gz QRUNJUIEYPIXJZ-JMSVASOKSA-N 0 0 335.379 0.674 10 0 ECAERN Cc1cc(C)n(C[C@H]2CN(C(=O)NCCc3ccnn3C)CCO2)n1 ZINC000185021800 610977627 /nfs/dbraw/zinc/97/76/27/610977627.db2.gz DXKWAKQKKJADBA-MRXNPFEDSA-N 0 0 346.435 0.887 10 0 ECAERN CCn1cc(C2CCN(Cn3nc4cnccn4c3=O)CC2)cn1 ZINC000132967926 611346949 /nfs/dbraw/zinc/34/69/49/611346949.db2.gz YTPRYSVMQNSAHJ-UHFFFAOYSA-N 0 0 327.392 0.945 10 0 ECAERN C[C@H](O)CN1CCN(C(=O)c2cnn(-c3ccc(F)cc3)n2)C[C@H]1C ZINC000246607880 612297183 /nfs/dbraw/zinc/29/71/83/612297183.db2.gz CBNLYIKZWXMOMS-OLZOCXBDSA-N 0 0 347.394 0.934 10 0 ECAERN COc1ccc(N2C[C@H](C(=O)N[C@@H]3C[C@@H](O)[C@H](CO)C3)CC2=O)cc1 ZINC000248115501 612659617 /nfs/dbraw/zinc/65/96/17/612659617.db2.gz AZFMDCLYRGULIM-LMOYCYGVSA-N 0 0 348.399 0.296 10 0 ECAERN NC(=O)CN1CCN(C[C@H]2CC(c3ccc(Cl)cc3)=NO2)CC1 ZINC000091729696 612911836 /nfs/dbraw/zinc/91/18/36/612911836.db2.gz PVVFGWXRECEGDD-CQSZACIVSA-N 0 0 336.823 0.936 10 0 ECAERN C[C@H]1CN(CCO)CCN1C(=O)[C@@H]1CCN1C(=O)OC(C)(C)C ZINC000722670961 732484187 /nfs/dbraw/zinc/48/41/87/732484187.db2.gz AQGUSNCQCYDEHG-STQMWFEESA-N 0 0 327.425 0.521 10 0 ECAERN CN1CCO[C@H](CNS(=O)(=O)c2ccc(C(F)(F)F)nc2)C1 ZINC000181965212 529789990 /nfs/dbraw/zinc/78/99/90/529789990.db2.gz GXJDSEBQWXYDDI-SECBINFHSA-N 0 0 339.339 0.709 10 0 ECAERN CN1C(=O)C[C@H](C(=O)NCCNC(=O)C2CC2)[C@@H]1c1ccc(F)cc1 ZINC000123485502 282640621 /nfs/dbraw/zinc/64/06/21/282640621.db2.gz QTPKSKXBZHFGGC-HOCLYGCPSA-N 0 0 347.390 0.988 10 0 ECAERN Cn1cc(CN2CCCN(C(=O)NCC(=O)NCC3CC3)CC2)cn1 ZINC000183775930 235223270 /nfs/dbraw/zinc/22/32/70/235223270.db2.gz UDNFNZLGXLNUTJ-UHFFFAOYSA-N 0 0 348.451 0.164 10 0 ECAERN CN(C(=O)NCC(=O)NCC1CC1)[C@H]1CCN(c2ccccc2)C1=O ZINC000183797135 235228853 /nfs/dbraw/zinc/22/88/53/235228853.db2.gz CNDKWPXDMQRYME-HNNXBMFYSA-N 0 0 344.415 0.960 10 0 ECAERN NC(=O)NC(=O)CN1c2cc(Br)ccc2C(=O)C1=O ZINC000019967150 202028658 /nfs/dbraw/zinc/02/86/58/202028658.db2.gz AUVAYZOQCGDGMJ-UHFFFAOYSA-N 0 0 326.106 0.173 10 0 ECAERN CN(NS(C)(=O)=O)S(=O)(=O)c1ccc(Br)cc1 ZINC000026270513 202141061 /nfs/dbraw/zinc/14/10/61/202141061.db2.gz DQGHHCIJLBCTTQ-UHFFFAOYSA-N 0 0 343.224 0.534 10 0 ECAERN COCC(=O)NC1CN(C(=O)c2cccnc2Br)C1 ZINC000186320149 235876377 /nfs/dbraw/zinc/87/63/77/235876377.db2.gz LWGSNEBJCGFCRP-UHFFFAOYSA-N 0 0 328.166 0.431 10 0 ECAERN O=S(=O)(N[C@@H]1CCc2ncnn2C1)c1cnn(CC(F)F)c1 ZINC000186984999 236086123 /nfs/dbraw/zinc/08/61/23/236086123.db2.gz WUCXMGHNJSXYDZ-MRVPVSSYSA-N 0 0 332.336 0.033 10 0 ECAERN O=S(=O)(c1cnn(CC(F)F)c1)N1CCC[C@@H](n2cncn2)C1 ZINC000186982023 236086532 /nfs/dbraw/zinc/08/65/32/236086532.db2.gz ZIEQAACKFLNGCS-SNVBAGLBSA-N 0 0 346.363 0.766 10 0 ECAERN COCCn1ccc(C(=O)N[C@H]2CCc3nnc(C(C)C)n3C2)n1 ZINC000187529101 236236971 /nfs/dbraw/zinc/23/69/71/236236971.db2.gz YQMPUASEMAGOBD-LBPRGKRZSA-N 0 0 332.408 0.989 10 0 ECAERN NC(=O)[C@@H]1COCCN1C(=O)c1ccc(-c2nc(C3CC3)no2)cc1 ZINC000091780320 283328820 /nfs/dbraw/zinc/32/88/20/283328820.db2.gz YWLJIQCSZWKHSC-ZDUSSCGKSA-N 0 0 342.355 0.940 10 0 ECAERN O=C([O-])C[C@@H]1C[NH2+]CCN(C(=O)CCn2cnc3ccccc32)C1 ZINC000071762183 304077516 /nfs/dbraw/zinc/07/75/16/304077516.db2.gz VXMFHBQFKQLURO-CYBMUJFWSA-N 0 0 330.388 0.949 10 0 ECAERN CCc1onc(C)c1NC(=O)C(=O)N1CCN(C[C@H](O)CC)CC1 ZINC000189473999 236935968 /nfs/dbraw/zinc/93/59/68/236935968.db2.gz CBPKWHQGSVBPMY-GFCCVEGCSA-N 0 0 338.408 0.399 10 0 ECAERN CS(=O)(=O)CCCN1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000071871664 202351054 /nfs/dbraw/zinc/35/10/54/202351054.db2.gz FYVJBAOAKVPUFK-UHFFFAOYSA-N 0 0 342.465 0.889 10 0 ECAERN Cc1ccc(-c2nc(CN3CC[NH+](CC(=O)[O-])CC3)cc(=O)[nH]2)cc1 ZINC000073696030 202372278 /nfs/dbraw/zinc/37/22/78/202372278.db2.gz YKCXRDNGLWNAPN-UHFFFAOYSA-N 0 0 342.399 0.948 10 0 ECAERN CC(=O)NCCNS(=O)(=O)c1cc(Br)ccc1N ZINC000037929634 202379383 /nfs/dbraw/zinc/37/93/83/202379383.db2.gz MBBYQJYQFATCNI-UHFFFAOYSA-N 0 0 336.211 0.446 10 0 ECAERN CCOCCO[C@H](C)C(=O)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000105828261 201060640 /nfs/dbraw/zinc/06/06/40/201060640.db2.gz MNKFLRKTCVFACN-OAHLLOKOSA-N 0 0 338.452 0.896 10 0 ECAERN C[C@H](c1nc(N)nc(N(C)C)n1)N1CCCN(c2cccnn2)CC1 ZINC000106070212 201061215 /nfs/dbraw/zinc/06/12/15/201061215.db2.gz VGZNVWORHVTWJQ-GFCCVEGCSA-N 0 0 343.439 0.583 10 0 ECAERN O=C(NCCCc1ccccc1)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000112725203 201067294 /nfs/dbraw/zinc/06/72/94/201067294.db2.gz QSDJIKQTPSFJJU-AWEZNQCLSA-N 0 0 327.388 0.458 10 0 ECAERN O=C(/C=C/c1ccc2c(c1)OCO2)N1CC[C@]2(C1)NC(=O)NC2=O ZINC000325417485 201078635 /nfs/dbraw/zinc/07/86/35/201078635.db2.gz MULBJXJVWGCUTH-WPTTZPOMSA-N 0 0 329.312 0.239 10 0 ECAERN O=C([C@@H]1CC(c2cccnc2)=NO1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000191589128 239200535 /nfs/dbraw/zinc/20/05/35/239200535.db2.gz FVAZPDYKNGKMGK-ZBFHGGJFSA-N 0 0 341.371 0.699 10 0 ECAERN CCCn1c(=O)c2c(ncn2CCC[C@H](O)[C@@H](C)O)n(CC)c1=O ZINC000000010589 201357961 /nfs/dbraw/zinc/35/79/61/201357961.db2.gz QWFXGJOMPNQZNP-NEPJUHHUSA-N 0 0 338.408 0.312 10 0 ECAERN C[C@@H](NC(=O)N1CCS(=O)(=O)C[C@@H]1c1cnn(C)c1)C1CC1 ZINC000189413078 296067623 /nfs/dbraw/zinc/06/76/23/296067623.db2.gz BHSUYDOIONMEKD-ZWNOBZJWSA-N 0 0 326.422 0.700 10 0 ECAERN Cc1c(NC(=O)C(=O)NC[C@H]2CN(C)CCO2)cnn1C1CCCC1 ZINC000193283936 240091238 /nfs/dbraw/zinc/09/12/38/240091238.db2.gz UFRNPFLHACIEEP-AWEZNQCLSA-N 0 0 349.435 0.692 10 0 ECAERN O=C(Oc1ccccc1)N1CCCN(C(=O)C2=NNC(=O)CC2)CC1 ZINC000075037905 203299645 /nfs/dbraw/zinc/29/96/45/203299645.db2.gz DBAORZGONAGCAR-UHFFFAOYSA-N 0 0 344.371 0.986 10 0 ECAERN C[C@H]1C[C@H]1NC(=O)C(=O)Nc1cc(F)c(S(C)(=O)=O)c(F)c1 ZINC000076097809 203338698 /nfs/dbraw/zinc/33/86/98/203338698.db2.gz KGYDOQSNQOPRRN-QUBYGPBYSA-N 0 0 332.328 0.831 10 0 ECAERN O=C(CSCC(=O)N[C@H]1CCSC1=O)N[C@H]1CCSC1=O ZINC000077292163 203378184 /nfs/dbraw/zinc/37/81/84/203378184.db2.gz ZDLGRWLIZGRLAD-YUMQZZPRSA-N 0 0 348.471 0.016 10 0 in-vitro ECAERN C[N@@H+](CC(=O)[O-])C[C@@H]1CN(C(=O)Cc2c(F)cccc2F)CCO1 ZINC000262908337 245245510 /nfs/dbraw/zinc/24/55/10/245245510.db2.gz JGOTUBZBJNBKEC-LLVKDONJSA-N 0 0 342.342 0.751 10 0 ECAERN CC(=O)N1CCc2ccc(S(=O)(=O)N3C[C@@H](F)C[C@H]3CO)cc21 ZINC000363737353 204068869 /nfs/dbraw/zinc/06/88/69/204068869.db2.gz CMERBUDZFLOPJJ-STQMWFEESA-N 0 0 342.392 0.689 10 0 ECAERN Nc1ncc(Br)cc1S(=O)(=O)N[C@H]1CCCOC1 ZINC000103962220 204090557 /nfs/dbraw/zinc/09/05/57/204090557.db2.gz USTBWSWCZKVLEX-QMMMGPOBSA-N 0 0 336.211 0.884 10 0 ECAERN CN1CCO[C@H](CNC(=O)NCc2ccnc(N3CCCC3)c2)C1 ZINC000104780812 204120308 /nfs/dbraw/zinc/12/03/08/204120308.db2.gz SRTHXHAYJLQLNA-OAHLLOKOSA-N 0 0 333.436 0.812 10 0 ECAERN CN1CCO[C@H](CNC(=O)NCc2ccc(N3CCCC3)nc2)C1 ZINC000104781112 204120881 /nfs/dbraw/zinc/12/08/81/204120881.db2.gz KBLREWOCWCKZGL-OAHLLOKOSA-N 0 0 333.436 0.812 10 0 ECAERN CN1CCO[C@@H](CNC(=O)NCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000104797853 204122248 /nfs/dbraw/zinc/12/22/48/204122248.db2.gz CGSQWDGIXACRBD-ZDUSSCGKSA-N 0 0 340.811 0.908 10 0 ECAERN C[C@H]1CN(C(=O)CN2CCC(Nc3cccnn3)CC2)C[C@H](C)O1 ZINC000105805016 204162185 /nfs/dbraw/zinc/16/21/85/204162185.db2.gz OWPGJVGKZLZMRN-KBPBESRZSA-N 0 0 333.436 0.989 10 0 ECAERN CCOc1ccnc(N2CCN(C(=O)CCn3cncn3)CC2)n1 ZINC000105819926 204163806 /nfs/dbraw/zinc/16/38/06/204163806.db2.gz QMKBEUVXVZEENJ-UHFFFAOYSA-N 0 0 331.380 0.206 10 0 ECAERN COC(=O)NC(C)(C)C(=O)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000105828590 204167741 /nfs/dbraw/zinc/16/77/41/204167741.db2.gz ZJVQWSZFGVRQFH-UHFFFAOYSA-N 0 0 337.424 0.589 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)Cn2nnc(-c3ccccc3)n2)CC1 ZINC000106397386 204194053 /nfs/dbraw/zinc/19/40/53/204194053.db2.gz BDBGULFNUVIOAK-HNNXBMFYSA-N 0 0 344.419 0.255 10 0 ECAERN C[C@@H](CNC(=O)NCCn1c2ccccc2oc1=O)N1CCOCC1 ZINC000106529793 204200583 /nfs/dbraw/zinc/20/05/83/204200583.db2.gz FKMOTTVXSQYLFS-ZDUSSCGKSA-N 0 0 348.403 0.614 10 0 ECAERN OC[C@@H]1CCCN(c2cc(N[C@@H]3CCc4ncnn4C3)ncn2)C1 ZINC000108947872 204274343 /nfs/dbraw/zinc/27/43/43/204274343.db2.gz WJBVXLZQDKMVQU-CHWSQXEVSA-N 0 0 329.408 0.704 10 0 ECAERN O=C(CNC(=O)c1cccc(F)c1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111649917 204366354 /nfs/dbraw/zinc/36/63/54/204366354.db2.gz YQFKLVQAUMNMKP-OAHLLOKOSA-N 0 0 346.362 0.680 10 0 ECAERN Cn1cc([C@@H]2CCN(C(=O)c3ccccc3OCC(N)=O)C2)cn1 ZINC000116120996 204521378 /nfs/dbraw/zinc/52/13/78/204521378.db2.gz RFRBLXBOPDOSEN-GFCCVEGCSA-N 0 0 328.372 0.914 10 0 ECAERN CN(C(=O)CCCS(C)(=O)=O)[C@@H]1CCCN(c2cccnn2)C1 ZINC000122107590 204849034 /nfs/dbraw/zinc/84/90/34/204849034.db2.gz YRJNKLXFUMVMOH-CYBMUJFWSA-N 0 0 340.449 0.729 10 0 ECAERN COCCN1C[C@@H](C(=O)N2CCC(Cn3cccn3)CC2)CC1=O ZINC000126175509 205043703 /nfs/dbraw/zinc/04/37/03/205043703.db2.gz IPBROKQHWHAABL-HNNXBMFYSA-N 0 0 334.420 0.617 10 0 ECAERN NC(=O)COc1ccc(C(=O)N2CCC[C@@H](Cn3cncn3)C2)cc1 ZINC000127010835 205081135 /nfs/dbraw/zinc/08/11/35/205081135.db2.gz PERAOASYUJTFPS-CYBMUJFWSA-N 0 0 343.387 0.695 10 0 ECAERN COc1cc(Cl)ccc1C(=O)NC[C@H](O)CN1CCOCC1 ZINC000128030706 205129345 /nfs/dbraw/zinc/12/93/45/205129345.db2.gz HVLKEKPAMAOVMH-LBPRGKRZSA-N 0 0 328.796 0.772 10 0 ECAERN O=C(NC[C@H](O)CN1CCOCC1)[C@H]1C[C@H]1c1cccc(F)c1F ZINC000128165112 205135460 /nfs/dbraw/zinc/13/54/60/205135460.db2.gz CRPIOSDJUMWUPX-UBHSHLNASA-N 0 0 340.370 0.878 10 0 ECAERN CNS(=O)(=O)c1cc(C(=O)N2CCC[C@H](n3cncn3)C2)co1 ZINC000131176448 205275915 /nfs/dbraw/zinc/27/59/15/205275915.db2.gz WTZFPCQSNZPNIS-NSHDSACASA-N 0 0 339.377 0.257 10 0 ECAERN CCN(CC)S(=O)(=O)N1CCO[C@H](Cn2nc(C)cc2C)C1 ZINC000111345038 220142693 /nfs/dbraw/zinc/14/26/93/220142693.db2.gz RDCBHRFRJPGHPL-AWEZNQCLSA-N 0 0 330.454 0.787 10 0 ECAERN CC[C@H](Oc1cccc(C)c1)C(=O)NC[C@H](O)CN1CCOCC1 ZINC000132651604 205336389 /nfs/dbraw/zinc/33/63/89/205336389.db2.gz XBNPJVNGQLVPBH-RDJZCZTQSA-N 0 0 336.432 0.962 10 0 ECAERN C[C@@](O)(CNC(=O)N[C@H]1CCc2ncnn2C1)c1ccc(F)cc1 ZINC000134086414 205391348 /nfs/dbraw/zinc/39/13/48/205391348.db2.gz YSYBKMOXDGRYET-XJKSGUPXSA-N 0 0 333.367 0.939 10 0 ECAERN CCO[C@H]1C[C@@H](N(C)C(=O)Cn2ccc(=O)n(C)c2=O)C12CCCC2 ZINC000150792218 205583186 /nfs/dbraw/zinc/58/31/86/205583186.db2.gz CTHWHSFTBUWBEK-KGLIPLIRSA-N 0 0 349.431 0.743 10 0 ECAERN CNC(=O)[C@@H]1CCCN1C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000155600411 206020248 /nfs/dbraw/zinc/02/02/48/206020248.db2.gz XJUDBIZRVRDQGM-INIZCTEOSA-N 0 0 345.447 0.966 10 0 ECAERN C[C@H](C1CC1)n1nccc1NC(=O)NC[C@@H](O)CN1CCOCC1 ZINC000157257000 206125798 /nfs/dbraw/zinc/12/57/98/206125798.db2.gz JNWBIGIVPVSBAB-TZMCWYRMSA-N 0 0 337.424 0.669 10 0 ECAERN CCOC(=O)CCS(=O)(=O)N1CCC(c2ccnn2C)CC1 ZINC000159326634 206238468 /nfs/dbraw/zinc/23/84/68/206238468.db2.gz PRWMGLGHGCHTDE-UHFFFAOYSA-N 0 0 329.422 0.883 10 0 ECAERN NC(=O)[C@H]1COCCN1CC(=O)Nc1nc2ccc(F)cc2s1 ZINC000092229872 218127705 /nfs/dbraw/zinc/12/77/05/218127705.db2.gz QULXWKSPXAPTDQ-SNVBAGLBSA-N 0 0 338.364 0.560 10 0 ECAERN O=C(NCc1ccc(F)cc1)C(=O)N1CCC[C@H](Cn2cncn2)C1 ZINC000173856712 206963982 /nfs/dbraw/zinc/96/39/82/206963982.db2.gz OPTZICODHKYKSA-AWEZNQCLSA-N 0 0 345.378 0.972 10 0 ECAERN CN(C)S(=O)(=O)N(C)C[C@H](c1cccs1)N1CCOCC1 ZINC000175213067 207105834 /nfs/dbraw/zinc/10/58/34/207105834.db2.gz DSBKVTWIFADJQI-GFCCVEGCSA-N 0 0 333.479 0.860 10 0 ECAERN O=C(CNC(=O)Cc1cccc(F)c1)N[C@@H]1CCCn2ncnc21 ZINC000175707143 207152717 /nfs/dbraw/zinc/15/27/17/207152717.db2.gz UPQZIGFLWVPMFS-CYBMUJFWSA-N 0 0 331.351 0.727 10 0 ECAERN Cc1oc(C(=O)N2CCN3CCCC[C@@H]3C2)cc1S(N)(=O)=O ZINC000176464332 207230306 /nfs/dbraw/zinc/23/03/06/207230306.db2.gz KKZKSXPKPYMLMM-LLVKDONJSA-N 0 0 327.406 0.546 10 0 ECAERN O=C(NC[C@@H](O)COc1ccc(F)cc1)N[C@H]1CCCn2ncnc21 ZINC000176595045 207241516 /nfs/dbraw/zinc/24/15/16/207241516.db2.gz WTQCTNBSOWBNLE-OCCSQVGLSA-N 0 0 349.366 0.991 10 0 ECAERN O=C(NC[C@H](O)COc1ccc(F)cc1)N[C@@H]1CCCn2ncnc21 ZINC000176595027 207241657 /nfs/dbraw/zinc/24/16/57/207241657.db2.gz WTQCTNBSOWBNLE-GXTWGEPZSA-N 0 0 349.366 0.991 10 0 ECAERN C[C@@H]1CN(C(=O)Nc2ccc(C(N)=O)cc2)C[C@@H]1N1CCOCC1 ZINC000177233427 207310899 /nfs/dbraw/zinc/31/08/99/207310899.db2.gz YGCMODYVGISLPN-DOMZBBRYSA-N 0 0 332.404 0.970 10 0 ECAERN Cc1cc(O)cc(=O)n1CC(=O)N[C@H]1CCc2nnc(C(C)C)n2C1 ZINC000177355351 207325608 /nfs/dbraw/zinc/32/56/08/207325608.db2.gz NACKSQGQKFUZPH-LBPRGKRZSA-N 0 0 345.403 0.708 10 0 ECAERN O=C(CNC(=O)N[C@@H]1CCCn2ncnc21)NCCc1ccccc1 ZINC000177362283 207326597 /nfs/dbraw/zinc/32/65/97/207326597.db2.gz HNLGOGJNAPRMFK-CQSZACIVSA-N 0 0 342.403 0.771 10 0 ECAERN Cc1cc(F)ccc1NC(=O)C(=O)N1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000177608383 207363496 /nfs/dbraw/zinc/36/34/96/207363496.db2.gz FDRJBDWYOLDTSI-CHWSQXEVSA-N 0 0 337.395 0.986 10 0 ECAERN CNC(=O)[C@H](NC(=O)NCc1ccnc(-n2cccn2)c1)C(C)C ZINC000178415683 207684527 /nfs/dbraw/zinc/68/45/27/207684527.db2.gz NDGSCFFGPBOAKT-CQSZACIVSA-N 0 0 330.392 0.837 10 0 ECAERN CCc1noc([C@H](C)N2CCN(C(=O)Nc3ncnn3C)CC2)n1 ZINC000181267294 207908847 /nfs/dbraw/zinc/90/88/47/207908847.db2.gz FGXMXUXKBPWLLZ-JTQLQIEISA-N 0 0 334.384 0.671 10 0 ECAERN COCC(=O)NC1CN(S(=O)(=O)c2ccc(-n3cccc3)cc2)C1 ZINC000187716400 533063638 /nfs/dbraw/zinc/06/36/38/533063638.db2.gz PNYYOKJLQIJJHU-UHFFFAOYSA-N 0 0 349.412 0.613 10 0 ECAERN COCCN1CCN(C(=O)NCCCC(=O)NC2CC2)C[C@H]1C ZINC000117480234 221070936 /nfs/dbraw/zinc/07/09/36/221070936.db2.gz RKOLPQFZOWSAIN-CYBMUJFWSA-N 0 0 326.441 0.407 10 0 ECAERN C[C@H]1CN(c2ncc(F)cn2)C[C@@]12CCN(CC(=O)N(C)C)C2=O ZINC000248063064 257667251 /nfs/dbraw/zinc/66/72/51/257667251.db2.gz ZGKROGMINMATQR-ZBEGNZNMSA-N 0 0 335.383 0.379 10 0 ECAERN O=C(Nc1ccnn1Cc1ccccc1F)C(=O)N1CCC[C@H]1CO ZINC000120966214 296646796 /nfs/dbraw/zinc/64/67/96/296646796.db2.gz NWRLNENGDJDWSP-ZDUSSCGKSA-N 0 0 346.362 0.992 10 0 ECAERN CO[C@@H]1C[C@@H](CO)N(C(=O)[C@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000345495249 298163454 /nfs/dbraw/zinc/16/34/54/298163454.db2.gz UXXZJESWFVKIHK-MELADBBJSA-N 0 0 326.437 0.879 10 0 ECAERN NC(=O)[C@@H]1COCCN1Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000092229631 164645137 /nfs/dbraw/zinc/64/51/37/164645137.db2.gz ABNJRQXFNFHEAR-VIFPVBQESA-N 0 0 334.401 0.159 10 0 ECAERN CCc1nc(C2(NCC(=O)N3CCC[C@H](C(N)=O)C3)CCCC2)no1 ZINC000173693436 164859982 /nfs/dbraw/zinc/85/99/82/164859982.db2.gz UXHIPLDFKSRLSG-LBPRGKRZSA-N 0 0 349.435 0.715 10 0 ECAERN COCC(=O)NC1CN(C(=O)NC[C@H](C)N(C)c2ccccc2)C1 ZINC000188360461 164997719 /nfs/dbraw/zinc/99/77/19/164997719.db2.gz WMGTUOSHAHUIAG-ZDUSSCGKSA-N 0 0 334.420 0.668 10 0 ECAERN COC[C@@H](C)n1ccc(NC(=O)C(=O)N2CCN3CCCC[C@@H]3C2)n1 ZINC000188878192 165003308 /nfs/dbraw/zinc/00/33/08/165003308.db2.gz FGLYQTLEQJQTNE-ZIAGYGMSSA-N 0 0 349.435 0.726 10 0 ECAERN Cc1nn(C)c(C)c1-c1cc(C(=O)N2CCCNC(=O)[C@H]2C)[nH]n1 ZINC000188956759 165004616 /nfs/dbraw/zinc/00/46/16/165004616.db2.gz VOHABORLTRDCHV-LLVKDONJSA-N 0 0 330.392 0.778 10 0 ECAERN CCN1CCCN(C(=O)N[C@@H]2CCc3nc(C(C)C)nn3C2)CC1=O ZINC000189714837 165014894 /nfs/dbraw/zinc/01/48/94/165014894.db2.gz HYQOYJCQPJDDOO-CYBMUJFWSA-N 0 0 348.451 0.980 10 0 ECAERN Cc1nn(C)c(-n2cccn2)c1C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000189903003 165017065 /nfs/dbraw/zinc/01/70/65/165017065.db2.gz DRQNWYVJNUYZLC-AWEZNQCLSA-N 0 0 344.419 0.461 10 0 ECAERN CC(=O)NC1CN(C(=O)C2=NN(Cc3ccccc3)C(=O)CC2)C1 ZINC000190486488 165020354 /nfs/dbraw/zinc/02/03/54/165020354.db2.gz KDILWICHFOJAOD-UHFFFAOYSA-N 0 0 328.372 0.512 10 0 ECAERN CC(=O)NC1CN(C(=O)[C@@H]2CCCN2C(=O)Cc2cccs2)C1 ZINC000190495755 165021844 /nfs/dbraw/zinc/02/18/44/165021844.db2.gz LBJSAIYXLYRWHE-AWEZNQCLSA-N 0 0 335.429 0.629 10 0 ECAERN CCn1cc([C@@H]2CN(CCCNS(=O)(=O)CC)CCO2)cn1 ZINC000190757019 165025827 /nfs/dbraw/zinc/02/58/27/165025827.db2.gz WJHJQEOBFFMELT-AWEZNQCLSA-N 0 0 330.454 0.606 10 0 ECAERN C[C@H]1C(=O)NCCCN1C(=O)NCc1cccc(-n2cncn2)c1 ZINC000191405413 165032825 /nfs/dbraw/zinc/03/28/25/165032825.db2.gz ZDXRXEJHBJMFCP-LBPRGKRZSA-N 0 0 328.376 0.687 10 0 ECAERN CNC(=O)c1cccc(CCNC(=O)N2CCCNC(=O)[C@@H]2C)c1 ZINC000191422343 165032947 /nfs/dbraw/zinc/03/29/47/165032947.db2.gz GUFXMYVJOWGWIB-LBPRGKRZSA-N 0 0 332.404 0.509 10 0 ECAERN O=C(NC[C@H](O)CN1CCOCC1)c1cncn1-c1ccc(F)cc1 ZINC000192709534 165045928 /nfs/dbraw/zinc/04/59/28/165045928.db2.gz XEIUSEGWWRYYRY-HNNXBMFYSA-N 0 0 348.378 0.434 10 0 ECAERN CC(C)c1nnc2n1C[C@@H](NC(=O)c1ccc(C(N)=O)cn1)CC2 ZINC000195293339 165078845 /nfs/dbraw/zinc/07/88/45/165078845.db2.gz IBKNEBFTJWTSAM-NSHDSACASA-N 0 0 328.376 0.640 10 0 ECAERN COC(=O)CCNC(=O)CN1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000195510410 165083670 /nfs/dbraw/zinc/08/36/70/165083670.db2.gz VOMLXZLXAKTNBO-CYBMUJFWSA-N 0 0 349.435 0.821 10 0 ECAERN CCn1ccnc1CS(=O)(=O)CC(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000195519831 165083942 /nfs/dbraw/zinc/08/39/42/165083942.db2.gz RRYKOCPGRHRXPL-RYUDHWBXSA-N 0 0 329.422 0.454 10 0 ECAERN COc1nc(N[C@H]2CCC(=O)N(C)C2=O)ncc1Br ZINC000234998576 165090470 /nfs/dbraw/zinc/09/04/70/165090470.db2.gz KNKBLDMCKKDNOL-ZETCQYMHSA-N 0 0 329.154 0.807 10 0 ECAERN C[C@@H]1C[N@H+](CC(=O)[N-]OCc2ccccc2)C[C@H]1N1CCOCC1 ZINC000245525938 165106767 /nfs/dbraw/zinc/10/67/67/165106767.db2.gz BPUCCJRQCNSTCZ-NVXWUHKLSA-N 0 0 333.432 0.887 10 0 ECAERN Cc1cc(N2CC[C@H](NC(=O)NC[C@H]3CCCC[C@H]3O)C2=O)n(C)n1 ZINC000245497837 165107956 /nfs/dbraw/zinc/10/79/56/165107956.db2.gz UVXRANBTQFSGAT-HZSPNIEDSA-N 0 0 349.435 0.684 10 0 ECAERN CCc1onc(C)c1NC(=O)C(=O)N1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000245672440 165113002 /nfs/dbraw/zinc/11/30/02/165113002.db2.gz SLPAIQHENODDGU-MNOVXSKESA-N 0 0 338.408 0.397 10 0 ECAERN CC(C)[C@H](CNC(=O)CN1CCOC[C@H]1C(N)=O)c1ccccc1 ZINC000245706411 165114600 /nfs/dbraw/zinc/11/46/00/165114600.db2.gz BYEZPDQCOAZLKC-HOTGVXAUSA-N 0 0 333.432 0.729 10 0 ECAERN C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)CN1CCOC[C@H]1C(N)=O ZINC000246760052 165142981 /nfs/dbraw/zinc/14/29/81/165142981.db2.gz PMMDNLZRGNVZOH-HZMBPMFUSA-N 0 0 341.358 0.670 10 0 ECAERN COC(=O)[C@@H](CC(C)C)NC(=O)CN1CC[C@@H](c2cnn(C)c2)C1 ZINC000246881409 165145968 /nfs/dbraw/zinc/14/59/68/165145968.db2.gz GBNHIQVRXRYCCP-UKRRQHHQSA-N 0 0 336.436 0.913 10 0 ECAERN Cc1nnc([C@H]2CN([C@H](C)c3nc(N)nc(N(C)C)n3)CCO2)[nH]1 ZINC000246973934 165148375 /nfs/dbraw/zinc/14/83/75/165148375.db2.gz MAOCJIKJPASFMU-PSASIEDQSA-N 0 0 333.400 0.081 10 0 ECAERN CC[C@@H]1CN(C(=O)[C@H](C)NC(=O)c2ccco2)CCN1CCOC ZINC000247227315 165156199 /nfs/dbraw/zinc/15/61/99/165156199.db2.gz VZMPVARUUPIWIO-UONOGXRCSA-N 0 0 337.420 0.967 10 0 ECAERN C[C@H](NC(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O)[C@H]1CCCO1 ZINC000247341647 165161463 /nfs/dbraw/zinc/16/14/63/165161463.db2.gz AATFTGRLXMUHHQ-RWMBFGLXSA-N 0 0 335.408 0.782 10 0 ECAERN CCNC(=O)C(C)(C)CNC(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000248628557 165180361 /nfs/dbraw/zinc/18/03/61/165180361.db2.gz OPTIRPPZTWNZOQ-STQMWFEESA-N 0 0 328.457 0.245 10 0 ECAERN NC(=O)[C@H](c1cccc(Br)c1)N1C[C@@H](O)C[C@@H]1CO ZINC000249369469 165195675 /nfs/dbraw/zinc/19/56/75/165195675.db2.gz WARQBRMWNADHSP-WOPDTQHZSA-N 0 0 329.194 0.403 10 0 ECAERN CCn1cc(NC(=O)C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)ccc1=O ZINC000249190215 165196679 /nfs/dbraw/zinc/19/66/79/165196679.db2.gz PEDULPIYBQWHAO-TZMCWYRMSA-N 0 0 332.404 0.502 10 0 ECAERN CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)N2CC(NC(=O)C3CC3)C2)C1 ZINC000253202180 165208617 /nfs/dbraw/zinc/20/86/17/165208617.db2.gz BLUHOBNTTSZDOP-QNXDBWELSA-N 0 0 341.477 0.986 10 0 ECAERN CCCCNC(=O)[C@@H]1CCCN(C(=O)[C@H]([NH3+])C2CCOCC2)C1 ZINC000261705280 165229291 /nfs/dbraw/zinc/22/92/91/165229291.db2.gz IJVGFTYTXJLDAJ-HUUCEWRRSA-N 0 0 325.453 0.895 10 0 ECAERN C[C@H]1OCCN[C@@H]1C(=O)NCc1ccccc1CS(C)(=O)=O ZINC000262017796 165276589 /nfs/dbraw/zinc/27/65/89/165276589.db2.gz WIBQJXRVDNLDOW-RISCZKNCSA-N 0 0 326.418 0.224 10 0 ECAERN COCC[NH2+]CCNC(=O)C1(CC(=O)N2CCOCC2)CCCC1 ZINC000262124691 165295118 /nfs/dbraw/zinc/29/51/18/165295118.db2.gz MRYNIQOGYRGTCR-UHFFFAOYSA-N 0 0 341.452 0.148 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)CNC(=O)CC(C)(C)C)C1 ZINC000262702370 165376580 /nfs/dbraw/zinc/37/65/80/165376580.db2.gz INYWRVSUSBFSAS-UHFFFAOYSA-N 0 0 327.425 0.593 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)c2cccc(-n3cccn3)n2)C1 ZINC000262726072 165377478 /nfs/dbraw/zinc/37/74/78/165377478.db2.gz SPIAYQXZGABBGE-UHFFFAOYSA-N 0 0 343.387 0.935 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)c2cc(C(N)=O)cs2)C1 ZINC000262722204 165377847 /nfs/dbraw/zinc/37/78/47/165377847.db2.gz QFPPIDGOTGJXKY-UHFFFAOYSA-N 0 0 325.390 0.514 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)CCOC2CCOCC2)C1 ZINC000262761921 165384154 /nfs/dbraw/zinc/38/41/54/165384154.db2.gz ZTVARLIBAIAIQT-UHFFFAOYSA-N 0 0 328.409 0.626 10 0 ECAERN COC(=O)Cn1ncc2c1ncnc2N1CCC[C@H]1Cn1ccnc1 ZINC000301558921 296888485 /nfs/dbraw/zinc/88/84/85/296888485.db2.gz OCTISGJUHRKZBH-LBPRGKRZSA-N 0 0 341.375 0.865 10 0 ECAERN O=S1(=O)N=C(NC2CCN([C@@H]3CCOC3)CC2)c2ccccc21 ZINC000301808516 296891324 /nfs/dbraw/zinc/89/13/24/296891324.db2.gz AUAQVPPOHGGZDZ-CYBMUJFWSA-N 0 0 335.429 0.978 10 0 ECAERN Cc1cc(N2CCN(c3ccncc3C(N)=O)CC2)n2ncnc2n1 ZINC000302026167 296894845 /nfs/dbraw/zinc/89/48/45/296894845.db2.gz KZSJCUBPARDPAF-UHFFFAOYSA-N 0 0 338.375 0.253 10 0 ECAERN COc1ccc2[nH]cc(CC(=O)NC[C@H](O)CN3CCOCC3)c2c1 ZINC000121247720 221796882 /nfs/dbraw/zinc/79/68/82/221796882.db2.gz GOFBNZXYFOHISW-AWEZNQCLSA-N 0 0 347.415 0.528 10 0 ECAERN CCCc1noc(CCCC(=O)NC[C@@H](O)CN2CCOCC2)n1 ZINC000122610788 222123418 /nfs/dbraw/zinc/12/34/18/222123418.db2.gz ZUKBBPLQHHSHEK-CYBMUJFWSA-N 0 0 340.424 0.154 10 0 ECAERN CC[C@H](O)CN1CCN(CCS(=O)(=O)c2ccccc2)CC1 ZINC000118857109 263145878 /nfs/dbraw/zinc/14/58/78/263145878.db2.gz PCSJCVCUIKLCQY-HNNXBMFYSA-N 0 0 326.462 0.849 10 0 ECAERN C[NH+](C)C[C@H]1CN(C(=O)C(=O)Nc2cccnc2Cl)CCO1 ZINC000179845401 263156529 /nfs/dbraw/zinc/15/65/29/263156529.db2.gz JNEJDOHQOAMIJT-JTQLQIEISA-N 0 0 326.784 0.463 10 0 ECAERN CN(C)c1ncccc1O[C@H]1CCN(C(=O)c2nccnc2N)C1 ZINC000275764688 263644908 /nfs/dbraw/zinc/64/49/08/263644908.db2.gz XFESKKSDQXFVPK-NSHDSACASA-N 0 0 328.376 0.813 10 0 ECAERN Cc1nnc2ccc(N[C@@H]3CC(=O)N(C)[C@H]3c3ccnn3C)nn12 ZINC000285052121 264273099 /nfs/dbraw/zinc/27/30/99/264273099.db2.gz WRLUQFGLTVCCSR-MEBBXXQBSA-N 0 0 326.364 0.550 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)c2ncn(-c3ccccc3)n2)CC1 ZINC000156189817 273724176 /nfs/dbraw/zinc/72/41/76/273724176.db2.gz DRCOOKLZQBOITR-OAHLLOKOSA-N 0 0 329.404 0.796 10 0 ECAERN CS(=O)(=O)c1ccc(C(=O)N2CC[C@H](N3CCOCC3)C2)cc1 ZINC000172757968 277502116 /nfs/dbraw/zinc/50/21/16/277502116.db2.gz HBXZKJAVJHBVMA-AWEZNQCLSA-N 0 0 338.429 0.637 10 0 ECAERN NC(=O)[C@@H]1COCCN1C(=O)Cc1ccc(F)c(Br)c1 ZINC000091781940 279579957 /nfs/dbraw/zinc/57/99/57/279579957.db2.gz ZEILNNLUBMRWED-NSHDSACASA-N 0 0 345.168 0.843 10 0 ECAERN CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000194140755 280291696 /nfs/dbraw/zinc/29/16/96/280291696.db2.gz XDZPCZDUJQRLGY-MNOVXSKESA-N 0 0 339.358 0.479 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)N[C@H](C)CN1CCCC1=O)CC2 ZINC000172312984 288635681 /nfs/dbraw/zinc/63/56/81/288635681.db2.gz LEAZIGISBBAGSG-NEPJUHHUSA-N 0 0 334.424 0.465 10 0 ECAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)CN1C(=O)c2ccccc2C1=O ZINC000081588404 293516419 /nfs/dbraw/zinc/51/64/19/293516419.db2.gz BBHGKNZBEOJLCO-CYBMUJFWSA-N 0 0 339.355 0.834 10 0 ECAERN C[C@@H]1CN(S(=O)(=O)CC2CCOCC2)C[C@@H]1N1CCOCC1 ZINC000176996999 297039688 /nfs/dbraw/zinc/03/96/88/297039688.db2.gz IXFOVYSSROIZCL-HIFRSBDPSA-N 0 0 332.466 0.395 10 0 ECAERN CCN(C[C@H](O)C(F)(F)F)C(=O)NC[C@H](C)N1CCOCC1 ZINC000190201769 437621333 /nfs/dbraw/zinc/62/13/33/437621333.db2.gz XKDGVTZECXARBA-QWRGUYRKSA-N 0 0 327.347 0.662 10 0 ECAERN C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000253542919 297100527 /nfs/dbraw/zinc/10/05/27/297100527.db2.gz NQCXBWXIQAZRNO-KOLCDFICSA-N 0 0 329.360 0.745 10 0 ECAERN NC(=O)CN1CCc2ccc(NC(=O)N3CCO[C@H](CO)C3)cc2C1 ZINC000333414529 297132160 /nfs/dbraw/zinc/13/21/60/297132160.db2.gz HNQUTBRMTXSUGP-HNNXBMFYSA-N 0 0 348.403 0.805 10 0 ECAERN CO[C@H]1C[C@@H](C(N)=O)N(c2ncnc3c2cnn3-c2ccccc2)C1 ZINC000343676504 297907323 /nfs/dbraw/zinc/90/73/23/297907323.db2.gz AJHRYQJYWSBHCW-JSGCOSHPSA-N 0 0 338.371 0.895 10 0 ECAERN COC(=O)c1ccc(NCC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 ZINC000015290010 436078163 /nfs/dbraw/zinc/07/81/63/436078163.db2.gz KQFCWOPSPPMMBP-LBPRGKRZSA-N 0 0 326.374 0.188 10 0 ECAERN CC(=O)N1c2ccccc2C[C@@H]1C(=O)NCCCN1CCOCC1 ZINC000015773082 436084046 /nfs/dbraw/zinc/08/40/46/436084046.db2.gz VEZVUFGGHGKAOS-QGZVFWFLSA-N 0 0 331.416 0.803 10 0 ECAERN CS(=O)(=O)NCc1nc(C(=O)NCc2ccc(F)cc2)no1 ZINC000075609952 436166037 /nfs/dbraw/zinc/16/60/37/436166037.db2.gz HVPJZSLLSXLXIQ-UHFFFAOYSA-N 0 0 328.325 0.188 10 0 ECAERN CC(=O)N[C@H]1CCCN(C(=O)c2ccc(N3CCNC3=O)cc2)C1 ZINC000079299331 436296172 /nfs/dbraw/zinc/29/61/72/436296172.db2.gz MFBJQQOGXGRSFM-AWEZNQCLSA-N 0 0 330.388 0.957 10 0 ECAERN CC(=O)OC[C@H]1O[C@H](OC(C)=O)C[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000044608466 436342868 /nfs/dbraw/zinc/34/28/68/436342868.db2.gz KLEORKVJPIJWNG-YIYPIFLZSA-N 0 0 332.305 0.091 10 0 ECAERN C[C@H](CNC(=O)NCc1ccc([S@@](C)=O)cc1)N1CCOCC1 ZINC000080071940 436311481 /nfs/dbraw/zinc/31/14/81/436311481.db2.gz CCSNBRYOCBQHAD-ZLOXQWCVSA-N 0 0 339.461 0.944 10 0 ECAERN C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCc1ccnn1C ZINC000080306690 436317059 /nfs/dbraw/zinc/31/70/59/436317059.db2.gz NEJNTCMPAGTHLJ-JTQLQIEISA-N 0 0 347.400 0.164 10 0 ECAERN CCc1ccc(S(=O)(=O)N2CC[C@]3(C2)NC(=O)NC3=O)s1 ZINC000084796615 436386467 /nfs/dbraw/zinc/38/64/67/436386467.db2.gz VIFJVRPLDZSRSC-GFCCVEGCSA-N 0 0 329.403 0.283 10 0 ECAERN O=C(/C=C/c1ccnc(Cl)c1)NC[C@H](O)CN1CCOCC1 ZINC000090165896 436429911 /nfs/dbraw/zinc/42/99/11/436429911.db2.gz CWMPXKKRKFNGDK-AORQRIRUSA-N 0 0 325.796 0.558 10 0 ECAERN NC(=O)[C@@H]1COCCN1C(=O)COc1cccc(C(F)(F)F)c1 ZINC000091781090 436460036 /nfs/dbraw/zinc/46/00/36/436460036.db2.gz LUFCBCVJZXKCMI-NSHDSACASA-N 0 0 332.278 0.797 10 0 ECAERN CCc1nn(C)c(OC)c1CNC(=O)NC[C@@H](C)N1CCOCC1 ZINC000093119864 436482240 /nfs/dbraw/zinc/48/22/40/436482240.db2.gz DLBGMCWJKOSLLX-GFCCVEGCSA-N 0 0 339.440 0.511 10 0 ECAERN O=C(NC[C@@H](O)CN1CCOCC1)Nc1ccc(C(F)(F)F)nc1 ZINC000093094456 436482325 /nfs/dbraw/zinc/48/23/25/436482325.db2.gz FCXCBKSVCNCNLK-LLVKDONJSA-N 0 0 348.325 0.915 10 0 ECAERN CC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2ccnn2C(C)(C)C)C1 ZINC000093200214 436484208 /nfs/dbraw/zinc/48/42/08/436484208.db2.gz IYHUBTCZRPEJFW-GFCCVEGCSA-N 0 0 335.408 0.704 10 0 ECAERN COCCc1noc(CO[C@H]2CCCN(S(=O)(=O)C(C)C)C2)n1 ZINC000097942632 436544432 /nfs/dbraw/zinc/54/44/32/436544432.db2.gz YLYTYXYTXSWLIF-LBPRGKRZSA-N 0 0 347.437 0.978 10 0 ECAERN COc1ccc(CC(=O)N2C[C@@H]3C[C@H]2C[C@@H]3NS(C)(=O)=O)cc1 ZINC000097942226 436545089 /nfs/dbraw/zinc/54/50/89/436545089.db2.gz OFLXWKYQJQQLOO-YDHLFZDLSA-N 0 0 338.429 0.776 10 0 ECAERN COC(=O)[C@@H]1CC[C@@H]2C/C=N/C[C@H](NC(=O)OC(C)(C)C)C(=O)N21 ZINC000100341515 436547682 /nfs/dbraw/zinc/54/76/82/436547682.db2.gz BKLHPWOKTLQBIN-NFOVHZFJSA-N 0 0 339.392 0.887 10 0 ECAERN CN1CCO[C@@H](CNC(=O)NC2CCN(c3ccccn3)CC2)C1 ZINC000104789768 436562398 /nfs/dbraw/zinc/56/23/98/436562398.db2.gz WFTVOIIGPHCTMT-HNNXBMFYSA-N 0 0 333.436 0.680 10 0 ECAERN CN1CCO[C@H](CNC(=O)NCCc2nnc3n2CCCCC3)C1 ZINC000104780393 436563295 /nfs/dbraw/zinc/56/32/95/436563295.db2.gz WGJYBGYOGJIELB-CYBMUJFWSA-N 0 0 336.440 0.177 10 0 ECAERN CCCC(=O)N[C@H]1CCCN(C(=O)NC[C@@H]2CN(C)CCO2)C1 ZINC000105279382 436572053 /nfs/dbraw/zinc/57/20/53/436572053.db2.gz IKXMRRRRBQPZBJ-UONOGXRCSA-N 0 0 326.441 0.407 10 0 ECAERN COC(=O)[C@@H]1C[C@@H](O)CN1Cc1cn(CCC(N)=O)c2ccccc12 ZINC000055404790 436575896 /nfs/dbraw/zinc/57/58/96/436575896.db2.gz MDYRKFHJOXPSEP-CJNGLKHVSA-N 0 0 345.399 0.625 10 0 ECAERN CNC(=O)C[C@H]1C(=O)NCCN1Cc1c(C)cc(C)c(CO)c1C ZINC000055575410 436577268 /nfs/dbraw/zinc/57/72/68/436577268.db2.gz KEUQQQWJLYZZNZ-INIZCTEOSA-N 0 0 333.432 0.541 10 0 ECAERN CN(c1cccnn1)C1CCN(CC(=O)NC[C@H]2CCCO2)CC1 ZINC000105910570 436586218 /nfs/dbraw/zinc/58/62/18/436586218.db2.gz FFZMXECQFSTUBC-OAHLLOKOSA-N 0 0 333.436 0.672 10 0 ECAERN Cc1cnn([C@@H]2CCCN(CC(=O)NCC(=O)N3CCCC3)C2)c1 ZINC000105901023 436586306 /nfs/dbraw/zinc/58/63/06/436586306.db2.gz HJALFCWJZYBATB-OAHLLOKOSA-N 0 0 333.436 0.567 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)c2cc(C)nc3c2c(=O)[nH]n3C)CC1 ZINC000106395257 436593395 /nfs/dbraw/zinc/59/33/95/436593395.db2.gz SYUAWICCLRDCIU-LBPRGKRZSA-N 0 0 347.419 0.099 10 0 ECAERN COc1cc2nc(C)n([C@@H]3CCC(=O)NC3=O)c(=O)c2cc1OC ZINC000059191396 436631763 /nfs/dbraw/zinc/63/17/63/436631763.db2.gz BJJPMDJZCMOFPZ-LLVKDONJSA-N 0 0 331.328 0.700 10 0 ECAERN CCn1cc(CN2CCCN(C(=O)NCCNC(C)=O)CC2)cn1 ZINC000112740070 436633886 /nfs/dbraw/zinc/63/38/86/436633886.db2.gz HNDVOSZUFVZKGX-UHFFFAOYSA-N 0 0 336.440 0.256 10 0 ECAERN COCCN(C)S(=O)(=O)N1CCc2c(nc(C(C)C)n2C)C1 ZINC000113299544 436637363 /nfs/dbraw/zinc/63/73/63/436637363.db2.gz YCPJUALTDIRGPZ-UHFFFAOYSA-N 0 0 330.454 0.725 10 0 ECAERN Cn1cnc2ncc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2c1=O ZINC000114229898 436640023 /nfs/dbraw/zinc/64/00/23/436640023.db2.gz VCUMVIHYQTXUCN-UHFFFAOYSA-N 0 0 346.391 0.781 10 0 ECAERN COC(=O)CNC(=O)[C@H](CC1CCOCC1)NC(=O)OC(C)(C)C ZINC000112950362 436634933 /nfs/dbraw/zinc/63/49/33/436634933.db2.gz FRRUALNISOLUPD-LBPRGKRZSA-N 0 0 344.408 0.986 10 0 ECAERN COC(=O)c1c(OCc2ccccc2)c(=O)ccn1C[C@@H](O)CO ZINC000115956914 436648679 /nfs/dbraw/zinc/64/86/79/436648679.db2.gz JUVSRACZYLMJQD-CYBMUJFWSA-N 0 0 333.340 0.567 10 0 ECAERN COCCN1CCN(C(=O)CNC(=O)c2cccs2)C[C@@H]1C ZINC000117290232 436656586 /nfs/dbraw/zinc/65/65/86/436656586.db2.gz IBAKSIYESTXOFT-LBPRGKRZSA-N 0 0 325.434 0.657 10 0 ECAERN Cc1nn(C)c(C)c1OCC(=O)N1CCC[C@H](Cn2cncn2)C1 ZINC000150777970 436690412 /nfs/dbraw/zinc/69/04/12/436690412.db2.gz SHKARZMCVZLDOJ-AWEZNQCLSA-N 0 0 332.408 0.946 10 0 ECAERN CC(C)(C)OC(=O)N1CC[C@H](C(=O)N[C@H]2CCc3ncnn3C2)C1 ZINC000151891785 436714863 /nfs/dbraw/zinc/71/48/63/436714863.db2.gz WYLWMNMABTYMAH-RYUDHWBXSA-N 0 0 335.408 0.966 10 0 ECAERN Cc1cnn(CCNC(=O)NCC(=O)N(C)CCc2ccccn2)c1 ZINC000118070578 436660587 /nfs/dbraw/zinc/66/05/87/436660587.db2.gz BXTLHJJLRWCPEQ-UHFFFAOYSA-N 0 0 344.419 0.587 10 0 ECAERN C[C@H](CNC(=O)C(=O)Nc1cccc(F)c1F)N1CCOCC1 ZINC000065557024 436668245 /nfs/dbraw/zinc/66/82/45/436668245.db2.gz KLZAKWLRRHTBLZ-SNVBAGLBSA-N 0 0 327.331 0.740 10 0 ECAERN O=C(N[C@H](Cc1ccccc1)C(=O)N1CCCC1)[C@H]1CNC(=O)C1 ZINC000194654848 436668427 /nfs/dbraw/zinc/66/84/27/436668427.db2.gz HTMGWNQAJXFKME-HUUCEWRRSA-N 0 0 329.400 0.472 10 0 ECAERN Cc1cc(C(=O)NC[C@H](O)CN2CCOCC2)nn1-c1ccccc1 ZINC000120408376 436685752 /nfs/dbraw/zinc/68/57/52/436685752.db2.gz UVNXXZQKVMFBSM-INIZCTEOSA-N 0 0 344.415 0.604 10 0 ECAERN C[C@@H](CNC(=O)NC[C@@]1(O)CCc2ccccc21)N1CCOCC1 ZINC000121634797 436720157 /nfs/dbraw/zinc/72/01/57/436720157.db2.gz ZYZPQBUKQHRUPA-KSSFIOAISA-N 0 0 333.432 0.840 10 0 ECAERN CN1CC(=O)N2CCN(Cc3nc4cc(F)ccc4[nH]3)C[C@@H]2C1=O ZINC000067756721 436721811 /nfs/dbraw/zinc/72/18/11/436721811.db2.gz XHRZJKHEAAMVAN-CYBMUJFWSA-N 0 0 331.351 0.187 10 0 ECAERN CN(C(=O)CCCS(C)(=O)=O)[C@H]1CCCN(c2cccnn2)C1 ZINC000122107825 436732368 /nfs/dbraw/zinc/73/23/68/436732368.db2.gz YRJNKLXFUMVMOH-ZDUSSCGKSA-N 0 0 340.449 0.729 10 0 ECAERN C[C@H](C(=O)N(C)[C@H]1CCCN(c2cccnn2)C1)S(C)(=O)=O ZINC000122645248 436736133 /nfs/dbraw/zinc/73/61/33/436736133.db2.gz YUTYUKKNZPRXDB-NEPJUHHUSA-N 0 0 326.422 0.337 10 0 ECAERN CN1C(=O)C[C@@H](C(=O)NCC(=O)NC2CC2)[C@H]1c1ccc(F)cc1 ZINC000124064561 436746941 /nfs/dbraw/zinc/74/69/41/436746941.db2.gz SFGGNZYWDGOTKB-CZUORRHYSA-N 0 0 333.363 0.740 10 0 ECAERN CN1CCO[C@@H]2CN(S(=O)(=O)c3cccc4ncccc43)C[C@@H]21 ZINC000128731218 436820051 /nfs/dbraw/zinc/82/00/51/436820051.db2.gz CFUOQRWEMJMJRG-LSDHHAIUSA-N 0 0 333.413 0.938 10 0 ECAERN CCn1cc(C2CCN(C(=O)NC[C@H]3CC[C@H](C(N)=O)O3)CC2)cn1 ZINC000154264316 436774951 /nfs/dbraw/zinc/77/49/51/436774951.db2.gz KMVCJNWDRIRLDZ-HUUCEWRRSA-N 0 0 349.435 0.825 10 0 ECAERN CC(C)(C)[C@@H](NC(=O)[C@H]1CNC(=O)C1)c1nc(-c2nc[nH]n2)no1 ZINC000154649179 436783067 /nfs/dbraw/zinc/78/30/67/436783067.db2.gz HLSKRPNERXCFPS-APPZFPTMSA-N 0 0 333.352 0.194 10 0 ECAERN C[C@H]1C[C@@H]1NC(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1 ZINC000154820262 436785686 /nfs/dbraw/zinc/78/56/86/436785686.db2.gz JSNJHDXLRNIXGI-GWCFXTLKSA-N 0 0 341.437 0.281 10 0 ECAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)c1ccc2c(c1)nnn2C ZINC000155138128 436790135 /nfs/dbraw/zinc/79/01/35/436790135.db2.gz LEJLGBAQJSKCNL-LLVKDONJSA-N 0 0 341.375 0.971 10 0 ECAERN C[C@H](O)CN1CCN(C(=O)C(=O)Nc2c(F)cccc2F)C[C@H]1C ZINC000247147364 436790172 /nfs/dbraw/zinc/79/01/72/436790172.db2.gz UBGGFAULBULAGV-MNOVXSKESA-N 0 0 341.358 0.817 10 0 ECAERN CN1CCO[C@@H](CNC(=O)C(=O)Nc2cnn(-c3ccccc3)c2)C1 ZINC000127017316 436796388 /nfs/dbraw/zinc/79/63/88/436796388.db2.gz XODLHACDOYROHB-HNNXBMFYSA-N 0 0 343.387 0.258 10 0 ECAERN CSCc1noc(CCC(=O)N2CC[C@H](N3CCOCC3)C2)n1 ZINC000131198697 436849034 /nfs/dbraw/zinc/84/90/34/436849034.db2.gz XYVDUGIUCGDOSU-LBPRGKRZSA-N 0 0 340.449 0.798 10 0 ECAERN CCc1ccc(S(C)(=O)=O)cc1C(=O)N[C@H]1CCc2ncnn2C1 ZINC000134536644 436897227 /nfs/dbraw/zinc/89/72/27/436897227.db2.gz FPJZIVOGXGWWGM-LBPRGKRZSA-N 0 0 348.428 0.989 10 0 ECAERN Cn1ncc(NCCC(=O)N2CCCC2)c(Br)c1=O ZINC000134571861 436900324 /nfs/dbraw/zinc/90/03/24/436900324.db2.gz OJDMXALMYGTBDJ-UHFFFAOYSA-N 0 0 329.198 0.967 10 0 ECAERN Cc1ncc(CN2CCN(C(=O)N[C@H]3CCN(C)C3=O)CC2)s1 ZINC000163843821 436927831 /nfs/dbraw/zinc/92/78/31/436927831.db2.gz NNYWFAWNWKYHMC-ZDUSSCGKSA-N 0 0 337.449 0.509 10 0 ECAERN CN1CCO[C@H](CNS(=O)(=O)c2ccccc2OC(F)F)C1 ZINC000171094513 436966247 /nfs/dbraw/zinc/96/62/47/436966247.db2.gz PTHONMPKCIGBFR-SNVBAGLBSA-N 0 0 336.360 0.897 10 0 ECAERN CC(=O)N[C@H]1CCCN(C(=O)NCCc2cccc(C(N)=O)c2)C1 ZINC000171084567 436966409 /nfs/dbraw/zinc/96/64/09/436966409.db2.gz DKOMQNYLSQCCCN-HNNXBMFYSA-N 0 0 332.404 0.638 10 0 ECAERN CCCC(=O)N[C@@H]1CCCN(C(=O)N[C@H]2CCc3nc(C)nn3C2)C1 ZINC000171083487 436967117 /nfs/dbraw/zinc/96/71/17/436967117.db2.gz ZVRDZDOLJQOYGS-KGLIPLIRSA-N 0 0 348.451 0.992 10 0 ECAERN O=C([C@@H]1CNC(=O)C1)N1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000170663074 436949129 /nfs/dbraw/zinc/94/91/29/436949129.db2.gz OJVMNTDQACFRNW-LBPRGKRZSA-N 0 0 341.371 0.974 10 0 ECAERN C[C@@H]1CCC[C@@H](NC(=O)N2CCO[C@H](C[N@H+](C)CC(=O)[O-])C2)C1 ZINC000263066663 436951252 /nfs/dbraw/zinc/95/12/52/436951252.db2.gz SQOAPRRVNACNFA-MGPQQGTHSA-N 0 0 327.425 0.992 10 0 ECAERN Cn1cc(CN2CCCN(C(=O)[C@H]3CC(F)(F)CN3)CC2)cn1 ZINC000263153319 436951831 /nfs/dbraw/zinc/95/18/31/436951831.db2.gz DFIAAHQAFUENSA-CYBMUJFWSA-N 0 0 327.379 0.452 10 0 ECAERN CCn1cc(CN2CCCN(C(=O)[C@@H]3CC(F)(F)CN3)CC2)cn1 ZINC000263154570 436954038 /nfs/dbraw/zinc/95/40/38/436954038.db2.gz DGWUBLIODUIXOH-AWEZNQCLSA-N 0 0 341.406 0.935 10 0 ECAERN C[C@H]1C[C@@H]1NC(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 ZINC000170814389 436954550 /nfs/dbraw/zinc/95/45/50/436954550.db2.gz WNQOMQYKEAMPEO-KBPBESRZSA-N 0 0 331.420 0.828 10 0 ECAERN CCS(=O)(=O)CCn1ccc(NC(=O)[C@@H]2CC(F)(F)CN2)n1 ZINC000263263131 436958724 /nfs/dbraw/zinc/95/87/24/436958724.db2.gz RFXPDDGATXKNGC-VIFPVBQESA-N 0 0 336.364 0.254 10 0 ECAERN C[C@H](NC(=O)NC[C@H]1CN(C)CCO1)c1ccc(-n2cncn2)cc1 ZINC000170920190 436960345 /nfs/dbraw/zinc/96/03/45/436960345.db2.gz OFDRJVVOVFWDGB-BBRMVZONSA-N 0 0 344.419 0.958 10 0 ECAERN Cn1cc(S(=O)(=O)N2CCO[C@H]3CCCC[C@@H]32)cc1C(N)=O ZINC000047266424 302918749 /nfs/dbraw/zinc/91/87/49/302918749.db2.gz WTBHXTPDUPRXAN-AAEUAGOBSA-N 0 0 327.406 0.456 10 0 ECAERN CCOCCS(=O)(=O)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000172021801 436995806 /nfs/dbraw/zinc/99/58/06/436995806.db2.gz KRVMAIQOQLTRSN-UHFFFAOYSA-N 0 0 330.454 0.294 10 0 ECAERN CC[C@@H](COC)NC(=O)N[C@@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000173257502 437042545 /nfs/dbraw/zinc/04/25/45/437042545.db2.gz SQHSTRVROGUUNO-QWHCGFSZSA-N 0 0 337.424 0.948 10 0 ECAERN Cc1nnc([C@@H]2CN(C(=O)CNC(=O)c3ccc(F)cc3)CCO2)[nH]1 ZINC000173755144 437061341 /nfs/dbraw/zinc/06/13/41/437061341.db2.gz CNNKDUIZVCFUBE-ZDUSSCGKSA-N 0 0 347.350 0.582 10 0 ECAERN O=C(c1cn(Cc2cccs2)nn1)N1CC[C@@H](N2CCOCC2)C1 ZINC000173764215 437062653 /nfs/dbraw/zinc/06/26/53/437062653.db2.gz PURKDKBYSFQPAJ-CYBMUJFWSA-N 0 0 347.444 0.935 10 0 ECAERN CC(=O)NCCCCCC(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000173802964 437063124 /nfs/dbraw/zinc/06/31/24/437063124.db2.gz ZUTWHFNTEZOFCR-HOCLYGCPSA-N 0 0 325.453 0.862 10 0 ECAERN Cc1nn(C)c(C)c1C(=O)C(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000173839716 437065616 /nfs/dbraw/zinc/06/56/16/437065616.db2.gz DKDPIGKYJCKESZ-RISCZKNCSA-N 0 0 334.420 0.399 10 0 ECAERN NC(=O)c1ccc(CNC(=O)N2CC[C@H](N3CCOCC3)C2)cc1 ZINC000173822227 437065657 /nfs/dbraw/zinc/06/56/57/437065657.db2.gz IRLVNPFQFFRRAG-HNNXBMFYSA-N 0 0 332.404 0.402 10 0 ECAERN CC(C)(C)[S@@](=O)CCNC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000173890816 437067507 /nfs/dbraw/zinc/06/75/07/437067507.db2.gz ZMICHLPUNPNGLV-XMHCIUCPSA-N 0 0 331.482 0.650 10 0 ECAERN COc1ccccc1CCNC(=O)CN1CC[C@@H](N2CCOCC2)C1 ZINC000173925474 437067610 /nfs/dbraw/zinc/06/76/10/437067610.db2.gz AIQPFVUHUBJMEB-QGZVFWFLSA-N 0 0 347.459 0.760 10 0 ECAERN Cc1cc(N2CCC[C@@H](NC(=O)NC[C@@H]3CCCO3)C2=O)n(C)n1 ZINC000174034353 437072926 /nfs/dbraw/zinc/07/29/26/437072926.db2.gz ZYTNTLHWLMFULZ-QWHCGFSZSA-N 0 0 335.408 0.702 10 0 ECAERN COc1ccccc1S(=O)(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000174001991 437073926 /nfs/dbraw/zinc/07/39/26/437073926.db2.gz NMIJZHWROHSZAQ-ZDUSSCGKSA-N 0 0 326.418 0.790 10 0 ECAERN CCCCCS(=O)(=O)CC(=O)N1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000174287615 437076680 /nfs/dbraw/zinc/07/66/80/437076680.db2.gz JAICANGUWVRXNM-UONOGXRCSA-N 0 0 334.482 0.505 10 0 ECAERN NC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCNC(=O)C1CCC1 ZINC000177009092 303280215 /nfs/dbraw/zinc/28/02/15/303280215.db2.gz HHUHXSMMRALOMV-HNNXBMFYSA-N 0 0 346.431 0.689 10 0 ECAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)C(C)(C)NS(C)(=O)=O)CC2 ZINC000175520362 437107153 /nfs/dbraw/zinc/10/71/53/437107153.db2.gz XKUZLTPTAUHLCZ-JTQLQIEISA-N 0 0 343.453 0.160 10 0 ECAERN CCc1cc(=O)[nH]c(CN2C[C@H](F)C[C@H]2C(=O)N2CCOCC2)n1 ZINC000299746049 437109980 /nfs/dbraw/zinc/10/99/80/437109980.db2.gz UYQKKIANIKCJHX-YPMHNXCESA-N 0 0 338.383 0.516 10 0 ECAERN CNc1cc(N2CCC[C@H]2CNS(=O)(=O)CCCF)ncn1 ZINC000175596513 437110530 /nfs/dbraw/zinc/11/05/30/437110530.db2.gz UIVLWKGOJBWMBV-NSHDSACASA-N 0 0 331.417 0.766 10 0 ECAERN CC(C)n1nnnc1C[S@](=O)CC(=O)NCc1cccs1 ZINC000176574117 437147912 /nfs/dbraw/zinc/14/79/12/437147912.db2.gz QNIOVOSXIXDMHZ-NRFANRHFSA-N 0 0 327.435 0.881 10 0 ECAERN CN(C(=O)c1cc(C(N)=O)c[nH]1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000176782663 437157723 /nfs/dbraw/zinc/15/77/23/437157723.db2.gz XJDUJQKFFVMKBZ-GFCCVEGCSA-N 0 0 328.376 0.645 10 0 ECAERN Cn1ncc(N2C[C@H]3OCCN(C)[C@H]3C2)c(Br)c1=O ZINC000301644130 437129410 /nfs/dbraw/zinc/12/94/10/437129410.db2.gz HHLMNXIFUWCGFQ-VHSXEESVSA-N 0 0 329.198 0.062 10 0 ECAERN C[C@H]1CN(C(=O)CC2(CS(C)(=O)=O)CC2)C[C@H]1N1CCOCC1 ZINC000176925618 437164756 /nfs/dbraw/zinc/16/47/56/437164756.db2.gz IGNXTJJTOKFQKA-UONOGXRCSA-N 0 0 344.477 0.380 10 0 ECAERN O=S1(=O)N=C(NCC2CCS(=O)(=O)CC2)c2ccccc21 ZINC000301846161 437134096 /nfs/dbraw/zinc/13/40/96/437134096.db2.gz MOSLUYDCPYFMRW-UHFFFAOYSA-N 0 0 328.415 0.550 10 0 ECAERN O=C(Nc1cccnc1)C(=O)N1CCC(Nc2cccnn2)CC1 ZINC000177965915 437203095 /nfs/dbraw/zinc/20/30/95/437203095.db2.gz UJRMWLVUNVGVFF-UHFFFAOYSA-N 0 0 326.360 0.913 10 0 ECAERN CNC(=O)[C@H](NC(=O)NCCN1c2ccccc2CC1=O)C(C)C ZINC000178435326 437214845 /nfs/dbraw/zinc/21/48/45/437214845.db2.gz DZPYIVKHTZMDFC-OAHLLOKOSA-N 0 0 332.404 0.646 10 0 ECAERN CNC(=O)[C@H](NC(=O)C(=O)c1cnn(-c2ccccc2)c1)C(C)C ZINC000178681644 437223312 /nfs/dbraw/zinc/22/33/12/437223312.db2.gz DJYAGPZGLABBNU-CQSZACIVSA-N 0 0 328.372 0.942 10 0 ECAERN Cc1cc(NC(=O)CN2C[C@@H](O)C[C@@H]2CO)n(-c2ccc(F)cc2)n1 ZINC000179171361 437253504 /nfs/dbraw/zinc/25/35/04/437253504.db2.gz ITWXYVUQUXGSOL-CABCVRRESA-N 0 0 348.378 0.686 10 0 ECAERN NC(=O)c1ccc(-c2nc(CN3C[C@@H](O)C[C@@H]3CO)cs2)cc1 ZINC000179172983 437253630 /nfs/dbraw/zinc/25/36/30/437253630.db2.gz GSPAHIZFAPMIPF-KGLIPLIRSA-N 0 0 333.413 0.837 10 0 ECAERN NC(=O)[C@H]1COCCN1C[C@@H](O)COCc1ccc(Cl)cc1 ZINC000179726381 437274501 /nfs/dbraw/zinc/27/45/01/437274501.db2.gz HSUBJILKDVSIDG-ZIAGYGMSSA-N 0 0 328.796 0.404 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)C(=O)Nc1cccnc1Cl)CC2 ZINC000179844678 437276060 /nfs/dbraw/zinc/27/60/60/437276060.db2.gz PGAASVIDDAZZMP-VIFPVBQESA-N 0 0 348.794 0.959 10 0 ECAERN Cc1nnc([C@H]2CN(C(=O)C(=O)Nc3ccc(F)cc3)CCO2)[nH]1 ZINC000180225890 437282836 /nfs/dbraw/zinc/28/28/36/437282836.db2.gz LOKCLIYKFSIBDE-GFCCVEGCSA-N 0 0 333.323 0.791 10 0 ECAERN Cc1ccc(NC(=O)C(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)cn1 ZINC000180259414 437284340 /nfs/dbraw/zinc/28/43/40/437284340.db2.gz CCVHGPQSWDXHAL-IUODEOHRSA-N 0 0 332.404 0.508 10 0 ECAERN C[C@H]1CN(C(=O)C(=O)Nc2ccccc2F)C[C@H]1N1CCOCC1 ZINC000180259651 437284773 /nfs/dbraw/zinc/28/47/73/437284773.db2.gz OPECNAOYQRCVEX-SWLSCSKDSA-N 0 0 335.379 0.943 10 0 ECAERN NC(=O)[C@H]1COCCN1C(=O)c1ccn(-c2cccc(Cl)c2)n1 ZINC000180272511 437285519 /nfs/dbraw/zinc/28/55/19/437285519.db2.gz LYIGWZJQBVTKIB-CYBMUJFWSA-N 0 0 334.763 0.852 10 0 ECAERN CC(C)NS(=O)(=O)CCNC(=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000182521673 437352289 /nfs/dbraw/zinc/35/22/89/437352289.db2.gz FAASKUWJUZITIR-CYBMUJFWSA-N 0 0 343.453 0.974 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)c2ccccc2-n2ccnn2)CC1 ZINC000182646535 437356900 /nfs/dbraw/zinc/35/69/00/437356900.db2.gz VECITSDUSWWSCX-AWEZNQCLSA-N 0 0 329.404 0.796 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)N[C@H]2CCN(C(C)C)C2=O)CC1 ZINC000181768324 437330313 /nfs/dbraw/zinc/33/03/13/437330313.db2.gz DWBWRUWOIQNCTA-KGLIPLIRSA-N 0 0 326.441 0.094 10 0 ECAERN C[C@@H](c1nccs1)N1CCN(C[C@@H](O)CN2CCCC2=O)CC1 ZINC000184620484 437408661 /nfs/dbraw/zinc/40/86/61/437408661.db2.gz RGMAPQXHLMQUFJ-UONOGXRCSA-N 0 0 338.477 0.805 10 0 ECAERN CC[C@@H]1CCCC[C@H]1OCC(=O)NC[C@H](O)CN1CCOCC1 ZINC000184760883 437411859 /nfs/dbraw/zinc/41/18/59/437411859.db2.gz HTDVGRGVXZNRGK-OWCLPIDISA-N 0 0 328.453 0.781 10 0 ECAERN CN(CC(C)(C)CN1CCOCC1)C(=O)NCC(=O)NCC1CC1 ZINC000183801229 437390738 /nfs/dbraw/zinc/39/07/38/437390738.db2.gz JNFWMKJUUHGEIA-UHFFFAOYSA-N 0 0 340.468 0.512 10 0 ECAERN COCC(=O)NC1CN(C(=O)c2cccc(Br)n2)C1 ZINC000186309054 437469898 /nfs/dbraw/zinc/46/98/98/437469898.db2.gz JQMCPOAOPFCXSR-UHFFFAOYSA-N 0 0 328.166 0.431 10 0 ECAERN O=C(CCNC(=O)N1CC(NC(=O)C2CC2)C1)N1CCCCCC1 ZINC000186697214 437482098 /nfs/dbraw/zinc/48/20/98/437482098.db2.gz UFNSBESCTOWAPV-UHFFFAOYSA-N 0 0 336.436 0.699 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)c1ccc3nnn(C)c3c1)CC2 ZINC000185245351 437432095 /nfs/dbraw/zinc/43/20/95/437432095.db2.gz ZKWHSNNHUJURSG-LLVKDONJSA-N 0 0 325.376 0.867 10 0 ECAERN COCC(=O)NC1CN(C(=O)CCc2nc(-c3ccco3)no2)C1 ZINC000185230066 437432585 /nfs/dbraw/zinc/43/25/85/437432585.db2.gz DAQXLQQSGQRXTO-UHFFFAOYSA-N 0 0 334.332 0.236 10 0 ECAERN COCC(=O)NC1CN(C(=O)c2ccc(-n3cc(C)cn3)cc2)C1 ZINC000185263530 437433117 /nfs/dbraw/zinc/43/31/17/437433117.db2.gz PFFRKYWFMNOHSX-UHFFFAOYSA-N 0 0 328.372 0.768 10 0 ECAERN CCc1nnc([C@H]2CN(C(=O)c3ccc4nnn(C)c4c3)CCO2)[nH]1 ZINC000185361318 437435746 /nfs/dbraw/zinc/43/57/46/437435746.db2.gz YKNBMMYOECJYQE-CYBMUJFWSA-N 0 0 341.375 0.863 10 0 ECAERN O=S(=O)(Cc1noc2ccccc12)N[C@@H]1CCc2ncnn2C1 ZINC000185793303 437451795 /nfs/dbraw/zinc/45/17/95/437451795.db2.gz XBIQRJZLQGQORQ-SNVBAGLBSA-N 0 0 333.373 0.854 10 0 ECAERN CNS(=O)(=O)CCNC(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000187296615 437498858 /nfs/dbraw/zinc/49/88/58/437498858.db2.gz GKMYZIWMOJWRCK-DTWKUNHWSA-N 0 0 331.360 0.956 10 0 ECAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCCOc1ccc(Cl)cc1 ZINC000188454959 437549474 /nfs/dbraw/zinc/54/94/74/437549474.db2.gz OFFOPCZYAPNILJ-TZMCWYRMSA-N 0 0 326.780 0.817 10 0 ECAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000188469925 437551482 /nfs/dbraw/zinc/55/14/82/437551482.db2.gz RTSKDIHNKIIKJF-KZNAEPCWSA-N 0 0 345.443 0.921 10 0 ECAERN CC(=O)NC1CN(C(=O)[C@@H](Cc2cccc(F)c2)n2nnnc2C)C1 ZINC000190473673 437627274 /nfs/dbraw/zinc/62/72/74/437627274.db2.gz ZUFKBOFDMNIMAL-OAHLLOKOSA-N 0 0 346.366 0.251 10 0 ECAERN Cn1ccc2cccc(NC(=O)C(=O)N[C@@H]3CCc4ncnn4C3)c21 ZINC000190552374 437631189 /nfs/dbraw/zinc/63/11/89/437631189.db2.gz ZGNWMZSQGQAYPI-GFCCVEGCSA-N 0 0 338.371 0.840 10 0 ECAERN CC(C)c1noc2ncc(C(=O)NC[C@@H](O)CN3CCOCC3)cc21 ZINC000192708148 437689055 /nfs/dbraw/zinc/68/90/55/437689055.db2.gz ZUVQSUCKFPWQOA-CYBMUJFWSA-N 0 0 348.403 0.769 10 0 ECAERN CNC(=O)[C@H](NC(=O)C(=O)Nc1nc2c(s1)CCCC2)C(C)C ZINC000193201591 437701921 /nfs/dbraw/zinc/70/19/21/437701921.db2.gz DMMQBKDSXHMIEM-LLVKDONJSA-N 0 0 338.433 0.847 10 0 ECAERN CCN1CCN(C2CCN(C(=O)[C@H](O)c3cccnc3)CC2)C1=O ZINC000371764777 437988162 /nfs/dbraw/zinc/98/81/62/437988162.db2.gz HMKVNYJPSKLWNC-OAHLLOKOSA-N 0 0 332.404 0.864 10 0 ECAERN CCCCN1CCOC[C@@H]1C(=O)N1C[C@H](C)O[C@]2(CCOC2)C1 ZINC000366546848 438091880 /nfs/dbraw/zinc/09/18/80/438091880.db2.gz PZVANTXVOLXFTC-ZMSDIMECSA-N 0 0 326.437 0.894 10 0 ECAERN CCCC(=O)N1CSC[C@H]1C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000369688392 438506623 /nfs/dbraw/zinc/50/66/23/438506623.db2.gz NOZSTTIPWFVCRJ-KGLIPLIRSA-N 0 0 341.477 0.621 10 0 ECAERN Cc1c(C(=O)Nc2nnnn2C)ccc(Cl)c1S(C)(=O)=O ZINC000584592300 439603948 /nfs/dbraw/zinc/60/39/48/439603948.db2.gz YMNRRNBLPLYSDL-UHFFFAOYSA-N 0 0 329.769 0.828 10 0 ECAERN CCOC(=O)c1ccccc1[C@@H]1COCCCN1S(N)(=O)=O ZINC000616597132 439820654 /nfs/dbraw/zinc/82/06/54/439820654.db2.gz AANVJXWFFDDGLD-ZDUSSCGKSA-N 0 0 328.390 0.830 10 0 ECAERN O=C(N[C@H]1C[C@@H](O)[C@@H]1n1cccn1)c1ccc(N2CCCC2)nc1 ZINC000616771071 439822023 /nfs/dbraw/zinc/82/20/23/439822023.db2.gz NQKATGWAGMGMHC-SQWLQELKSA-N 0 0 327.388 0.983 10 0 ECAERN O=C(N[C@H]1C[C@@H](O)[C@@H]1n1cccn1)c1ccccc1Cn1cncn1 ZINC000616772167 439822069 /nfs/dbraw/zinc/82/20/69/439822069.db2.gz KEZKPWNHHDQEBD-ARFHVFGLSA-N 0 0 338.371 0.627 10 0 ECAERN O=C(CN1C(=O)CCc2ccccc21)N[C@H]1C[C@@H](O)[C@@H]1n1cccn1 ZINC000616770719 439822170 /nfs/dbraw/zinc/82/21/70/439822170.db2.gz HVXWCSYOUNNJAY-JCKWVBRZSA-N 0 0 340.383 0.653 10 0 ECAERN Cc1ncc(NC(=O)N2C[C@@H](O)[C@H](n3ccnn3)C2)c(C2CC2)n1 ZINC000626552256 439836325 /nfs/dbraw/zinc/83/63/25/439836325.db2.gz NQENDBBYJYCSSS-CHWSQXEVSA-N 0 0 329.364 0.704 10 0 ECAERN NC(=O)C[C@H](N)C(=O)NCc1cc(Cl)ccc1Br ZINC000648188067 440256014 /nfs/dbraw/zinc/25/60/14/440256014.db2.gz QCWYFHPXZPORKE-VIFPVBQESA-N 0 0 334.601 0.921 10 0 ECAERN CNC(=O)C[C@@H]1CS(=O)(=O)CCN1C(=O)c1cc(Cl)cn1C ZINC000644174546 440463424 /nfs/dbraw/zinc/46/34/24/440463424.db2.gz JSKZQDGNQNUJEL-SNVBAGLBSA-N 0 0 347.824 0.054 10 0 ECAERN O=C(N[C@H]1CCC(=O)N[C@@H]1[C@@H]1CCCO1)c1[nH]ncc1C(F)(F)F ZINC000633127989 440456624 /nfs/dbraw/zinc/45/66/24/440456624.db2.gz NXOKWXKWIPUQKT-AUTRQRHGSA-N 0 0 346.309 0.985 10 0 ECAERN CCn1ccnc1[C@@H]1OCCC[C@H]1C(=O)N1CCN(CCO)CC1 ZINC000666190714 440595413 /nfs/dbraw/zinc/59/54/13/440595413.db2.gz UTZYSNDBNJGJKW-HUUCEWRRSA-N 0 0 336.436 0.507 10 0 ECAERN CCC(=O)N1CC[C@H](NC(=O)N2CCN(C[C@@H](O)CC)CC2)C1 ZINC000181999944 320528855 /nfs/dbraw/zinc/52/88/55/320528855.db2.gz NJEMZKDOMPAZIM-KBPBESRZSA-N 0 0 326.441 0.095 10 0 ECAERN CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000189377302 320539302 /nfs/dbraw/zinc/53/93/02/320539302.db2.gz UQGDKEGOUNIEDH-QGZVFWFLSA-N 0 0 341.411 0.697 10 0 ECAERN CCCN(C(=O)C[C@H](C)N1CCCCC1=O)[C@H]1CC(=O)N(C)C1=O ZINC000328694307 320727724 /nfs/dbraw/zinc/72/77/24/320727724.db2.gz SLYFJTUCAROTBA-STQMWFEESA-N 0 0 337.420 0.773 10 0 ECAERN Cn1ncc2c1ncn(CC(=O)N1CCC[C@@H](n3cccn3)C1)c2=O ZINC000328725624 320729452 /nfs/dbraw/zinc/72/94/52/320729452.db2.gz ZELUVYIIAVOIAE-GFCCVEGCSA-N 0 0 341.375 0.190 10 0 ECAERN C[C@H](CC(=O)N1CCO[C@@H](Cn2cccn2)C1)N1CCCCC1=O ZINC000328776117 320732192 /nfs/dbraw/zinc/73/21/92/320732192.db2.gz SLQZVZBWBHKPGU-HUUCEWRRSA-N 0 0 334.420 0.902 10 0 ECAERN CCNS(=O)(=O)[C@@H]1CCN(C(=O)C[C@@H]2CCCCNC2=O)C1 ZINC000328877467 320738208 /nfs/dbraw/zinc/73/82/08/320738208.db2.gz UAQGYPKFMFFERP-NWDGAFQWSA-N 0 0 331.438 0.673 10 0 ECAERN O=C(c1cnn2ccncc12)N1CSC[C@H]1C(=O)N1CCCC1 ZINC000329342069 320767307 /nfs/dbraw/zinc/76/73/07/320767307.db2.gz SLVVCLNFYHQOND-ZDUSSCGKSA-N 0 0 331.401 0.867 10 0 ECAERN O=C(C1CCCC1)N1CCC[C@@H]1C(=O)N1CCCS(=O)(=O)CC1 ZINC000329377229 320768711 /nfs/dbraw/zinc/76/87/11/320768711.db2.gz OLVOMIULZOZUIE-CQSZACIVSA-N 0 0 342.461 0.815 10 0 ECAERN O=C([C@@H]1OC[C@@H]2COCC[C@H]12)N1CCN(c2ccccc2)C(=O)C1 ZINC000329605551 320781140 /nfs/dbraw/zinc/78/11/40/320781140.db2.gz ZKPKRZMGKOQKTD-JLJPHGGASA-N 0 0 330.384 0.913 10 0 ECAERN CO[C@H]1C[C@H](C(=O)N2CC[C@H](Oc3ccncc3)C2)N(C(C)=O)C1 ZINC000329879220 320793368 /nfs/dbraw/zinc/79/33/68/320793368.db2.gz LYGKNSWRVAEZAK-HRCADAONSA-N 0 0 333.388 0.697 10 0 ECAERN Cc1nnc(N2C[C@@H](F)C[C@H]2CN(C)C(=O)C2(O)CCOCC2)o1 ZINC000329928986 320796230 /nfs/dbraw/zinc/79/62/30/320796230.db2.gz NAUVPFODJPRMJK-RYUDHWBXSA-N 0 0 342.371 0.295 10 0 ECAERN Cc1noc([C@@H]2CC[C@H](CNC(=O)N[C@H](C)Cn3cncn3)O2)n1 ZINC000333503115 320919299 /nfs/dbraw/zinc/91/92/99/320919299.db2.gz CYCHOGDGOQQSGZ-JLLWLGSASA-N 0 0 335.368 0.578 10 0 ECAERN O=C(CCC(=O)c1cccs1)NC[C@H](O)CN1CCOCC1 ZINC000154104783 534318042 /nfs/dbraw/zinc/31/80/42/534318042.db2.gz OILZAVFDWIAHSX-LBPRGKRZSA-N 0 0 326.418 0.520 10 0 ECAERN O=C(NCCc1ccc(OCC(F)(F)F)nc1)[C@@H]1CNC(=O)C1 ZINC000186417462 534461103 /nfs/dbraw/zinc/46/11/03/534461103.db2.gz RUFMRUPGTLCKTR-JTQLQIEISA-N 0 0 331.294 0.818 10 0 ECAERN CC(=O)NC1CN(C(=O)C(=O)Nc2ccccc2N2CCCC2)C1 ZINC000191345404 526705155 /nfs/dbraw/zinc/70/51/55/526705155.db2.gz LDPBFLSUNCKRQO-UHFFFAOYSA-N 0 0 330.388 0.572 10 0 ECAERN CC(=O)NC1CN(C(=O)C(=O)Nc2cnn(Cc3ccccc3)c2)C1 ZINC000191349278 526705622 /nfs/dbraw/zinc/70/56/22/526705622.db2.gz WYDDCLGOOASKBV-UHFFFAOYSA-N 0 0 341.371 0.217 10 0 ECAERN CC(=O)NC1CN(C(=O)C[C@H]2CN(Cc3ccccc3)CCO2)C1 ZINC000191481089 526705897 /nfs/dbraw/zinc/70/58/97/526705897.db2.gz QXXXEHUVHAQOKC-KRWDZBQOSA-N 0 0 331.416 0.624 10 0 ECAERN CC(=O)NC1CN(C(=O)NCc2ccccc2CN2CCCC2=O)C1 ZINC000189806178 526710361 /nfs/dbraw/zinc/71/03/61/526710361.db2.gz WYJZHDAXLWBDSG-UHFFFAOYSA-N 0 0 344.415 0.839 10 0 ECAERN CC(=O)N[C@H](CC(=O)N1CC(NC(C)=O)C1)c1ccc(F)cc1F ZINC000191503965 526882161 /nfs/dbraw/zinc/88/21/61/526882161.db2.gz DNBSMCQYRBWQDB-OAHLLOKOSA-N 0 0 339.342 0.879 10 0 ECAERN CCN(CC)c1ccc(C(=O)NC[C@@H](O)CN2CCOCC2)cc1 ZINC000154113202 528296744 /nfs/dbraw/zinc/29/67/44/528296744.db2.gz IXSLPCVKDHEMCD-QGZVFWFLSA-N 0 0 335.448 0.956 10 0 ECAERN C[C@H](CNC(=O)NCCCOCC(F)(F)F)N1CCOCC1 ZINC000077793264 545693699 /nfs/dbraw/zinc/69/36/99/545693699.db2.gz HCXYVNLCQIPTJO-LLVKDONJSA-N 0 0 327.347 0.975 10 0 ECAERN Cn1c(CO)nnc1CC1CCN(c2ncnc3nc[nH]c32)CC1 ZINC000082106750 545705387 /nfs/dbraw/zinc/70/53/87/545705387.db2.gz NHWLCKHBPFYYPW-UHFFFAOYSA-N 0 0 328.380 0.433 10 0 ECAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)c1ccc(C)c(S(N)(=O)=O)c1 ZINC000082976510 545706270 /nfs/dbraw/zinc/70/62/70/545706270.db2.gz JSRALGRSVYJQBF-GFCCVEGCSA-N 0 0 349.416 0.807 10 0 ECAERN CS(=O)(=O)N1CCCC[C@@H]1C(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000127601145 545775938 /nfs/dbraw/zinc/77/59/38/545775938.db2.gz OCXHDATVNNKUAS-IIAWOOMASA-N 0 0 344.477 0.954 10 0 ECAERN CNC(=O)[C@H]1CCCN1C(=O)NCCNC(=O)c1ccc(F)cc1 ZINC000156555957 545836658 /nfs/dbraw/zinc/83/66/58/545836658.db2.gz RCPDGCHWAPKCDW-CYBMUJFWSA-N 0 0 336.367 0.476 10 0 ECAERN CC(C)(C)n1cc(NC(=O)C(=O)N2CC(NC(=O)C3CCC3)C2)cn1 ZINC000188020133 545901988 /nfs/dbraw/zinc/90/19/88/545901988.db2.gz ULPZQGSFYWSRJU-UHFFFAOYSA-N 0 0 347.419 0.704 10 0 ECAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CCN(C)C[C@@H]1c1ccccc1 ZINC000188518457 545903269 /nfs/dbraw/zinc/90/32/69/545903269.db2.gz PUCXOPCZFWVACH-BRWVUGGUSA-N 0 0 331.416 0.483 10 0 ECAERN CC(C)CO[C@H](C)c1noc(CN(C)C(=O)[C@@H]2COCCN2)n1 ZINC000236639322 545927882 /nfs/dbraw/zinc/92/78/82/545927882.db2.gz IXAHBRGZLDIHAU-NEPJUHHUSA-N 0 0 326.397 0.750 10 0 ECAERN O=S(=O)(CC[C@H]1CCCO1)N1CCC[C@H](Cn2cncn2)C1 ZINC000245524414 545937020 /nfs/dbraw/zinc/93/70/20/545937020.db2.gz NNMQCAMXXRFUDD-ZIAGYGMSSA-N 0 0 328.438 0.889 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)N1CCO[C@H]([C@H]3CCCO3)C1)CC2 ZINC000246491321 545939911 /nfs/dbraw/zinc/93/99/11/545939911.db2.gz RJIKMTPJYAJKJJ-MCIONIFRSA-N 0 0 349.435 0.745 10 0 ECAERN CCn1cc(O[C@@H]2CN(c3cc4nncn4c(C)n3)C[C@H]2O)cn1 ZINC000624420776 546921965 /nfs/dbraw/zinc/92/19/65/546921965.db2.gz YIOCPPUGTJPAJC-CHWSQXEVSA-N 0 0 329.364 0.278 10 0 ECAERN CCn1cc(O[C@@H]2CN(c3cc(C)nc(COC)n3)C[C@H]2O)cn1 ZINC000624420628 546922283 /nfs/dbraw/zinc/92/22/83/546922283.db2.gz PGFSMPGGPMMSMP-ZIAGYGMSSA-N 0 0 333.392 0.776 10 0 ECAERN Cn1cc(O[C@@H]2CN(Cc3ncn(-c4ccccc4)n3)C[C@H]2O)cn1 ZINC000625628464 547181218 /nfs/dbraw/zinc/18/12/18/547181218.db2.gz YUUYPORZZRBAFF-HZPDHXFCSA-N 0 0 340.387 0.625 10 0 ECAERN CCc1ccccc1S(=O)(=O)N1CC[C@](O)(Cn2ccnn2)C1 ZINC000671432038 548147580 /nfs/dbraw/zinc/14/75/80/548147580.db2.gz VISLILWZDXZESW-HNNXBMFYSA-N 0 0 336.417 0.666 10 0 ECAERN Cc1ccn(-c2ccc(N3CC[C@@](O)(Cn4ccnn4)C3)nn2)n1 ZINC000671466862 548154215 /nfs/dbraw/zinc/15/42/15/548154215.db2.gz QIUWOGYBIULSRX-HNNXBMFYSA-N 0 0 326.364 0.204 10 0 ECAERN O=C([O-])[C@H]1C[NH2+]C[C@@H]1c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000757192788 579459923 /nfs/dbraw/zinc/45/99/23/579459923.db2.gz NGJKLLYCHLEERN-KGLIPLIRSA-N 0 0 340.401 0.095 10 0 ECAERN Cc1ccccc1CNC(=O)CN1CCC[C@@](O)(c2cn[nH]n2)C1 ZINC000794048353 578570236 /nfs/dbraw/zinc/57/02/36/578570236.db2.gz KVTKPZZOFVVVES-KRWDZBQOSA-N 0 0 329.404 0.713 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)c2cc([C@H]3CCCN3C)[nH]n2)CC1 ZINC000896210900 586227585 /nfs/dbraw/zinc/22/75/85/586227585.db2.gz OXLNSIVRGZNMQI-XJKSGUPXSA-N 0 0 335.452 0.705 10 0 ECAERN Cn1nccc1S(=O)(=O)N[C@@H]1CCC(=O)N[C@H]1c1ccccc1 ZINC000888093213 586348307 /nfs/dbraw/zinc/34/83/07/586348307.db2.gz DARJYDBMKDORGB-DOMZBBRYSA-N 0 0 334.401 0.718 10 0 ECAERN O=C(c1cn([C@@H]2COC[C@H]2O)nn1)N1CCOc2ccccc2C1 ZINC000888093525 586348376 /nfs/dbraw/zinc/34/83/76/586348376.db2.gz CINAJYDGBDOSJQ-ZIAGYGMSSA-N 0 0 330.344 0.245 10 0 ECAERN COc1ccc(C(=O)N2CC(N3CCOC[C@@H]3c3nc(C)no3)C2)o1 ZINC000888094198 586348403 /nfs/dbraw/zinc/34/84/03/586348403.db2.gz WDDXSBKPYOFDOD-GFCCVEGCSA-N 0 0 348.359 0.878 10 0 ECAERN Cc1c(C(=O)N[C@@H]2CCCC[C@@H]2Cc2nn(C)c(=O)n2C)cnn1C ZINC000888099378 586350379 /nfs/dbraw/zinc/35/03/79/586350379.db2.gz WNFDMYXMQCWMAZ-TZMCWYRMSA-N 0 0 346.435 0.692 10 0 ECAERN Cc1ncoc1C(=O)N[C@@H]1CCCC[C@@H]1Cc1nn(C)c(=O)n1C ZINC000888099099 586350503 /nfs/dbraw/zinc/35/05/03/586350503.db2.gz RRIILINSAFBNKN-VXGBXAGGSA-N 0 0 333.392 0.947 10 0 ECAERN Cc1noc(CN2C[C@H](C(=O)N3CCOCC3)[C@@H](C(F)(F)F)C2)n1 ZINC000888103091 586350633 /nfs/dbraw/zinc/35/06/33/586350633.db2.gz GBICYKLPJAHUGT-QWRGUYRKSA-N 0 0 348.325 0.847 10 0 ECAERN O=C(C[C@H]1NC(=O)c2ccccc21)N[C@H]1C[C@@H](O)[C@@H]1n1cccn1 ZINC000898447475 586424887 /nfs/dbraw/zinc/42/48/87/586424887.db2.gz ZJYITLWVDFFAIJ-HLPPOEQASA-N 0 0 326.356 0.548 10 0 ECAERN CCn1cc(CN2CCCN(C(=O)c3cn(C)c(=O)n3C)CC2)cn1 ZINC000900594829 586645310 /nfs/dbraw/zinc/64/53/10/586645310.db2.gz SMSVLBPMFRDQEJ-UHFFFAOYSA-N 0 0 346.435 0.288 10 0 ECAERN COCCN1CCN(C(=O)CCN2C(=O)C(C)=C(C)C2=O)C[C@H]1C ZINC000900743184 586661726 /nfs/dbraw/zinc/66/17/26/586661726.db2.gz BCYDUFAXFCVRSD-GFCCVEGCSA-N 0 0 337.420 0.261 10 0 ECAERN CN1CCO[C@@H](C(=O)NC2(c3noc(C4CC4)n3)CCCC2)C1=O ZINC000900944919 586678136 /nfs/dbraw/zinc/67/81/36/586678136.db2.gz XVCZUKUMMSNZDB-NSHDSACASA-N 0 0 334.376 0.690 10 0 ECAERN COC(=O)CN1CCN(C(=O)C2C[C@H]3CSC[C@@H](C2)C3=O)CC1 ZINC000907512460 586731290 /nfs/dbraw/zinc/73/12/90/586731290.db2.gz CDKICSNTNIERME-YHWZYXNKSA-N 0 0 340.445 0.262 10 0 ECAERN Cn1ccnc(N2CCC[C@](O)(Cc3nc(C4CC4)no3)C2)c1=O ZINC000818144871 587408497 /nfs/dbraw/zinc/40/84/97/587408497.db2.gz IUNXBKYRJJGAOJ-INIZCTEOSA-N 0 0 331.376 0.615 10 0 ECAERN CCOCCN1CCN(CC(=O)Nc2ccccc2C(N)=O)C[C@@H]1C ZINC000105835135 589140544 /nfs/dbraw/zinc/14/05/44/589140544.db2.gz OYAWDAWFLTZHTJ-AWEZNQCLSA-N 0 0 348.447 0.767 10 0 ECAERN COc1nccnc1CN1CC(N2C[C@H](c3nc(C)no3)CC2=O)C1 ZINC000864310017 590068619 /nfs/dbraw/zinc/06/86/19/590068619.db2.gz CHVSMAUJALTWCI-LLVKDONJSA-N 0 0 344.375 0.377 10 0 ECAERN C[C@@H]1CN(Cn2nc3n(c2=S)CCCCC3)C[C@@H](C(N)=O)O1 ZINC000120305224 590117151 /nfs/dbraw/zinc/11/71/51/590117151.db2.gz AFLUPSKZWHCBAB-MNOVXSKESA-N 0 0 325.438 0.673 10 0 ECAERN C[C@@H]1CN(Cn2nc(-c3ccco3)n(C)c2=S)C[C@@H](C(N)=O)O1 ZINC000120298863 590117163 /nfs/dbraw/zinc/11/71/63/590117163.db2.gz OAKHEAXLBXWEAE-KOLCDFICSA-N 0 0 337.405 0.743 10 0 ECAERN CCN1CCO[C@@H](CNC(=O)c2ccncn2)[C@@H]1c1nccn1C ZINC000886027150 590786987 /nfs/dbraw/zinc/78/69/87/590786987.db2.gz JTNKVHXSZBFPOM-UONOGXRCSA-N 0 0 330.392 0.402 10 0 ECAERN Cc1cc(C(=O)NC[C@@H]2OCCN(C)[C@H]2c2ccnn2C)cc(=O)[nH]1 ZINC000886027117 590787167 /nfs/dbraw/zinc/78/71/67/590787167.db2.gz GJBKGWZPPBSBMB-HOCLYGCPSA-N 0 0 345.403 0.631 10 0 ECAERN O=C1N[C@H](Cc2cn(CCO)nn2)C(=O)N1C/C=C\c1ccccc1 ZINC000886054666 590789213 /nfs/dbraw/zinc/78/92/13/590789213.db2.gz FVJKGWUDBYAEHL-IJVDHGTGSA-N 0 0 341.371 0.447 10 0 ECAERN Cc1c(CC(=O)NC[C@@H]2OCCN(C)[C@H]2c2ccnn2C)cnn1C ZINC000886079948 590791724 /nfs/dbraw/zinc/79/17/24/590791724.db2.gz FNDIJVBWTRAXIV-RDJZCZTQSA-N 0 0 346.435 0.193 10 0 ECAERN Nc1ccc([C@H]2CCCN2Cc2nnnn2CC(F)(F)F)nn1 ZINC000886080468 590792473 /nfs/dbraw/zinc/79/24/73/590792473.db2.gz TTYQWUPXKMIEOE-SECBINFHSA-N 0 0 328.302 0.945 10 0 ECAERN Cc1nnc([C@H]2CN(C(=O)c3ccn(CC(F)F)n3)CCO2)[nH]1 ZINC000194220315 608607615 /nfs/dbraw/zinc/60/76/15/608607615.db2.gz CFQRMENWKRMGPN-SNVBAGLBSA-N 0 0 326.307 0.788 10 0 ECAERN CNC(=O)[C@H](NC(=O)NCc1cccnc1-n1ccnc1)C(C)C ZINC000178453743 608792396 /nfs/dbraw/zinc/79/23/96/608792396.db2.gz LGRRCXHHJZAIEN-CYBMUJFWSA-N 0 0 330.392 0.837 10 0 ECAERN C[C@H](C(=O)NC[C@H](O)CN1CCOCC1)N1CCc2ccccc21 ZINC000179478828 608920728 /nfs/dbraw/zinc/92/07/28/608920728.db2.gz VPKSFLRYUWMAAA-ZBFHGGJFSA-N 0 0 333.432 0.247 10 0 ECAERN C[C@H]1NC(=O)CC[C@@H]1NC(=O)c1cccn1CCN1CCOCC1 ZINC000908004375 609635324 /nfs/dbraw/zinc/63/53/24/609635324.db2.gz RWNHPMZJHFHNDC-KGLIPLIRSA-N 0 0 334.420 0.217 10 0 ECAERN CC(C)(C)OC(=O)[C@]1(C(=O)N2CC(N3CCNC3=O)C2)CCCO1 ZINC000908185800 609646546 /nfs/dbraw/zinc/64/65/46/609646546.db2.gz FUJALKXJUVNHJG-MRXNPFEDSA-N 0 0 339.392 0.113 10 0 ECAERN Cn1c2[nH]c(CNC(=O)C=Cc3cccs3)nc2c(=O)n(C)c1=O ZINC000222463841 609701818 /nfs/dbraw/zinc/70/18/18/609701818.db2.gz YSPPKJDQQUHKHQ-WAYWQWQTSA-N 0 0 345.384 0.351 10 0 ECAERN CCN(CCS(C)(=O)=O)Cn1cnc2c1ncnc2NC(C)C ZINC000156924086 609706282 /nfs/dbraw/zinc/70/62/82/609706282.db2.gz GFOHWCVOVQSDDV-UHFFFAOYSA-N 0 0 340.453 0.971 10 0 ECAERN Cc1nc(CC(=O)N2CCN(c3ncccn3)CC2)c(C)c(=O)n1C ZINC000222932363 609706452 /nfs/dbraw/zinc/70/64/52/609706452.db2.gz IAFPGUDCALBREX-UHFFFAOYSA-N 0 0 342.403 0.078 10 0 ECAERN O=C(COCC(=O)N1CCc2ccccc2C1)NCC1(CO)CC1 ZINC000223228208 609708838 /nfs/dbraw/zinc/70/88/38/609708838.db2.gz NOSDJLDJCOTAGM-UHFFFAOYSA-N 0 0 332.400 0.477 10 0 ECAERN CNC(=O)CCNC(=O)[C@H]1CCC(=O)N1Cc1c[nH]c2ccccc12 ZINC000223387233 609710372 /nfs/dbraw/zinc/71/03/72/609710372.db2.gz LFDFEQMNYCBRBP-OAHLLOKOSA-N 0 0 342.399 0.911 10 0 ECAERN CCOC(=O)N1CCN(C(=O)CCn2ncc3c2c(C)nn3C)CC1 ZINC000223860150 609715385 /nfs/dbraw/zinc/71/53/85/609715385.db2.gz YXQPNAQHPHTNIU-UHFFFAOYSA-N 0 0 348.407 0.769 10 0 ECAERN Cc1nn(C(C)C)c2cnn(CCC(=O)NCCN3CCOCC3)c12 ZINC000223888974 609715407 /nfs/dbraw/zinc/71/54/07/609715407.db2.gz PQZGHXCHCDPIRM-UHFFFAOYSA-N 0 0 348.451 0.961 10 0 ECAERN CNC(=O)[C@@H]1CN(C(=O)[C@H]2CC=CCC2)C[C@H]1c1nc(COC)no1 ZINC000169791210 609747250 /nfs/dbraw/zinc/74/72/50/609747250.db2.gz KBBIFXBHLNDNOL-YNEHKIRRSA-N 0 0 348.403 0.860 10 0 ECAERN CCCC(=O)N[C@@H]1CCCN(Cn2nnn(-c3ccccc3)c2=O)C1 ZINC000170639025 609751115 /nfs/dbraw/zinc/75/11/15/609751115.db2.gz QIDICSVXIOHFRD-CQSZACIVSA-N 0 0 344.419 0.767 10 0 ECAERN COCC[N@@H+]1CCN(CN2C(=O)NC3(CCCCC3)C2=O)C[C@@H]1C ZINC000172237860 609770337 /nfs/dbraw/zinc/77/03/37/609770337.db2.gz ZPPGUAITVFCABO-AWEZNQCLSA-N 0 0 338.452 0.851 10 0 ECAERN CCn1cc(C2CCN(CN3C(=O)N[C@](C)(COC)C3=O)CC2)cn1 ZINC000152167887 609837426 /nfs/dbraw/zinc/83/74/26/609837426.db2.gz PJTQUKCQXYFQCD-QGZVFWFLSA-N 0 0 349.435 0.997 10 0 ECAERN COC[C@]1(C(N)=O)CCCN1C(=O)C1C[C@H]2CSC[C@@H](C1)C2=O ZINC000911352892 609854215 /nfs/dbraw/zinc/85/42/15/609854215.db2.gz LRPVMXSULHFKQI-GTCHNVEASA-N 0 0 340.445 0.438 10 0 ECAERN CC(C)(C)OC(=O)N1CC([C@H](F)C(=O)N2CCOC[C@@H]2CO)C1 ZINC000912417049 609956539 /nfs/dbraw/zinc/95/65/39/609956539.db2.gz PUZUDIMNHNPGNE-RYUDHWBXSA-N 0 0 332.372 0.411 10 0 ECAERN Cc1cc(S(C)(=O)=O)cc(C(=O)N2CCOC[C@H]2CO)c1C ZINC000912418441 609957021 /nfs/dbraw/zinc/95/70/21/609957021.db2.gz NOEMAPULDUCMCZ-GFCCVEGCSA-N 0 0 327.402 0.540 10 0 ECAERN O=C(c1nc(N2CCCC2)ncc1Cl)N1CCOC[C@@H]1CO ZINC000912422623 609957568 /nfs/dbraw/zinc/95/75/68/609957568.db2.gz QIKZLUUHIIVOTR-JTQLQIEISA-N 0 0 326.784 0.564 10 0 ECAERN C[C@@H](NC(N)=O)C(=O)NNc1ccc([N+](=O)[O-])cc1Br ZINC000188993958 610058677 /nfs/dbraw/zinc/05/86/77/610058677.db2.gz RFZWWWMFACXINL-RXMQYKEDSA-N 0 0 346.141 0.857 10 0 ECAERN Cc1ccc2c(c1)c(CNC(=O)CC[C@@H]1NC(=O)NC1=O)nn2C ZINC000091657041 612910609 /nfs/dbraw/zinc/91/06/09/612910609.db2.gz VDOPVRLQUYOFLF-NSHDSACASA-N 0 0 329.360 0.486 10 0 ECAERN Cc1ccc2nc(CN3C[C@@H]4CCS(=O)(=O)[C@@H]4C3)cc(=O)n2c1 ZINC000329167586 740441309 /nfs/dbraw/zinc/44/13/09/740441309.db2.gz ISUPZWWGCMBFBC-GXTWGEPZSA-N 0 0 333.413 0.622 10 0 ECAERN COc1cc(OC)cc([C@@H]2CC(=O)N(CN3CCOCC3)C2=O)c1 ZINC000101111791 219115993 /nfs/dbraw/zinc/11/59/93/219115993.db2.gz UBZQQTRRQCIACG-HNNXBMFYSA-N 0 0 334.372 0.836 10 0 ECAERN CN(Cc1nnc2n1c1ccccc1c(=O)n2C)CC1CC(O)C1 ZINC000190199457 530030076 /nfs/dbraw/zinc/03/00/76/530030076.db2.gz NZFKOLDXTXGELS-UHFFFAOYSA-N 0 0 327.388 0.784 10 0 ECAERN Cc1oc(-c2cnn(C)c2)nc1C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000177500101 282452551 /nfs/dbraw/zinc/45/25/51/282452551.db2.gz RQCRYYCIIFKXCF-AWEZNQCLSA-N 0 0 345.403 0.930 10 0 ECAERN O=C([O-])c1c2c(sc1S(=O)(=O)NC1CCOCC1)C[NH2+]CC2 ZINC000067459685 215149573 /nfs/dbraw/zinc/14/95/73/215149573.db2.gz YCKVQKWHXDCWJK-UHFFFAOYSA-N 0 0 346.430 0.549 10 0 ECAERN CSCCCNC(=O)C[C@H]1C(=O)NCCN1Cc1ccccn1 ZINC000019884455 202025694 /nfs/dbraw/zinc/02/56/94/202025694.db2.gz VHUOLNKKSZZRBW-AWEZNQCLSA-N 0 0 336.461 0.641 10 0 ECAERN Nc1nnc(CCNC(=O)CCS(=O)(=O)c2ccccc2)s1 ZINC000020202342 202035053 /nfs/dbraw/zinc/03/50/53/202035053.db2.gz BSIAVMANOVMBBZ-UHFFFAOYSA-N 0 0 340.430 0.643 10 0 ECAERN COC(=O)c1cnn(-c2ccc(C(=O)N3CCOCC3)cc2)c1N ZINC000021652212 202067030 /nfs/dbraw/zinc/06/70/30/202067030.db2.gz XEMALLBJWMQQEV-UHFFFAOYSA-N 0 0 330.344 0.714 10 0 ECAERN CCCNC(=O)CNS(=O)(=O)Cc1cccc(C(N)=S)c1 ZINC000038005329 202081127 /nfs/dbraw/zinc/08/11/27/202081127.db2.gz MFOKTTHXEWYJCL-UHFFFAOYSA-N 0 0 329.447 0.266 10 0 ECAERN CC[C@@H]1Oc2ccc(S(=O)(=O)N3CCNCC3)cc2NC1=O ZINC000032918109 202241947 /nfs/dbraw/zinc/24/19/47/202241947.db2.gz IUDIWHFTJDNWLV-LBPRGKRZSA-N 0 0 325.390 0.390 10 0 ECAERN C/C=C1/C[C@@]2(CO)O[C@@]2(C)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23 ZINC000033955432 202271756 /nfs/dbraw/zinc/27/17/56/202271756.db2.gz NOQVBHHOUTTZGE-LUZNJDLOSA-N 0 0 349.383 0.326 10 0 ECAERN C[C@@H]1CN(C(=O)Cn2c3ccccc3[nH]c2=O)C[C@H]1N1CCOCC1 ZINC000076052308 202384940 /nfs/dbraw/zinc/38/49/40/202384940.db2.gz SQNSNGGSKDFNDZ-CZUORRHYSA-N 0 0 344.415 0.509 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)CSc1nnnn1C1CC1)CC2 ZINC000114867231 201072203 /nfs/dbraw/zinc/07/22/03/201072203.db2.gz JNOVTISUCHPODJ-SECBINFHSA-N 0 0 348.436 0.385 10 0 ECAERN CC(C)CC(=O)N1CCC(NC(=O)NC[C@@H]2CN(C)CCO2)CC1 ZINC000104794444 201058785 /nfs/dbraw/zinc/05/87/85/201058785.db2.gz FCLRGPCHTFDESN-OAHLLOKOSA-N 0 0 340.468 0.653 10 0 ECAERN COc1ccc(C(=O)NCC(=O)N[C@H]2CCc3ncnn3C2)cc1 ZINC000112725510 201066849 /nfs/dbraw/zinc/06/68/49/201066849.db2.gz VJGJVLMXGBSQLR-LBPRGKRZSA-N 0 0 329.360 0.148 10 0 ECAERN O=C(N[C@H]1CCc2ncnn2C1)C1CCN(C(=O)N2CCCC2)CC1 ZINC000112662335 201067209 /nfs/dbraw/zinc/06/72/09/201067209.db2.gz NQLMGOYXMIGFGI-AWEZNQCLSA-N 0 0 346.435 0.637 10 0 ECAERN CCS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CN(C)CCO2)c1 ZINC000119558271 201079101 /nfs/dbraw/zinc/07/91/01/201079101.db2.gz UKJOVUDZNHVSSW-CYBMUJFWSA-N 0 0 326.418 0.541 10 0 ECAERN CO[C@H]1C[C@H](CO)N(C(=O)Cn2cc(Br)ccc2=O)C1 ZINC000345517113 201101251 /nfs/dbraw/zinc/10/12/51/201101251.db2.gz XRXUCPJXSMLTHJ-MNOVXSKESA-N 0 0 345.193 0.219 10 0 ECAERN C[C@H](C(=O)N1CC[C@@H](Oc2cccnc2N(C)C)C1)n1cncn1 ZINC000275585036 201284878 /nfs/dbraw/zinc/28/48/78/201284878.db2.gz JVKNQDIUQQHZJO-CHWSQXEVSA-N 0 0 330.392 0.980 10 0 ECAERN CCOC(=O)CN(C[C@H](O)CN1C(=O)c2ccccc2C1=O)C1CC1 ZINC000299163750 201355147 /nfs/dbraw/zinc/35/51/47/201355147.db2.gz MPTQCTUECKPGNS-ZDUSSCGKSA-N 0 0 346.383 0.671 10 0 ECAERN CCn1cc([C@H]2CN(C(=O)CNC(=O)c3ccccn3)CCO2)cn1 ZINC000191749162 239280690 /nfs/dbraw/zinc/28/06/90/239280690.db2.gz UYDGFSDCFMYQBF-OAHLLOKOSA-N 0 0 343.387 0.628 10 0 ECAERN CCn1cc([C@@H]2CN(C(=O)CNC(=O)c3cccnc3)CCO2)cn1 ZINC000191751927 239282715 /nfs/dbraw/zinc/28/27/15/239282715.db2.gz GZYMGTDPJDYJCS-HNNXBMFYSA-N 0 0 343.387 0.628 10 0 ECAERN CS(=O)(=O)c1csc(C(=O)N[C@@H]2CCc3ncnn3C2)c1 ZINC000132216803 223310914 /nfs/dbraw/zinc/31/09/14/223310914.db2.gz UVTAZUMADZMGGP-MRVPVSSYSA-N 0 0 326.403 0.488 10 0 ECAERN O=C(N[C@H]1CCS(=O)(=O)C1)c1cccc(CN2CCCC2=O)c1 ZINC000052603526 202647246 /nfs/dbraw/zinc/64/72/46/202647246.db2.gz KUWXMWKBEQXUTR-AWEZNQCLSA-N 0 0 336.413 0.726 10 0 ECAERN CCOc1ccnc(N2CCN(C(=O)CCc3ccncn3)CC2)n1 ZINC000192349382 239667735 /nfs/dbraw/zinc/66/77/35/239667735.db2.gz ANKITJWQVFNRJR-UHFFFAOYSA-N 0 0 342.403 0.947 10 0 ECAERN Cc1ccc(F)cc1S(=O)(=O)N1CCN=C1N1CCN(C)CC1 ZINC000064929871 202820765 /nfs/dbraw/zinc/82/07/65/202820765.db2.gz BQAXNFVVLAPLEZ-UHFFFAOYSA-N 0 0 340.424 0.742 10 0 ECAERN O=c1c2cnc3nc(-c4ccncc4)nn3c2ccn1-c1nc[nH]n1 ZINC000072452325 203226683 /nfs/dbraw/zinc/22/66/83/203226683.db2.gz XWLYHYWCVCDYEE-UHFFFAOYSA-N 0 0 331.299 0.609 10 0 ECAERN COC(=O)Cc1nn(-c2nc3ccccc3[nH]2)c2c1nnc1ncnn12 ZINC000072461564 203228408 /nfs/dbraw/zinc/22/84/08/203228408.db2.gz PYFSXVISAHUZLB-UHFFFAOYSA-N 0 0 349.314 0.450 10 0 ECAERN C[C@H](CNC(=O)NC[C@@](C)(O)c1ccsc1)N1CCOCC1 ZINC000077531736 203394084 /nfs/dbraw/zinc/39/40/84/203394084.db2.gz QSZDLSGRPHJVQM-IUODEOHRSA-N 0 0 327.450 0.976 10 0 ECAERN COc1cccc(C(=O)NCC(=O)N[C@H]2CCCn3nc(C)nc32)c1 ZINC000083675488 203518317 /nfs/dbraw/zinc/51/83/17/203518317.db2.gz VOBSUZXKVABRCN-AWEZNQCLSA-N 0 0 343.387 0.976 10 0 ECAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)CNC(=O)NCc1ccco1 ZINC000088280917 203563337 /nfs/dbraw/zinc/56/33/37/203563337.db2.gz HQPKXOYWPBWUIX-LBPRGKRZSA-N 0 0 346.391 0.884 10 0 ECAERN COCC(=O)N(C)CC(=O)N1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000091760508 203651226 /nfs/dbraw/zinc/65/12/26/203651226.db2.gz LXGNRWLNJPXYSB-FZMZJTMJSA-N 0 0 342.342 0.704 10 0 ECAERN C[N@@H+](CC(=O)[O-])C[C@@H]1CN(C(=O)Cc2cc(F)ccc2F)CCO1 ZINC000262899747 245239464 /nfs/dbraw/zinc/23/94/64/245239464.db2.gz HZGUSJSYZBNTBA-CYBMUJFWSA-N 0 0 342.342 0.751 10 0 ECAERN CC(C)c1nnc(CN2CCN(c3ccc4nncn4n3)CC2)n1C ZINC000105817432 204164006 /nfs/dbraw/zinc/16/40/06/204164006.db2.gz DWBQXJMFMSKIIT-UHFFFAOYSA-N 0 0 341.423 0.698 10 0 ECAERN COCCN(C[C@H]1CN(C[C@H](C)O)CCO1)C(=O)c1ccccc1 ZINC000105022490 204130371 /nfs/dbraw/zinc/13/03/71/204130371.db2.gz PKGCNUSDMGOINC-DOTOQJQBSA-N 0 0 336.432 0.857 10 0 ECAERN NC(=O)COc1ccccc1C(=O)N1CCC[C@H](n2cncn2)C1 ZINC000105853814 204171082 /nfs/dbraw/zinc/17/10/82/204171082.db2.gz ZDMQMIWJGTYVOX-LBPRGKRZSA-N 0 0 329.360 0.620 10 0 ECAERN Cn1cc(CN2CCCN(CC(=O)NCc3ccco3)CC2)cn1 ZINC000105869133 204172122 /nfs/dbraw/zinc/17/21/22/204172122.db2.gz JVTJZJFBJIXOOB-UHFFFAOYSA-N 0 0 331.420 0.837 10 0 ECAERN CN(C)[C@@H](Cc1ccccc1)C(=O)N(C)CC(=O)N1CCOCC1 ZINC000106902451 204219156 /nfs/dbraw/zinc/21/91/56/204219156.db2.gz JGJNEKNERMTYCM-INIZCTEOSA-N 0 0 333.432 0.477 10 0 ECAERN C[C@@H](NC(=O)c1cccs1)C(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000111087404 204334524 /nfs/dbraw/zinc/33/45/24/204334524.db2.gz KQRDLZJHRVHTIL-OLZOCXBDSA-N 0 0 348.428 0.991 10 0 ECAERN C[C@@H](NC(=O)c1ccco1)C(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000111078677 204334668 /nfs/dbraw/zinc/33/46/68/204334668.db2.gz MTSCQRGHPCFLRP-OLZOCXBDSA-N 0 0 332.360 0.522 10 0 ECAERN NC(=O)C[C@H](N)C(=O)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000037799918 204353146 /nfs/dbraw/zinc/35/31/46/204353146.db2.gz ZYJMAFBRSUDYQV-JTQLQIEISA-N 0 0 330.841 0.248 10 0 ECAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)NCCn3ccnc3)CCO2)n1 ZINC000111785812 204372698 /nfs/dbraw/zinc/37/26/98/204372698.db2.gz JZOHSYXAUASTOD-HNNXBMFYSA-N 0 0 332.408 0.807 10 0 ECAERN O=C(CNC(=O)N[C@@H]1CCc2ncnn2C1)Nc1cccc(F)c1 ZINC000112747034 204417166 /nfs/dbraw/zinc/41/71/66/204417166.db2.gz JYSJHLOFVMZBQS-GFCCVEGCSA-N 0 0 332.339 0.670 10 0 ECAERN CCCNC(=O)CCC(=O)N1CCN(Cc2c(C)nn(C)c2C)CC1 ZINC000115388991 204504909 /nfs/dbraw/zinc/50/49/09/204504909.db2.gz OKRPEVVIVVCCSV-UHFFFAOYSA-N 0 0 349.479 0.988 10 0 ECAERN O=C(NC[C@@H](O)CN1CCOCC1)c1ccn(-c2ccccc2F)n1 ZINC000121105575 204779813 /nfs/dbraw/zinc/77/98/13/204779813.db2.gz YDWDJTAKNWVGMC-CYBMUJFWSA-N 0 0 348.378 0.434 10 0 ECAERN CCN(CC)C(=O)C(=O)Nc1cc(Br)cn(C)c1=O ZINC000123812656 204935777 /nfs/dbraw/zinc/93/57/77/204935777.db2.gz JGBJBOABRZDBJR-UHFFFAOYSA-N 0 0 330.182 0.955 10 0 ECAERN Cc1cnn([C@@H]2CCCN(C(=O)C(=O)Nc3cccn(C)c3=O)C2)c1 ZINC000125593232 205017019 /nfs/dbraw/zinc/01/70/19/205017019.db2.gz AFFJYUWIXMDFKU-CYBMUJFWSA-N 0 0 343.387 0.692 10 0 ECAERN O=C(CCNC(=O)c1ccco1)N1CCC[C@H](Cn2cncn2)C1 ZINC000127023339 205081189 /nfs/dbraw/zinc/08/11/89/205081189.db2.gz CMTWDDPZWNUFAU-ZDUSSCGKSA-N 0 0 331.376 0.930 10 0 ECAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)CNC(=O)CCC(C)C ZINC000127236214 205090582 /nfs/dbraw/zinc/09/05/82/205090582.db2.gz UOMOHEJDNWNVJP-GFCCVEGCSA-N 0 0 337.424 0.928 10 0 ECAERN CNc1cc(N2CCC[C@H]2CNC(=O)N[C@H](C)CCCO)ncn1 ZINC000130804613 205258921 /nfs/dbraw/zinc/25/89/21/205258921.db2.gz ZBWRXISFXQWNSJ-OLZOCXBDSA-N 0 0 336.440 0.947 10 0 ECAERN CCc1onc(C)c1NC(=O)C(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000132171255 205315904 /nfs/dbraw/zinc/31/59/04/205315904.db2.gz AIULFYMJLPJMJC-LBPRGKRZSA-N 0 0 347.375 0.608 10 0 ECAERN Cc1cc(S(N)(=O)=O)cc(C(=O)N[C@H]2CCc3ncnn3C2)c1C ZINC000132318154 205320467 /nfs/dbraw/zinc/32/04/67/205320467.db2.gz WPZVOJSRGORIEY-NSHDSACASA-N 0 0 349.416 0.287 10 0 ECAERN Cc1ncc(CN2CCN(C[C@@H](O)CN3CCCC3=O)CC2)s1 ZINC000111690349 220179473 /nfs/dbraw/zinc/17/94/73/220179473.db2.gz XMYXFUQIUZEKCD-CQSZACIVSA-N 0 0 338.477 0.552 10 0 ECAERN CNS(=O)(=O)c1cc(C(=O)N[C@@H]2CCCn3nc(C)nc32)co1 ZINC000155489690 206011029 /nfs/dbraw/zinc/01/10/29/206011029.db2.gz PQTAQCOVTCSZGW-SNVBAGLBSA-N 0 0 339.377 0.353 10 0 ECAERN Cc1cccc(S(=O)(=O)CCCN2CCOC[C@H]2C(N)=O)c1 ZINC000155764058 206033098 /nfs/dbraw/zinc/03/30/98/206033098.db2.gz WBTWWPSDGJPLOS-AWEZNQCLSA-N 0 0 326.418 0.345 10 0 ECAERN Cc1nn(C(F)F)c(C)c1CC(=O)N1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000157461754 206135782 /nfs/dbraw/zinc/13/57/82/206135782.db2.gz LXSZAQZIOKBGKX-RDDDGLTNSA-N 0 0 330.335 0.539 10 0 ECAERN CNC(=O)[C@@H]1CCCN1C(=O)NCCNC(=O)c1ccc(C)cc1 ZINC000158362552 206185891 /nfs/dbraw/zinc/18/58/91/206185891.db2.gz HHVGWKWMSUYHOV-AWEZNQCLSA-N 0 0 332.404 0.645 10 0 ECAERN CNC(=O)[C@@H]1CCCN1C(=O)NCCc1cccc(C(=O)N(C)C)c1 ZINC000159034647 206222710 /nfs/dbraw/zinc/22/27/10/206222710.db2.gz FIWIXHNIIMBWMA-HNNXBMFYSA-N 0 0 346.431 0.851 10 0 ECAERN CN1CCO[C@H](CNC(=O)NCCOc2ncccc2Cl)C1 ZINC000158966938 206219918 /nfs/dbraw/zinc/21/99/18/206219918.db2.gz ZYPZUHJELQAMJD-LLVKDONJSA-N 0 0 328.800 0.744 10 0 ECAERN CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1ccc2ncccc2c1 ZINC000166809868 206535172 /nfs/dbraw/zinc/53/51/72/206535172.db2.gz BSMBDWPRZQMXEY-CQSZACIVSA-N 0 0 326.356 0.910 10 0 ECAERN C[C@@H](NC(=O)C(=O)Nc1ccc(-n2ccnn2)cc1)[C@H]1CCCO1 ZINC000171227298 206675338 /nfs/dbraw/zinc/67/53/38/206675338.db2.gz WXNNAZJRWQNCIP-BXUZGUMPSA-N 0 0 329.360 0.890 10 0 ECAERN Cc1cc(N2CCC[C@H](NC(=O)CCc3cnn(C)c3)C2=O)n(C)n1 ZINC000175016547 207084892 /nfs/dbraw/zinc/08/48/92/207084892.db2.gz FDAWVTQAQBJXTD-AWEZNQCLSA-N 0 0 344.419 0.706 10 0 ECAERN O=C(c1cc(F)ccc1O)N1CCN(c2ccc3nncn3n2)CC1 ZINC000175244659 207109120 /nfs/dbraw/zinc/10/91/20/207109120.db2.gz PHACUUCHUKALPG-UHFFFAOYSA-N 0 0 342.334 0.931 10 0 ECAERN Cc1cc(N2CCC[C@@H](NC(=O)NC[C@@H]3CCCOC3)C2=O)n(C)n1 ZINC000175749441 207156290 /nfs/dbraw/zinc/15/62/90/207156290.db2.gz BQXDGDMMEZNFRF-UONOGXRCSA-N 0 0 349.435 0.950 10 0 ECAERN CCS(=O)(=O)CCNC(=O)N1CCC[C@H]1Cn1ccnc1C ZINC000176115345 207191953 /nfs/dbraw/zinc/19/19/53/207191953.db2.gz IHDYCWIBVKWSIW-ZDUSSCGKSA-N 0 0 328.438 0.800 10 0 ECAERN COCC[C@H](C)NC(=O)N[C@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000176208182 207200326 /nfs/dbraw/zinc/20/03/26/207200326.db2.gz MQNFMKJVFJMQIH-AAEUAGOBSA-N 0 0 337.424 0.948 10 0 ECAERN CNC(=O)[C@@H]1CCCN1C(=O)Nc1ccc(C)c(-n2cnnn2)c1 ZINC000176343223 207217371 /nfs/dbraw/zinc/21/73/71/207217371.db2.gz QTOUKGZLJLHTFN-LBPRGKRZSA-N 0 0 329.364 0.713 10 0 ECAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)CNC(=O)COc1ccccc1 ZINC000176281049 207211744 /nfs/dbraw/zinc/21/17/44/207211744.db2.gz SOVALEFDXFGIHR-AWEZNQCLSA-N 0 0 343.387 0.733 10 0 ECAERN CCc1cc(N2CCC(NC(=O)[C@@H]3C[C@H]3C(=O)OC)CC2)ncn1 ZINC000177191235 207304575 /nfs/dbraw/zinc/30/45/75/207304575.db2.gz CVVFQYWQWCZRHD-ZIAGYGMSSA-N 0 0 332.404 0.933 10 0 ECAERN Cc1cc(O)cc(=O)n1CC(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000177355339 207325092 /nfs/dbraw/zinc/32/50/92/207325092.db2.gz NACKSQGQKFUZPH-GFCCVEGCSA-N 0 0 345.403 0.708 10 0 ECAERN CCc1cc(NC(=O)C(=O)N2CCO[C@H](Cn3cccn3)C2)n(C)n1 ZINC000177650365 207369939 /nfs/dbraw/zinc/36/99/39/207369939.db2.gz HISWCSNVRRMPMO-ZDUSSCGKSA-N 0 0 346.391 0.045 10 0 ECAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)Cn1c(=O)cnc2ccccc21 ZINC000177678637 207373941 /nfs/dbraw/zinc/37/39/41/207373941.db2.gz WZEZFSRWZHBJFO-ZDUSSCGKSA-N 0 0 338.371 0.948 10 0 ECAERN C[C@]1(C2CC2)NC(=O)N(CC(=O)N2CCC[C@@H]2Cn2ccnc2)C1=O ZINC000177798312 207398618 /nfs/dbraw/zinc/39/86/18/207398618.db2.gz PBDMUANJMYZHHJ-CXAGYDPISA-N 0 0 345.403 0.595 10 0 ECAERN CN1CCO[C@@H](CNC(=O)C(=O)Nc2c[nH]nc2-c2ccccc2)C1 ZINC000180568400 207799408 /nfs/dbraw/zinc/79/94/08/207799408.db2.gz RJLGALYIHNNLAD-ZDUSSCGKSA-N 0 0 343.387 0.462 10 0 ECAERN C[C@H](CN1CCOCC1)NC(=O)N1CCC(Nc2cccnn2)CC1 ZINC000153518009 224116663 /nfs/dbraw/zinc/11/66/63/224116663.db2.gz DBLURDZWCHHSTG-CQSZACIVSA-N 0 0 348.451 0.783 10 0 ECAERN CCOCCN1CCN(C(=O)Cn2c3ccccc3[nH]c2=O)C[C@H]1C ZINC000117279640 221040924 /nfs/dbraw/zinc/04/09/24/221040924.db2.gz XBQCRCLLFIIBLM-CQSZACIVSA-N 0 0 346.431 0.899 10 0 ECAERN COC[C@H](C)S(=O)(=O)N1CCN(Cc2cnc(C)s2)CC1 ZINC000117921284 221100036 /nfs/dbraw/zinc/10/00/36/221100036.db2.gz KKPCKOBVSSKKPO-NSHDSACASA-N 0 0 333.479 0.934 10 0 ECAERN Cc1cnn(CCNC(=O)C(=O)Nc2ccc(-n3cccn3)nc2)c1 ZINC000118132974 221128685 /nfs/dbraw/zinc/12/86/85/221128685.db2.gz TXKDTIWCEFKZJR-UHFFFAOYSA-N 0 0 339.359 0.527 10 0 ECAERN Cn1ccnc1CC1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000119792338 221402443 /nfs/dbraw/zinc/40/24/43/221402443.db2.gz RWDTVIFALVKHHF-UHFFFAOYSA-N 0 0 328.438 0.252 10 0 ECAERN CCS(=O)(=O)N1C[C@@H]2CN(Cc3ccc(OC)cc3)C(=O)[C@@H]2C1 ZINC000253492471 257658705 /nfs/dbraw/zinc/65/87/05/257658705.db2.gz PYXXWUUGHFIACC-DZGCQCFKSA-N 0 0 338.429 0.935 10 0 ECAERN CS(=O)(=O)N1C[C@H](C(=O)NCc2ccco2)C[C@@H]2OCC[C@@H]21 ZINC000247486719 257682991 /nfs/dbraw/zinc/68/29/91/257682991.db2.gz ACMZXKFQSAJWPZ-WXHSDQCUSA-N 0 0 328.390 0.335 10 0 ECAERN O=C1CCCC(=O)N1c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000012201793 135693125 /nfs/dbraw/zinc/69/31/25/135693125.db2.gz OPLNLHIUDVUCNR-UHFFFAOYSA-N 0 0 338.385 0.751 10 0 ECAERN COc1cc(C)c(NC(=O)C(=O)N[C@@H]2CCc3ncnn3C2)cc1F ZINC000184942209 286206722 /nfs/dbraw/zinc/20/67/22/286206722.db2.gz NKVCAIURSIBUJV-SNVBAGLBSA-N 0 0 347.350 0.804 10 0 ECAERN CCO[C@@H]1C[C@H](NC(=O)[C@@H]2CN(CC)CCO2)C12CCOCC2 ZINC000248573648 286373909 /nfs/dbraw/zinc/37/39/09/286373909.db2.gz NYUGXNLKBVALKG-SOUVJXGZSA-N 0 0 326.437 0.798 10 0 ECAERN COc1cccc([C@@H]2C[C@@H]2C(=O)NC[C@@H](O)CN2CCOCC2)c1 ZINC000245688979 296728375 /nfs/dbraw/zinc/72/83/75/296728375.db2.gz OLUPKSNCZANZEK-PVAVHDDUSA-N 0 0 334.416 0.608 10 0 ECAERN O=C(CNC(=O)c1cccnc1)N1CC[C@@H](Oc2cccnc2)C1 ZINC000127115837 164675141 /nfs/dbraw/zinc/67/51/41/164675141.db2.gz NBZCXJAVLQZAFW-OAHLLOKOSA-N 0 0 326.356 0.886 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)C(=O)Nc1c(C)noc1CC)CC2 ZINC000132160036 164699208 /nfs/dbraw/zinc/69/92/08/164699208.db2.gz JEXJMIIJSXFGJT-SNVBAGLBSA-N 0 0 346.391 0.769 10 0 ECAERN C[C@@H](NC(=O)NCCn1cccn1)c1ccc(S(N)(=O)=O)cc1 ZINC000172299924 164841242 /nfs/dbraw/zinc/84/12/42/164841242.db2.gz HCHONUUIFXNKII-LLVKDONJSA-N 0 0 337.405 0.591 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)NCCC(=O)N[C@@H](C)CC)CC2 ZINC000172312676 164841307 /nfs/dbraw/zinc/84/13/07/164841307.db2.gz NPSBIXBBXMKDIN-RYUDHWBXSA-N 0 0 336.440 0.759 10 0 ECAERN Cc1cc(C(=O)CN2CCOC[C@H]2C(N)=O)c(C)n1-c1nccs1 ZINC000179726085 164932140 /nfs/dbraw/zinc/93/21/40/164932140.db2.gz KREKXCFKDFGCND-ZDUSSCGKSA-N 0 0 348.428 0.919 10 0 ECAERN CC1(C)CN(CCNC(=O)N2CC(NC(=O)C3CCC3)C2)CCO1 ZINC000188834694 165001830 /nfs/dbraw/zinc/00/18/30/165001830.db2.gz QHTJKUPLKCKBFV-UHFFFAOYSA-N 0 0 338.452 0.407 10 0 ECAERN C[C@H]1C(=O)NCCCN1C(=O)[C@H]1CCCN1C(=O)Cc1ccccc1 ZINC000189233748 165006752 /nfs/dbraw/zinc/00/67/52/165006752.db2.gz XOMCZQNHBGYTAZ-GOEBONIOSA-N 0 0 343.427 0.957 10 0 ECAERN O=C(Cn1nnc(-c2ccccc2)n1)N1CC(NC(=O)C2CCC2)C1 ZINC000189220934 165007010 /nfs/dbraw/zinc/00/70/10/165007010.db2.gz HVWCPKQNHCMXCE-UHFFFAOYSA-N 0 0 340.387 0.467 10 0 ECAERN C[C@@H]1C(=O)NCCCN1CCOc1cccc(S(C)(=O)=O)c1 ZINC000189297348 165008807 /nfs/dbraw/zinc/00/88/07/165008807.db2.gz INEATKLULPMACD-GFCCVEGCSA-N 0 0 326.418 0.679 10 0 ECAERN C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1cnc(N(C)C)nc1 ZINC000190090047 165018307 /nfs/dbraw/zinc/01/83/07/165018307.db2.gz MPZDEXXVLPUKSO-WCQYABFASA-N 0 0 332.408 0.176 10 0 ECAERN Cc1ccc(C[C@@H](CO)NC(=O)N[C@H]2CCc3ncnn3C2)cc1 ZINC000190163398 165019221 /nfs/dbraw/zinc/01/92/21/165019221.db2.gz QNNFMAKFIBJCMM-GJZGRUSLSA-N 0 0 329.404 0.804 10 0 ECAERN CC(=O)NC1CN(C(=O)NC2CCC(O)(c3cccnc3)CC2)C1 ZINC000190330212 165019249 /nfs/dbraw/zinc/01/92/49/165019249.db2.gz PXHJVBALGPYMSC-UHFFFAOYSA-N 0 0 332.404 0.742 10 0 ECAERN CCn1cc([C@H]2CN(C(=O)NCCN3CCOCC3)CCO2)cn1 ZINC000190295293 165019306 /nfs/dbraw/zinc/01/93/06/165019306.db2.gz KNUWFWCPNLPCGQ-OAHLLOKOSA-N 0 0 337.424 0.318 10 0 ECAERN C[C@@H]1C(=O)NCCCN1C(=O)C(=O)Nc1ccc(-c2cc[nH]n2)cc1 ZINC000190667472 165023625 /nfs/dbraw/zinc/02/36/25/165023625.db2.gz HQRXXUQNYFTDKR-LLVKDONJSA-N 0 0 341.371 0.752 10 0 ECAERN Cc1nc2ccc(NC(=O)C(=O)N3CCCNC(=O)[C@H]3C)cc2o1 ZINC000190668626 165023672 /nfs/dbraw/zinc/02/36/72/165023672.db2.gz YPHVYFDAOFHMFX-SECBINFHSA-N 0 0 330.344 0.812 10 0 ECAERN C[C@H]1C(=O)NCCCN1C(=O)NCc1ccc(C(=O)N(C)C)cc1 ZINC000191229662 165031259 /nfs/dbraw/zinc/03/12/59/165031259.db2.gz JNNRHTHUKVFURY-LBPRGKRZSA-N 0 0 332.404 0.808 10 0 ECAERN C[C@@H]1C(=O)NCCCN1C(=O)NCC[S@](=O)Cc1ccccc1 ZINC000191402611 165033290 /nfs/dbraw/zinc/03/32/90/165033290.db2.gz MFDRIHZHPYHBMH-ZLOXQWCVSA-N 0 0 337.445 0.855 10 0 ECAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CCN(c2ccc(C)c(C)c2)CC1 ZINC000193699549 165058466 /nfs/dbraw/zinc/05/84/66/165058466.db2.gz NZVFGHXVRRJURE-QZTJIDSGSA-N 0 0 345.443 0.934 10 0 ECAERN Cc1cc(NC(=O)CN2CCN(Cc3nnnn3C(C)C)CC2)no1 ZINC000195045613 165073594 /nfs/dbraw/zinc/07/35/94/165073594.db2.gz IGRUDTUNDLYBQQ-UHFFFAOYSA-N 0 0 348.411 0.307 10 0 ECAERN CC(C)N(C(=O)CS(=O)(=O)Cc1nnnn1C(C)C)C(C)C ZINC000195429170 165081482 /nfs/dbraw/zinc/08/14/82/165081482.db2.gz ZYXYBCAFBAVLDL-UHFFFAOYSA-N 0 0 331.442 0.814 10 0 ECAERN CCn1cc(C2CCN(CC(=O)NCC(=O)N3CCCC3)CC2)cn1 ZINC000195499150 165085426 /nfs/dbraw/zinc/08/54/26/165085426.db2.gz PAEULJQKEJSJMJ-UHFFFAOYSA-N 0 0 347.463 0.821 10 0 ECAERN CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)N2CC[C@H](c3cnn(C)c3)C2)O1 ZINC000246089050 165122421 /nfs/dbraw/zinc/12/24/21/165122421.db2.gz NNJBAYTXRTVNDP-QEJZJMRPSA-N 0 0 349.435 0.555 10 0 ECAERN O=C(N[C@@H]1CCN(c2ncccc2F)C1)N[C@H]1CCc2ncnn2C1 ZINC000246258361 165129092 /nfs/dbraw/zinc/12/90/92/165129092.db2.gz QHQRILMXCDFUAN-NWDGAFQWSA-N 0 0 345.382 0.705 10 0 ECAERN CN1CCO[C@H](CNC(=O)N2CCC[C@@H](C(=O)NCC3CC3)C2)C1 ZINC000246529920 165138632 /nfs/dbraw/zinc/13/86/32/165138632.db2.gz WMNAHJJSTQLCGX-HUUCEWRRSA-N 0 0 338.452 0.265 10 0 ECAERN C[C@H]1CN([C@H](CNC(=O)NCCC(N)=O)c2cccs2)CCO1 ZINC000247055263 165154026 /nfs/dbraw/zinc/15/40/26/165154026.db2.gz UEDJWYRNWADOCN-NWDGAFQWSA-N 0 0 340.449 0.685 10 0 ECAERN CCOCCN1CCN([C@H](C)C(=O)NC[C@H]2CCCO2)C[C@@H]1C ZINC000247215892 165156526 /nfs/dbraw/zinc/15/65/26/165156526.db2.gz QEGASQIIASLAMK-ARFHVFGLSA-N 0 0 327.469 0.713 10 0 ECAERN COCCN1CCN(C(=O)N[C@H]2CCN(C(C)C)C2=O)C[C@H]1C ZINC000247245913 165157436 /nfs/dbraw/zinc/15/74/36/165157436.db2.gz XHITZKGFFIEORC-KGLIPLIRSA-N 0 0 326.441 0.358 10 0 ECAERN C[C@H](c1nc(N)nc(N(C)C)n1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000247767986 165168316 /nfs/dbraw/zinc/16/83/16/165168316.db2.gz OJJHFPZCWKBSOK-VXGBXAGGSA-N 0 0 332.412 0.178 10 0 ECAERN COC[C@H](C)n1ccc(NC(=O)C(=O)N2CCN3CCCC[C@H]3C2)n1 ZINC000249542176 165199484 /nfs/dbraw/zinc/19/94/84/165199484.db2.gz FGLYQTLEQJQTNE-KBPBESRZSA-N 0 0 349.435 0.726 10 0 ECAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NC[C@H](C)Cn1cccn1 ZINC000249762526 165204380 /nfs/dbraw/zinc/20/43/80/165204380.db2.gz MLBNULLULDPFJG-UONOGXRCSA-N 0 0 342.465 0.840 10 0 ECAERN NC(=O)[C@H]1CN(C[C@H](O)COCc2ccc(Cl)cc2)CCO1 ZINC000250420850 165205503 /nfs/dbraw/zinc/20/55/03/165205503.db2.gz CLYJRJOWBAYFEV-UONOGXRCSA-N 0 0 328.796 0.404 10 0 ECAERN C[NH2+][C@H](C)Cc1noc([C@H](C)[N-]S(=O)(=O)c2c(C)noc2C)n1 ZINC000261650934 165221553 /nfs/dbraw/zinc/22/15/53/165221553.db2.gz DXEXWIMKTDAICU-APPZFPTMSA-N 0 0 343.409 0.864 10 0 ECAERN [NH3+][C@@H](C(=O)Nc1cccc(C(=O)N2CCOCC2)c1)C1CCOCC1 ZINC000261703092 165230034 /nfs/dbraw/zinc/23/00/34/165230034.db2.gz IFSMGCCNVWVDTC-MRXNPFEDSA-N 0 0 347.415 0.851 10 0 ECAERN C[C@H]1OCCN[C@@H]1C(=O)N1CCC(NC(=O)c2ccc(F)cc2)CC1 ZINC000261953337 165267303 /nfs/dbraw/zinc/26/73/03/165267303.db2.gz OPSKJDYONYBJMR-WBMJQRKESA-N 0 0 349.406 0.923 10 0 ECAERN CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)[C@H]2NCCO[C@@H]2C)c1 ZINC000261946606 165267773 /nfs/dbraw/zinc/26/77/73/165267773.db2.gz NQEVNZREWBGDGC-GYSYKLTISA-N 0 0 341.433 0.149 10 0 ECAERN Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)Nc1ccc(N)nc1 ZINC000262557303 165361499 /nfs/dbraw/zinc/36/14/99/165361499.db2.gz ZVPHDPMXLSZOPO-QMMMGPOBSA-N 0 0 339.377 0.574 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)[C@H](C)NC(=O)C(C)(C)C)C1 ZINC000262726070 165378139 /nfs/dbraw/zinc/37/81/39/165378139.db2.gz SPAOSCDCIXOVJR-UNXYVOJBSA-N 0 0 327.425 0.591 10 0 ECAERN COCCN(CCOC)C(=O)N[C@@H](C)c1nnc2n1CCCC2 ZINC000121276475 221804531 /nfs/dbraw/zinc/80/45/31/221804531.db2.gz GJFRDYMEJRGRKW-LBPRGKRZSA-N 0 0 325.413 0.980 10 0 ECAERN C[C@@H]1CN(C(=O)Cn2ncc(=O)c3ccccc32)CCS1(=O)=O ZINC000121949291 221982045 /nfs/dbraw/zinc/98/20/45/221982045.db2.gz DVKPBLJDVXJSET-LLVKDONJSA-N 0 0 335.385 0.042 10 0 ECAERN Cc1nc(-c2cccc(C(=O)N3C[C@@H]4[C@H](C3)OCCN4C)c2)n[nH]1 ZINC000124112484 222378224 /nfs/dbraw/zinc/37/82/24/222378224.db2.gz GUGNUQFCDHISMS-CABCVRRESA-N 0 0 327.388 0.935 10 0 ECAERN CN1C(=O)C[C@H](N2CCN(Cc3cnn(C(C)(C)C)c3)CC2)C1=O ZINC000113952805 263145727 /nfs/dbraw/zinc/14/57/27/263145727.db2.gz FNRFDLKGXBHPRL-AWEZNQCLSA-N 0 0 333.436 0.513 10 0 ECAERN COCCN1CCN(C(=O)Nc2cnn(-c3ncccn3)c2)C[C@H]1C ZINC000174892614 263151234 /nfs/dbraw/zinc/15/12/34/263151234.db2.gz UVWBQLPYYGOMSK-CYBMUJFWSA-N 0 0 345.407 0.847 10 0 ECAERN CCCC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2cnn(C)c2C)C1 ZINC000176612011 263152952 /nfs/dbraw/zinc/15/29/52/263152952.db2.gz MURGCQNRQDBRJU-LBPRGKRZSA-N 0 0 335.408 0.574 10 0 ECAERN Cc1cnn(C[C@H]2CN(C(=O)NCC(=O)NCC3CC3)CCO2)c1 ZINC000182036124 263157004 /nfs/dbraw/zinc/15/70/04/263157004.db2.gz AJPJVNSJWYTJCT-CQSZACIVSA-N 0 0 335.408 0.128 10 0 ECAERN C[C@@H]1C(=O)NCCCN1CC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000189317126 263162817 /nfs/dbraw/zinc/16/28/17/263162817.db2.gz WJODEQZVRHXBNX-CQSZACIVSA-N 0 0 348.422 0.685 10 0 ECAERN COc1ncccc1C(=O)N1CC[C@](O)(c2cn(C(C)C)nn2)C1 ZINC000284571458 264228968 /nfs/dbraw/zinc/22/89/68/264228968.db2.gz JHGWJDGFXKZONZ-MRXNPFEDSA-N 0 0 331.376 0.996 10 0 ECAERN CCc1nc2ccccc2n1CC(=O)N[C@H]1COC[C@H]1n1ccnn1 ZINC000285036329 264271350 /nfs/dbraw/zinc/27/13/50/264271350.db2.gz ILKPCTYIPKNWJN-DZGCQCFKSA-N 0 0 340.387 0.947 10 0 ECAERN C[C@@]1(C(=O)N2CC(NC(=O)C3CC3)C2)Cc2ccccc2C(=O)O1 ZINC000189396721 437596660 /nfs/dbraw/zinc/59/66/60/437596660.db2.gz FCTMFHYWHUBYGC-SFHVURJKSA-N 0 0 328.368 0.895 10 0 ECAERN COc1cc(N2CCC3(C[C@@H](N4CCOCC4)CO3)CC2)ncn1 ZINC000096074153 277381309 /nfs/dbraw/zinc/38/13/09/277381309.db2.gz POIHCQHIGZICCN-CQSZACIVSA-N 0 0 334.420 0.945 10 0 ECAERN CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@](C)(OC(C)=O)[C@@H]1OC(C)=O ZINC000051971795 278219921 /nfs/dbraw/zinc/21/99/21/278219921.db2.gz RVXADQSOQHONLK-AAVRWANBSA-N 0 0 332.305 0.091 10 0 ECAERN CC1(C)CO[C@@H](c2ccccc2)CN1C(=O)c1cn(CC(N)=O)nn1 ZINC000079957569 278357025 /nfs/dbraw/zinc/35/70/25/278357025.db2.gz DYSYIZWMSSPUSR-CQSZACIVSA-N 0 0 343.387 0.756 10 0 ECAERN CC(C)C[C@@H]1C[C@H]1NC(=O)N1CCO[C@@H](C[N@H+](C)CC(=O)[O-])C1 ZINC000263393399 279061170 /nfs/dbraw/zinc/06/11/70/279061170.db2.gz QTOHMTUABMQVCF-HZSPNIEDSA-N 0 0 327.425 0.848 10 0 ECAERN CN(CC(=O)N1CC[C@@H](N2CCOCC2)C1)C(=O)c1cccs1 ZINC000172744065 289466954 /nfs/dbraw/zinc/46/69/54/289466954.db2.gz LVGPYFMFWPKQPA-CYBMUJFWSA-N 0 0 337.445 0.753 10 0 ECAERN CO[C@H]1C[C@H](C(=O)N(C)C[C@H]2CCCC[C@@H]2O)N(S(C)(=O)=O)C1 ZINC000363756005 294638810 /nfs/dbraw/zinc/63/88/10/294638810.db2.gz XBOSTRYKJNTGRL-RQJABVFESA-N 0 0 348.465 0.045 10 0 ECAERN C[C@]1(C(=O)N2CCN(C(=O)c3ccccc3O)CC2)CCCNC1=O ZINC000333101421 297109902 /nfs/dbraw/zinc/10/99/02/297109902.db2.gz VHHHCQNVNRXMNR-SFHVURJKSA-N 0 0 345.399 0.593 10 0 ECAERN CN1CCC[C@H]1C(=O)N1CCNC(=O)[C@H]1Cc1nc2ccccc2o1 ZINC000333233765 297120118 /nfs/dbraw/zinc/12/01/18/297120118.db2.gz HEPFSLOYAYWZCV-UONOGXRCSA-N 0 0 342.399 0.792 10 0 ECAERN CO[C@@H]1COC[C@H]1N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000333620519 297145049 /nfs/dbraw/zinc/14/50/49/297145049.db2.gz YIDGAZGEVKCWEK-HUUCEWRRSA-N 0 0 326.418 0.407 10 0 ECAERN NS(=O)(=O)c1cccc(S(=O)(=O)NC2(C(F)F)CC2)c1 ZINC000337041997 297177895 /nfs/dbraw/zinc/17/78/95/297177895.db2.gz JLXTZUNYQJBCDT-UHFFFAOYSA-N 0 0 326.346 0.410 10 0 ECAERN COc1ccc(Cl)cc1CC(=O)N1C[C@@H](OC)C[C@H]1C(N)=O ZINC000344976206 298096552 /nfs/dbraw/zinc/09/65/52/298096552.db2.gz JXDGOYKPEFFJFX-RYUDHWBXSA-N 0 0 326.780 0.992 10 0 ECAERN COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@H]1CCS(=O)(=O)C1 ZINC000361671173 300114122 /nfs/dbraw/zinc/11/41/22/300114122.db2.gz IJKHRQWHVHTBLH-CYDGBPFRSA-N 0 0 329.418 0.754 10 0 ECAERN CCOC(=O)c1ccc(Cn2c(N)nnc2SCC(=O)OC)o1 ZINC000001923448 435962734 /nfs/dbraw/zinc/96/27/34/435962734.db2.gz MLJGFVBZVXKTJJ-UHFFFAOYSA-N 0 0 340.361 0.943 10 0 ECAERN CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H](C)O[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000002545111 435967708 /nfs/dbraw/zinc/96/77/08/435967708.db2.gz QZQMGQQOGJIDKJ-XNIGGCIXSA-N 0 0 332.305 0.089 10 0 ECAERN CC(=O)Nc1ccc(S(=O)(=O)N2CCn3c(C)nnc3C2)cc1 ZINC000074816009 436141514 /nfs/dbraw/zinc/14/15/14/436141514.db2.gz ARXMWXJCACAZRR-UHFFFAOYSA-N 0 0 335.389 0.749 10 0 ECAERN CC[C@@H]1Oc2ccccc2N(CC(=O)NCCN2CCOCC2)C1=O ZINC000020686352 436112086 /nfs/dbraw/zinc/11/20/86/436112086.db2.gz WKDKUXKPEWOIGC-HNNXBMFYSA-N 0 0 347.415 0.639 10 0 ECAERN C[C@]1(C2CC2)NC(=O)N(CC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)C1=O ZINC000372782434 301028925 /nfs/dbraw/zinc/02/89/25/301028925.db2.gz QVYHLALZUDXNRS-MORSLUCNSA-N 0 0 349.431 0.861 10 0 ECAERN CCOC(=O)C(C=Nc1nc(C)nc2c1OCCO2)C(=O)OCC ZINC000034333171 436253088 /nfs/dbraw/zinc/25/30/88/436253088.db2.gz RIFZZBSYVTXPTH-UHFFFAOYSA-N 0 0 337.332 0.978 10 0 ECAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NC[C@](C)(O)c1ccco1 ZINC000080908745 436332818 /nfs/dbraw/zinc/33/28/18/436332818.db2.gz IZXFDCHAUMAADK-DOMZBBRYSA-N 0 0 344.433 0.808 10 0 ECAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)[C@H]1CC(=O)N(CCOC)C1 ZINC000088196489 436398628 /nfs/dbraw/zinc/39/86/28/436398628.db2.gz DJIBSJUWBARSMS-RYUDHWBXSA-N 0 0 335.408 0.287 10 0 ECAERN C[C@@H](NC(N)=O)C(=O)N1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000081810933 436356211 /nfs/dbraw/zinc/35/62/11/436356211.db2.gz GVGNAFDBBVFFLG-CQSZACIVSA-N 0 0 346.431 0.737 10 0 ECAERN CCC[C@H](C)NC(=O)[C@H](C)S(=O)(=O)Cc1nnc(CC)n1C ZINC000091049508 436439895 /nfs/dbraw/zinc/43/98/95/436439895.db2.gz LVODXZVZEAMUHH-QWRGUYRKSA-N 0 0 330.454 0.986 10 0 ECAERN Cc1nc(-c2cnn(C)c2)sc1C(=O)N1CCOC[C@H]1C(N)=O ZINC000091778695 436458001 /nfs/dbraw/zinc/45/80/01/436458001.db2.gz ZSJUWHZBFBXWJS-JTQLQIEISA-N 0 0 335.389 0.178 10 0 ECAERN COc1ccc2[nH]c(CNC(=O)C3CCN(CC(N)=O)CC3)cc2c1 ZINC000091829530 436460663 /nfs/dbraw/zinc/46/06/63/436460663.db2.gz KITGDLFWQWJKHR-UHFFFAOYSA-N 0 0 344.415 0.990 10 0 ECAERN O=C(CCNC(=O)N[C@@H]1CCc2ncnn2C1)NC1CCCCC1 ZINC000112745190 436633837 /nfs/dbraw/zinc/63/38/37/436633837.db2.gz DUFUGXUMSDAINR-CYBMUJFWSA-N 0 0 334.424 0.731 10 0 ECAERN Cc1cc(C)n(C[C@H]2CN(C(=O)[C@H]3CCCN(C(N)=O)C3)CCO2)n1 ZINC000110903571 436629561 /nfs/dbraw/zinc/62/95/61/436629561.db2.gz XAUOQBAWMUQNIE-LSDHHAIUSA-N 0 0 349.435 0.518 10 0 ECAERN COCCS(=O)(=O)N1CCN(Cc2cnn(C(C)(C)C)c2)CC1 ZINC000113949164 436638871 /nfs/dbraw/zinc/63/88/71/436638871.db2.gz YJZKZSKIYAQDEW-UHFFFAOYSA-N 0 0 344.481 0.732 10 0 ECAERN COc1cc(CCNC(=O)N[C@@H]2CCc3ncnn3C2)ccc1O ZINC000114832780 436643622 /nfs/dbraw/zinc/64/36/22/436643622.db2.gz FJBPLLICFKRZNK-GFCCVEGCSA-N 0 0 331.376 0.849 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)NCCNC(=O)C(C)(C)C)CC2 ZINC000114951021 436645139 /nfs/dbraw/zinc/64/51/39/436645139.db2.gz SLYWQADQENRVKI-LLVKDONJSA-N 0 0 336.440 0.617 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)NCCCc1cnn(C)c1)CC2 ZINC000114954669 436645164 /nfs/dbraw/zinc/64/51/64/436645164.db2.gz TZMOQZKINVFTHK-CYBMUJFWSA-N 0 0 331.424 0.821 10 0 ECAERN CCOCCN1CCN(C(=O)c2ccc(C(N)=O)cn2)C[C@@H]1CC ZINC000116766786 436650892 /nfs/dbraw/zinc/65/08/92/436650892.db2.gz VPDLVYMUJRJESI-AWEZNQCLSA-N 0 0 334.420 0.753 10 0 ECAERN Cc1ccc(C(=O)N2CCO[C@@H](CN(C)C)C2)cc1S(C)(=O)=O ZINC000116785542 436651050 /nfs/dbraw/zinc/65/10/50/436651050.db2.gz VTDHWDLUYRHWLL-AWEZNQCLSA-N 0 0 340.445 0.801 10 0 ECAERN Cc1cnn([C@@H]2CCCN(C(=O)C3=NN(CCO)C(=O)CC3)C2)c1 ZINC000136960021 436654199 /nfs/dbraw/zinc/65/41/99/436654199.db2.gz BBCLQRPVGKTOIQ-CYBMUJFWSA-N 0 0 333.392 0.326 10 0 ECAERN Cn1cc([C@H]2CCN(S(=O)(=O)c3ncn(C)c3Cl)C2)cn1 ZINC000116370235 436649936 /nfs/dbraw/zinc/64/99/36/436649936.db2.gz ACGXQIGUXDXWLG-VIFPVBQESA-N 0 0 329.813 0.985 10 0 ECAERN Cc1cc(CNC(=O)[C@H](C)NC2=NS(=O)(=O)c3ccccc32)on1 ZINC000150267125 436687405 /nfs/dbraw/zinc/68/74/05/436687405.db2.gz ONBKIFVVPZHKEU-JTQLQIEISA-N 0 0 348.384 0.726 10 0 ECAERN O=C(NC1CC1)c1ccc(C(=O)N[C@@H]2CCc3ncnn3C2)cc1 ZINC000120906004 436701522 /nfs/dbraw/zinc/70/15/22/436701522.db2.gz MSHXINZWFPDBSL-CQSZACIVSA-N 0 0 325.372 0.915 10 0 ECAERN CC(C)C[C@H](NC(=O)[C@H]1CNC(=O)C1)c1nc(-c2nc[nH]n2)no1 ZINC000121047522 436706477 /nfs/dbraw/zinc/70/64/77/436706477.db2.gz PLIGWONZZSDMKA-BDAKNGLRSA-N 0 0 333.352 0.194 10 0 ECAERN CN1CCN(C(=O)CN2CCC[C@@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000121157582 436708703 /nfs/dbraw/zinc/70/87/03/436708703.db2.gz KOLAMIYWYYBTRB-CQSZACIVSA-N 0 0 340.468 0.750 10 0 ECAERN COC(=O)c1cccc(CNC(=O)N[C@@H]2CCc3ncnn3C2)c1 ZINC000151737575 436709948 /nfs/dbraw/zinc/70/99/48/436709948.db2.gz WCCDERQGCXVMJH-CYBMUJFWSA-N 0 0 329.360 0.879 10 0 ECAERN [O-][N+]1=C2CCc3nonc3[C@]2(O)[C@@H]2CCCC[C@@]21N1CCOCC1 ZINC000225397031 436710457 /nfs/dbraw/zinc/71/04/57/436710457.db2.gz ZNUCGWWTSCYLAA-KCXAZCMYSA-N 0 0 335.384 0.278 10 0 ECAERN Cc1cnn(CCNC(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)c1 ZINC000118554064 436661311 /nfs/dbraw/zinc/66/13/11/436661311.db2.gz HVFZZPOWHVUTFP-UHFFFAOYSA-N 0 0 337.405 0.969 10 0 ECAERN CCc1nnc([C@@H]2CN(C(=O)CCCCc3c[nH]nn3)CCO2)[nH]1 ZINC000139417725 436664348 /nfs/dbraw/zinc/66/43/48/436664348.db2.gz KYYNIMZSFGDJJU-LBPRGKRZSA-N 0 0 333.396 0.798 10 0 ECAERN CCn1cc([C@H]2CN(C(=O)C(=O)Nc3ccc(F)cn3)CCO2)cn1 ZINC000194421284 436665539 /nfs/dbraw/zinc/66/55/39/436665539.db2.gz OMUZMIHMSRWTSG-CYBMUJFWSA-N 0 0 347.350 0.976 10 0 ECAERN O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCCC1)[C@H]1CNC(=O)C1 ZINC000194654834 436669530 /nfs/dbraw/zinc/66/95/30/436669530.db2.gz HTMGWNQAJXFKME-CABCVRRESA-N 0 0 329.400 0.472 10 0 ECAERN O=C(N[C@@H](Cc1ccccc1)C(=O)NC(CO)CO)c1cccs1 ZINC000119602959 436669866 /nfs/dbraw/zinc/66/98/66/436669866.db2.gz HPACBWUMLWHAHV-AWEZNQCLSA-N 0 0 348.424 0.559 10 0 ECAERN CCS(=O)(=O)c1cccc(C(=O)N2CCO[C@H](CN(C)C)C2)c1 ZINC000119936159 436674878 /nfs/dbraw/zinc/67/48/78/436674878.db2.gz NBLZHGFEYKLTFU-CQSZACIVSA-N 0 0 340.445 0.883 10 0 ECAERN CCN(CC)C(=O)CN1CCN(Cc2c(C)nn(C)c2OC)CC1 ZINC000121925875 436727678 /nfs/dbraw/zinc/72/76/78/436727678.db2.gz IHHMPJGGQXHLBX-UHFFFAOYSA-N 0 0 337.468 0.723 10 0 ECAERN C[C@@H]1CC[C@H](C(=O)Nc2cnn(CC(=O)N3CCN(C)CC3)c2)O1 ZINC000152502916 436730794 /nfs/dbraw/zinc/73/07/94/436730794.db2.gz IHNBGOMIFVMBQY-TZMCWYRMSA-N 0 0 335.408 0.163 10 0 ECAERN CN(C(=O)[C@H]1CCN(C)C(=O)C1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000122143408 436731161 /nfs/dbraw/zinc/73/11/61/436731161.db2.gz WXJIDFYTMRXKJV-UONOGXRCSA-N 0 0 331.420 0.772 10 0 ECAERN Cc1nnc(CN2CCN(S(=O)(=O)c3cccnc3)CC2)n1C ZINC000122950086 436737424 /nfs/dbraw/zinc/73/74/24/436737424.db2.gz TUZYEOKBGXPREJ-UHFFFAOYSA-N 0 0 336.421 0.025 10 0 ECAERN O=C([C@@H]1CNC(=O)C1)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 ZINC000153266692 436753019 /nfs/dbraw/zinc/75/30/19/436753019.db2.gz NJWICRDBJVZIDW-LBPRGKRZSA-N 0 0 335.791 0.647 10 0 ECAERN C[C@H](NC(=O)N1CCN(c2cccnn2)CC1)C(=O)N1CCCCC1 ZINC000153411737 436756963 /nfs/dbraw/zinc/75/69/63/436756963.db2.gz PAOCXUNZRLSLEA-AWEZNQCLSA-N 0 0 346.435 0.709 10 0 ECAERN O=C(N[C@H]1CCc2ncnn2C1)N1CC[C@@H](Oc2ccncc2)C1 ZINC000153768116 436763676 /nfs/dbraw/zinc/76/36/76/436763676.db2.gz NKTUMADFGXXAFS-GXTWGEPZSA-N 0 0 328.376 0.851 10 0 ECAERN C[C@H](CNC(=O)N1CC[C@H](Oc2ccncc2)C1)N1CCOCC1 ZINC000153839793 436763847 /nfs/dbraw/zinc/76/38/47/436763847.db2.gz UFZSRMMYMFSDRZ-ZBFHGGJFSA-N 0 0 334.420 0.965 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)NCCCO[C@@H]1CCOC1)CC2 ZINC000121512790 436718084 /nfs/dbraw/zinc/71/80/84/436718084.db2.gz TYFFVBVSYXIUGQ-CHWSQXEVSA-N 0 0 337.424 0.650 10 0 ECAERN CNc1cc(N2CCC[C@@H]2CNC(=O)NCc2ncn(C)n2)ncn1 ZINC000128002552 436809653 /nfs/dbraw/zinc/80/96/53/436809653.db2.gz XQLVMSNHINUTOY-LLVKDONJSA-N 0 0 345.411 0.115 10 0 ECAERN CCNC(=O)NC1(C(=O)N2CCN(C[C@H](C)O)[C@H](C)C2)CCCC1 ZINC000246674165 436782398 /nfs/dbraw/zinc/78/23/98/436782398.db2.gz IFIGSGBYXWDSRV-KGLIPLIRSA-N 0 0 340.468 0.532 10 0 ECAERN CCS(=O)(=O)NCCCN1CCN(Cc2cnc(C)s2)CC1 ZINC000132507678 436866742 /nfs/dbraw/zinc/86/67/42/436866742.db2.gz STLOISGZRJPAKG-UHFFFAOYSA-N 0 0 346.522 0.899 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)N[C@@H](C)CO[C@@H]1CCOC1)CC2 ZINC000129086348 436824345 /nfs/dbraw/zinc/82/43/45/436824345.db2.gz AIVINILDOCTREE-YNEHKIRRSA-N 0 0 337.424 0.649 10 0 ECAERN CCNC(=O)C(C)(C)CNC(=O)N[C@@H]1CCc2nc(CC)nn2C1 ZINC000129337351 436825921 /nfs/dbraw/zinc/82/59/21/436825921.db2.gz IFISHRPKYUNSBW-LLVKDONJSA-N 0 0 336.440 0.617 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)COc1c(C)nn(C)c1C)CC2 ZINC000133797120 436885812 /nfs/dbraw/zinc/88/58/12/436885812.db2.gz TWESQQKJHRGHIB-LBPRGKRZSA-N 0 0 332.408 0.701 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)Nc1ccc(C(N)=O)nc1)CC2 ZINC000163782494 436927596 /nfs/dbraw/zinc/92/75/96/436927596.db2.gz WFYRCLRIPDGHDT-SNVBAGLBSA-N 0 0 329.364 0.471 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)[C@H](C)NC(=O)CC(C)(C)C)C1 ZINC000263411722 436964724 /nfs/dbraw/zinc/96/47/24/436964724.db2.gz JBKKNYRQJJAZKL-HIFPTAJRSA-N 0 0 341.452 0.981 10 0 ECAERN CCOCCOC1CN(C(=O)NC2CC([N@H+](CC)CC(=O)[O-])C2)C1 ZINC000263492530 436968589 /nfs/dbraw/zinc/96/85/89/436968589.db2.gz RRQMFZXIUWKJJS-UHFFFAOYSA-N 0 0 343.424 0.371 10 0 ECAERN Cc1ccccc1[C@@H](CC(=O)NC[C@@H]1CN(C)CCO1)NC(N)=O ZINC000171287720 436976482 /nfs/dbraw/zinc/97/64/82/436976482.db2.gz KVQSAVXQYRSDEK-UKRRQHHQSA-N 0 0 334.420 0.541 10 0 ECAERN CN(Cc1cnn(C)c1)C(=O)CN1CCC(Nc2cccnn2)CC1 ZINC000171552821 436981047 /nfs/dbraw/zinc/98/10/47/436981047.db2.gz ZTUZURLLNZKRCB-UHFFFAOYSA-N 0 0 343.435 0.745 10 0 ECAERN CN(C)c1cccc(CNC(=O)N2CCO[C@H](Cn3cccn3)C2)n1 ZINC000164300323 436931113 /nfs/dbraw/zinc/93/11/13/436931113.db2.gz PMNFAKUQVUEHDE-HNNXBMFYSA-N 0 0 344.419 0.955 10 0 ECAERN O=S(=O)(c1c(Cl)nc2ccccn21)N1CCO[C@H](CO)C1 ZINC000167122910 436938794 /nfs/dbraw/zinc/93/87/94/436938794.db2.gz AAHFWGQRNLFZCK-VIFPVBQESA-N 0 0 331.781 0.370 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)NCc2cccnc2OC)C1 ZINC000263043047 436949004 /nfs/dbraw/zinc/94/90/04/436949004.db2.gz QKLQFLDXAWAAHU-UHFFFAOYSA-N 0 0 336.392 0.827 10 0 ECAERN Cc1ccc(-n2cnnn2)cc1NC(=O)NC[C@H]1CN(C)CCO1 ZINC000170708067 436951420 /nfs/dbraw/zinc/95/14/20/436951420.db2.gz PPLCKUAOPSIWIT-ZDUSSCGKSA-N 0 0 331.380 0.423 10 0 ECAERN Cc1cnn([C@H]2CCCN(C(=O)CCN3CCCS3(=O)=O)C2)c1 ZINC000171583752 436982360 /nfs/dbraw/zinc/98/23/60/436982360.db2.gz KWBBYBKLZPHQNX-AWEZNQCLSA-N 0 0 340.449 0.781 10 0 ECAERN CN1CC[NH2+]C[C@H]1c1noc(-c2ccccc2[N-]S(C)(=O)=O)n1 ZINC000263171374 436954398 /nfs/dbraw/zinc/95/43/98/436954398.db2.gz FUHRAXHSIQJGPW-LBPRGKRZSA-N 0 0 337.405 0.684 10 0 ECAERN COc1ccc(-n2cc(CNC(=O)[C@@H]3CC(F)(F)CN3)nn2)cc1 ZINC000263192714 436956051 /nfs/dbraw/zinc/95/60/51/436956051.db2.gz IDISWPDMZMYPAX-ZDUSSCGKSA-N 0 0 337.330 0.889 10 0 ECAERN CN1CCO[C@@H](CNC(=O)NCCNC(=O)c2cccs2)C1 ZINC000170922524 436961064 /nfs/dbraw/zinc/96/10/64/436961064.db2.gz XEPVJKDOOVVAIU-NSHDSACASA-N 0 0 326.422 0.108 10 0 ECAERN CN1CCO[C@@H](CNC(=O)NCc2cccnc2-n2cccn2)C1 ZINC000170922264 436961145 /nfs/dbraw/zinc/96/11/45/436961145.db2.gz TVKJSHXQRIBOHW-AWEZNQCLSA-N 0 0 330.392 0.397 10 0 ECAERN CC(=O)NCCNC(=O)N1CCN(c2nc3ccccc3o2)CC1 ZINC000172514998 437016943 /nfs/dbraw/zinc/01/69/43/437016943.db2.gz JDQYEZOAJHHEHD-UHFFFAOYSA-N 0 0 331.376 0.796 10 0 ECAERN CCNC(=O)CNC(=O)N1CCN(c2nc3ccccc3o2)CC1 ZINC000172521326 437017331 /nfs/dbraw/zinc/01/73/31/437017331.db2.gz DKMAADFPCXRPCA-UHFFFAOYSA-N 0 0 331.376 0.796 10 0 ECAERN O=C(c1ccc(-n2ccnc2)nc1)N1CC[C@@H](N2CCOCC2)C1 ZINC000172766958 437029965 /nfs/dbraw/zinc/02/99/65/437029965.db2.gz SYWCYOOAYZFCPI-OAHLLOKOSA-N 0 0 327.388 0.814 10 0 ECAERN Cc1cnn([C@H]2CCCN(C(=O)NCCC(=O)N3CCOCC3)C2)c1 ZINC000171899955 436992700 /nfs/dbraw/zinc/99/27/00/436992700.db2.gz OGGILFLAHLFDDL-HNNXBMFYSA-N 0 0 349.435 0.787 10 0 ECAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)N[C@H](C)C(=O)N(C)C)C2)n1 ZINC000172122825 436998535 /nfs/dbraw/zinc/99/85/35/436998535.db2.gz KJQAOZUXOOOXAF-RISCZKNCSA-N 0 0 336.440 0.793 10 0 ECAERN CCc1nc2n(n1)C[C@H](NS(=O)(=O)CC1CCOCC1)CC2 ZINC000173154577 437040056 /nfs/dbraw/zinc/04/00/56/437040056.db2.gz JNRDCCQZFCASNZ-GFCCVEGCSA-N 0 0 328.438 0.501 10 0 ECAERN CNc1cc(N2CCC[C@@H]2CNC(=O)[C@@H](C)n2cncn2)ncn1 ZINC000173435700 437050815 /nfs/dbraw/zinc/05/08/15/437050815.db2.gz JMRCZUNHUDYEAJ-VXGBXAGGSA-N 0 0 330.396 0.456 10 0 ECAERN CCc1nnc([C@H]2CN(C(=O)CCCNC(=O)C3CC3)CCO2)[nH]1 ZINC000173561920 437055888 /nfs/dbraw/zinc/05/58/88/437055888.db2.gz LJNCLKKQBWKKCD-GFCCVEGCSA-N 0 0 335.408 0.573 10 0 ECAERN Cc1cc(N2CCC[C@@H](NC(=O)N3CCSCC3)C2=O)n(C)n1 ZINC000173558217 437056698 /nfs/dbraw/zinc/05/66/98/437056698.db2.gz YZFMKCNJVNNLTI-GFCCVEGCSA-N 0 0 337.449 0.982 10 0 ECAERN Cc1cc(N2CCC[C@H](NC(=O)N3CCC(CO)CC3)C2=O)n(C)n1 ZINC000173561096 437056787 /nfs/dbraw/zinc/05/67/87/437056787.db2.gz KIXINTLHJYTHFT-AWEZNQCLSA-N 0 0 349.435 0.638 10 0 ECAERN CCc1nnc([C@@H]2CN(C(=O)c3ccc4n[nH]nc4c3)CCO2)[nH]1 ZINC000173608047 437057707 /nfs/dbraw/zinc/05/77/07/437057707.db2.gz VENCXIMILSFFFP-LBPRGKRZSA-N 0 0 327.348 0.852 10 0 ECAERN CCN1CCN(C(=O)N[C@@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 ZINC000173571891 437059119 /nfs/dbraw/zinc/05/91/19/437059119.db2.gz UFPPZQIGPBFJJC-CQSZACIVSA-N 0 0 348.451 0.571 10 0 ECAERN C[C@H]1CN(C(=O)c2ccc(CNC(N)=O)cc2)C[C@H]1N1CCOCC1 ZINC000173812278 437064500 /nfs/dbraw/zinc/06/45/00/437064500.db2.gz BFJQJNRZCLYAQE-XJKSGUPXSA-N 0 0 346.431 0.648 10 0 ECAERN C[C@@H]1CN(C(=O)c2cccc(-n3cnnn3)c2)C[C@@H]1N1CCOCC1 ZINC000173861227 437065518 /nfs/dbraw/zinc/06/55/18/437065518.db2.gz BFSXZSKTCAKBPK-CJNGLKHVSA-N 0 0 342.403 0.455 10 0 ECAERN C[C@H]1CN(C(=O)CNC(=O)CC(C)(C)C)C[C@@H]1N1CCOCC1 ZINC000173836570 437065677 /nfs/dbraw/zinc/06/56/77/437065677.db2.gz PQDMZQDFCKNZDE-KBPBESRZSA-N 0 0 325.453 0.718 10 0 ECAERN Cn1nccc1C1CCN(C(=O)C(C)(C)NS(C)(=O)=O)CC1 ZINC000173852399 437066293 /nfs/dbraw/zinc/06/62/93/437066293.db2.gz BEWBWLFOWCWYLJ-UHFFFAOYSA-N 0 0 328.438 0.454 10 0 ECAERN NC(=O)c1ncn([C@@H]2CCCN(Cc3cn4ccccc4n3)C2)n1 ZINC000299738775 437108347 /nfs/dbraw/zinc/10/83/47/437108347.db2.gz GHJKATDLKGFTHB-CYBMUJFWSA-N 0 0 325.376 0.862 10 0 ECAERN CS(=O)(=O)N1CCCN(c2nccn3c2nnc3C2CC2)CC1 ZINC000302232410 437143604 /nfs/dbraw/zinc/14/36/04/437143604.db2.gz ZDZKNJYVFPFSCF-UHFFFAOYSA-N 0 0 336.421 0.473 10 0 ECAERN NS(=O)(=O)c1ccccc1N1CCN(c2ncns2)CC1 ZINC000302650743 437145760 /nfs/dbraw/zinc/14/57/60/437145760.db2.gz JVFHIXDQXFSJPA-UHFFFAOYSA-N 0 0 325.419 0.512 10 0 ECAERN CCN(CC)S(=O)(=O)CC(=O)N[C@H]1CCCn2nc(C)nc21 ZINC000176545174 437147073 /nfs/dbraw/zinc/14/70/73/437147073.db2.gz HFGHZLQBYAGYRZ-NSHDSACASA-N 0 0 329.426 0.209 10 0 ECAERN CCOCCN1CCN(C(=O)CC2(CS(C)(=O)=O)CC2)C[C@H]1C ZINC000176859755 437158636 /nfs/dbraw/zinc/15/86/36/437158636.db2.gz CRJZGJJOIYAJGA-CQSZACIVSA-N 0 0 346.493 0.771 10 0 ECAERN CCS(=O)(=O)NCCNC(=O)N1CCC[C@@H]1Cn1ccnc1C ZINC000175817275 437117900 /nfs/dbraw/zinc/11/79/00/437117900.db2.gz RZIAZAIJBANWME-CYBMUJFWSA-N 0 0 343.453 0.305 10 0 ECAERN CN1CCC[C@H](N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)C1 ZINC000301308920 437121113 /nfs/dbraw/zinc/12/11/13/437121113.db2.gz XBOJJRJITBAOHL-AWEZNQCLSA-N 0 0 348.472 0.847 10 0 ECAERN CC[C@@H]1CN(C(=O)C(=O)Nc2nc(C)cs2)CCN1CCOC ZINC000176037604 437128232 /nfs/dbraw/zinc/12/82/32/437128232.db2.gz IFOXYZOSKBNLAL-GFCCVEGCSA-N 0 0 340.449 0.959 10 0 ECAERN OC[C@@H]1CCCN(c2cc(NC[C@@H]3CN4CCN3CC4)ncn2)C1 ZINC000301770691 437129973 /nfs/dbraw/zinc/12/99/73/437129973.db2.gz JJBNGFLQAIWJRX-HUUCEWRRSA-N 0 0 332.452 0.097 10 0 ECAERN NC(=O)c1cncc(NCCNc2nnnn2-c2ccccc2)n1 ZINC000301773873 437131792 /nfs/dbraw/zinc/13/17/92/437131792.db2.gz FSIHFSOPVLLBKV-UHFFFAOYSA-N 0 0 325.336 0.075 10 0 ECAERN Nc1nc(N)nc(CN2CCCC[C@@H]2c2nnc3n2CCCC3)n1 ZINC000195510452 303503382 /nfs/dbraw/zinc/50/33/82/303503382.db2.gz SXMPEQHDMBYWBI-SNVBAGLBSA-N 0 0 329.412 0.691 10 0 ECAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CCCn2ncnc21 ZINC000177588118 437189922 /nfs/dbraw/zinc/18/99/22/437189922.db2.gz IUOBGVAOVPPGFM-VXGBXAGGSA-N 0 0 341.437 0.433 10 0 ECAERN CNC(=O)[C@H](NC(=O)N1CCN(Cc2cc(C)on2)CC1)C(C)C ZINC000178414549 437214974 /nfs/dbraw/zinc/21/49/74/437214974.db2.gz XIZSMMIYLQGYIJ-CQSZACIVSA-N 0 0 337.424 0.581 10 0 ECAERN O=C(NC[C@H](O)CN1CCOCC1)c1cnc2ccc(F)cc2c1 ZINC000179476147 437266308 /nfs/dbraw/zinc/26/63/08/437266308.db2.gz LECXFACNEHXLFD-HNNXBMFYSA-N 0 0 333.363 0.797 10 0 ECAERN CC(C)c1nc2c(n1C)CCN(Cc1cn(C)c(=O)n(C)c1=O)C2 ZINC000179556572 437268251 /nfs/dbraw/zinc/26/82/51/437268251.db2.gz HNUHLGJYRVGULV-UHFFFAOYSA-N 0 0 331.420 0.499 10 0 ECAERN CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CN2CCN1CC2 ZINC000178730600 437226449 /nfs/dbraw/zinc/22/64/49/437226449.db2.gz KZQYCHFTZYMNRQ-UONOGXRCSA-N 0 0 340.468 0.796 10 0 ECAERN CNC(=O)[C@H](NC(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1)C(C)C ZINC000178854575 437232606 /nfs/dbraw/zinc/23/26/06/437232606.db2.gz IDAJAUICSDLHOQ-OAHLLOKOSA-N 0 0 346.362 0.872 10 0 ECAERN Cc1ccc(S(=O)(=O)NCCNC(=O)C[C@H](O)C(C)C)cc1 ZINC000178880458 437234967 /nfs/dbraw/zinc/23/49/67/437234967.db2.gz MZRNKBIBYCMAGV-AWEZNQCLSA-N 0 0 328.434 0.797 10 0 ECAERN Cn1cnnc1[C@H]1CN([C@H]2CCN(c3ccccc3)C2=O)CCO1 ZINC000328629492 437241655 /nfs/dbraw/zinc/24/16/55/437241655.db2.gz IHLMBEBWKKHTRG-LSDHHAIUSA-N 0 0 327.388 0.994 10 0 ECAERN Nc1ccc(N[C@@H]2CCCN(C(=O)CCn3cncn3)CC2)cn1 ZINC000328656880 437248871 /nfs/dbraw/zinc/24/88/71/437248871.db2.gz ZSTLBCYYJAMJNO-CYBMUJFWSA-N 0 0 329.408 1.139 10 0 ECAERN CNC(=O)[C@H](NC(=O)CN1CCN(Cc2ccccc2)CC1)C(C)C ZINC000179125046 437251953 /nfs/dbraw/zinc/25/19/53/437251953.db2.gz FACCXRAPDHNHPJ-GOSISDBHSA-N 0 0 346.475 0.691 10 0 ECAERN CN(Cc1c(F)cccc1Cl)C(=O)CN1C[C@H](O)C[C@@H]1CO ZINC000179179247 437255197 /nfs/dbraw/zinc/25/51/97/437255197.db2.gz VVWHOJKZBFLPSM-GHMZBOCLSA-N 0 0 330.787 0.865 10 0 ECAERN Cc1nc2nc(N)nn2c(C)c1CCC(=O)N[C@H]1CCCC[C@@H]1CO ZINC000179212963 437255493 /nfs/dbraw/zinc/25/54/93/437255493.db2.gz SWBWMQKPPJLJIL-OCCSQVGLSA-N 0 0 346.435 0.923 10 0 ECAERN Cc1cc(N2CCC[C@H](NC(=O)Nc3ncnn3C)C2=O)n(C)n1 ZINC000181272699 437314887 /nfs/dbraw/zinc/31/48/87/437314887.db2.gz ITLAHAGAVBBCHK-JTQLQIEISA-N 0 0 332.368 0.174 10 0 ECAERN C[C@H](NC(=O)NCCNC(=O)c1ccn[nH]1)c1nnc2n1CCCC2 ZINC000181462211 437319787 /nfs/dbraw/zinc/31/97/87/437319787.db2.gz SIECOWPISWSFQB-JTQLQIEISA-N 0 0 346.395 0.128 10 0 ECAERN Cc1nnc([C@@H]2CN(C(=O)C(=O)Nc3ccccc3C)CCO2)[nH]1 ZINC000180223613 437283592 /nfs/dbraw/zinc/28/35/92/437283592.db2.gz PMOLESSLHGNMGG-ZDUSSCGKSA-N 0 0 329.360 0.960 10 0 ECAERN NC(=O)[C@@H]1COCCN1C(=O)[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000180270108 437285506 /nfs/dbraw/zinc/28/55/06/437285506.db2.gz YIUMCFOAHNFKIO-WDEREUQCSA-N 0 0 333.171 0.740 10 0 ECAERN CNC(=O)[C@H](NC(=O)C(=O)Nc1c[nH]nc1-c1ccccc1)C(C)C ZINC000180621699 437296283 /nfs/dbraw/zinc/29/62/83/437296283.db2.gz RRXIUBUJFWHVBT-CYBMUJFWSA-N 0 0 343.387 0.902 10 0 ECAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)N[C@H](C)C[S@](C)=O)CCO2)n1 ZINC000182610644 437355905 /nfs/dbraw/zinc/35/59/05/437355905.db2.gz NUKKWPFHGIZCKY-XTAIUZINSA-N 0 0 342.465 0.677 10 0 ECAERN O=C(NC[C@H](O)CN1CCOCC1)c1cccc(Br)n1 ZINC000182587089 437356267 /nfs/dbraw/zinc/35/62/67/437356267.db2.gz WEBTXKLCNBEEON-JTQLQIEISA-N 0 0 344.209 0.267 10 0 ECAERN CC(=O)N[C@@H](CC(C)C)C(=O)N1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000183110590 437374822 /nfs/dbraw/zinc/37/48/22/437374822.db2.gz XOIWCJNXYINIDB-CVEARBPZSA-N 0 0 336.436 0.970 10 0 ECAERN CC[C@@H]1CN(C(=O)NCCCN2CCOCC2)CC[N@@H+]1C[C@@H](C)O ZINC000184683863 437408460 /nfs/dbraw/zinc/40/84/60/437408460.db2.gz HIUGVEZOMYLZOO-HZPDHXFCSA-N 0 0 342.484 0.195 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)N[C@@H](C)c2nnc3ccccn32)CC1 ZINC000184760817 437410112 /nfs/dbraw/zinc/41/01/12/437410112.db2.gz BUUHHSIMTFXOJA-KBPBESRZSA-N 0 0 346.435 0.888 10 0 ECAERN CNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](c3cnn(C)c3)C2)cn1 ZINC000184915431 437417864 /nfs/dbraw/zinc/41/78/64/437417864.db2.gz AAHSCIXFTPWKPA-GFCCVEGCSA-N 0 0 349.416 0.353 10 0 ECAERN Cc1cnn(C[C@@H]2CN(S(=O)(=O)N3CCC[C@@H]3C)CCO2)c1 ZINC000184985942 437420561 /nfs/dbraw/zinc/42/05/61/437420561.db2.gz QQLYIHCACHIGTM-UONOGXRCSA-N 0 0 328.438 0.621 10 0 ECAERN COCC(=O)NC1CN(C[C@@H](O)COCc2ccccc2F)C1 ZINC000185088668 437424120 /nfs/dbraw/zinc/42/41/20/437424120.db2.gz PHWQFQLHFDBGIF-CQSZACIVSA-N 0 0 326.368 0.150 10 0 ECAERN Cc1cc(=O)n(C)cc1NC(=O)C(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000183135863 437377742 /nfs/dbraw/zinc/37/77/42/437377742.db2.gz RYQHVBNCYBYVGQ-UGSOOPFHSA-N 0 0 347.415 0.786 10 0 ECAERN CCO[C@H]1C[C@H](NC(=O)NCCCn2ccnn2)C12CCOCC2 ZINC000185936047 437456137 /nfs/dbraw/zinc/45/61/37/437456137.db2.gz RNFRCFIHGDHZLP-KBPBESRZSA-N 0 0 337.424 0.942 10 0 ECAERN C[C@@H](NC(=O)N1CC(NC(=O)C2CC2)C1)c1nnc2n1CCCC2 ZINC000187605474 437508533 /nfs/dbraw/zinc/50/85/33/437508533.db2.gz INMPPDYAMIKBKW-SNVBAGLBSA-N 0 0 332.408 0.595 10 0 ECAERN O=C(NC1CN(C(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)C1)C1CCC1 ZINC000188469348 437552410 /nfs/dbraw/zinc/55/24/10/437552410.db2.gz ZUHLRFNQEUPAOB-ZDUSSCGKSA-N 0 0 345.399 0.755 10 0 ECAERN Cn1cc(CN2CCCN(C(=O)NOC[C@H]3CCOC3)CC2)cn1 ZINC000190421834 437624598 /nfs/dbraw/zinc/62/45/98/437624598.db2.gz JRMYGRJJDWFHTQ-AWEZNQCLSA-N 0 0 337.424 0.606 10 0 ECAERN CC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2cnn([C@@H](C)C3CC3)c2)C1 ZINC000188529422 437554752 /nfs/dbraw/zinc/55/47/52/437554752.db2.gz GNOYPCSEDVLVGF-SMDDNHRTSA-N 0 0 347.419 0.920 10 0 ECAERN Cn1cc([C@@H]2[C@@H](C(=O)N3C[C@H](O)C(C)(C)C3)CCC(=O)N2C)cn1 ZINC000365794634 437971446 /nfs/dbraw/zinc/97/14/46/437971446.db2.gz KNQCXUQZIYARRC-KCQAQPDRSA-N 0 0 334.420 0.559 10 0 ECAERN C[C@H]1OCC[C@@]1(O)CNS(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C ZINC000365582395 437935847 /nfs/dbraw/zinc/93/58/47/437935847.db2.gz KMGIWALZLZIFOY-GUYJKWIASA-N 0 0 345.461 0.841 10 0 ECAERN NC(=O)[C@@]1(O)CCCN(C(=O)c2nscc2Br)C1 ZINC000404806825 438468204 /nfs/dbraw/zinc/46/82/04/438468204.db2.gz ZHBHPSFABSDTMU-SNVBAGLBSA-N 0 0 334.195 0.358 10 0 ECAERN CC(C)Cc1ncc(NC(=O)N2CC[C@]3(C2)NC(=O)N(C)C3=O)cn1 ZINC000554507648 438765402 /nfs/dbraw/zinc/76/54/02/438765402.db2.gz QEDCAWDMLKITGE-MRXNPFEDSA-N 0 0 346.391 0.833 10 0 ECAERN COc1cccc(C(=O)NCC(=O)N2CC[C@@H](n3ccnn3)C2)c1 ZINC000585321654 439641469 /nfs/dbraw/zinc/64/14/69/439641469.db2.gz ZUAYFOMBYOJRJG-CYBMUJFWSA-N 0 0 329.360 0.490 10 0 ECAERN CCOC(=O)c1ccccc1[C@@H]1COCCN(S(N)(=O)=O)C1 ZINC000616595164 439820601 /nfs/dbraw/zinc/82/06/01/439820601.db2.gz RJDUGYCGYROCEW-NSHDSACASA-N 0 0 328.390 0.483 10 0 ECAERN CCOC(=O)c1ccccc1[C@@H]1CCOCCN1S(N)(=O)=O ZINC000616657477 439820616 /nfs/dbraw/zinc/82/06/16/439820616.db2.gz CQPDTYNBDZQIMZ-ZDUSSCGKSA-N 0 0 328.390 0.830 10 0 ECAERN NC(=O)c1ccc([C@@H]2CNc3ccccc3N2S(N)(=O)=O)cc1 ZINC000616686765 439821010 /nfs/dbraw/zinc/82/10/10/439821010.db2.gz SCADPAHXRXREOO-AWEZNQCLSA-N 0 0 332.385 0.962 10 0 ECAERN Cn1nc(C(F)(F)F)cc1C(=O)N[C@@H]1C[C@H](O)[C@H]1n1cccn1 ZINC000616776456 439822447 /nfs/dbraw/zinc/82/24/47/439822447.db2.gz CYCMRXQSGNVPSE-HDBBIHSSSA-N 0 0 329.282 0.740 10 0 ECAERN NC(=O)C[C@]1(O)CCCN(Cc2cnnn2Cc2ccccc2)C1 ZINC000643747506 440294134 /nfs/dbraw/zinc/29/41/34/440294134.db2.gz HUWVRLQYCCESBC-QGZVFWFLSA-N 0 0 329.404 0.529 10 0 ECAERN O=C(CN1CCCC[C@H](O)C1=O)NCCc1cn2ccccc2n1 ZINC000644293372 440509437 /nfs/dbraw/zinc/50/94/37/440509437.db2.gz FLHFAYNQMYFDRD-AWEZNQCLSA-N 0 0 330.388 0.366 10 0 ECAERN Cc1cc(NC(=O)CN2CCCC[C@@H](O)C2=O)nn1CC(F)(F)F ZINC000644500339 440626117 /nfs/dbraw/zinc/62/61/17/440626117.db2.gz MANHVJRGMSRLDP-SNVBAGLBSA-N 0 0 348.325 1.066 10 0 ECAERN CN1c2ccccc2CN(C(=O)[C@H]2CC[C@H](C(=O)[O-])[NH2+]C2)CC1=O ZINC000630702487 440944667 /nfs/dbraw/zinc/94/46/67/440944667.db2.gz DOAJCTGORYZNAY-WCQYABFASA-N 0 0 331.372 0.444 10 0 ECAERN Cc1cnn(CCNS(=O)(=O)c2cc(C(=O)N(C)C)n(C)c2)c1 ZINC000181207220 320525917 /nfs/dbraw/zinc/52/59/17/320525917.db2.gz IDZDKNMGVXAVLJ-UHFFFAOYSA-N 0 0 339.421 0.210 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)NCCCNC(=O)C(C)C)CC1 ZINC000182051674 320529077 /nfs/dbraw/zinc/52/90/77/320529077.db2.gz MGPFLLSNQNWPIA-CQSZACIVSA-N 0 0 328.457 0.247 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)NCc2ccc(C(N)=O)cc2)CC1 ZINC000184853311 320535328 /nfs/dbraw/zinc/53/53/28/320535328.db2.gz QIBFDSNGZDSGFV-HNNXBMFYSA-N 0 0 334.420 0.384 10 0 ECAERN Cn1cncc1[C@@H]1NC(=O)CC[C@H]1NS(=O)(=O)CC(C)(C)C ZINC000284721550 320633318 /nfs/dbraw/zinc/63/33/18/320633318.db2.gz LNQYOFFFKKKPLA-ZWNOBZJWSA-N 0 0 328.438 0.705 10 0 ECAERN CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C[C@@H]1CCCCC(=O)N1 ZINC000328651379 320725257 /nfs/dbraw/zinc/72/52/57/320725257.db2.gz JRAYHCRGXLHJJK-RYUDHWBXSA-N 0 0 331.438 0.816 10 0 ECAERN CC1(Cn2cc(C(=O)N3CCN[C@H](c4cccnc4)C3)nn2)COC1 ZINC000328661505 320725526 /nfs/dbraw/zinc/72/55/26/320725526.db2.gz WSDXTLBKHYDQQI-AWEZNQCLSA-N 0 0 342.403 0.496 10 0 ECAERN Cn1cc([C@@]2(C)CN([C@@H]3CCN(C4CCOCC4)C3=O)CCO2)cn1 ZINC000328682256 320727102 /nfs/dbraw/zinc/72/71/02/320727102.db2.gz VMXVHXKPKXQVCZ-SJLPKXTDSA-N 0 0 348.447 0.747 10 0 ECAERN Cc1nc(CN2CCN(C(=O)[C@@H](C)N3CCOCC3)CC2)oc1C ZINC000329164167 320757240 /nfs/dbraw/zinc/75/72/40/320757240.db2.gz GTPOPOVIJVXVES-CQSZACIVSA-N 0 0 336.436 0.656 10 0 ECAERN NC(=O)[C@@H]1CCCN(C(=O)CN2C(=O)N[C@]3(CCSC3)C2=O)C1 ZINC000329323713 320766417 /nfs/dbraw/zinc/76/64/17/320766417.db2.gz HQLRNRQFIWPZJE-OTYXRUKQSA-N 0 0 340.405 0.392 10 0 ECAERN O=C(C1CCCC1)N1CCC[C@H]1C(=O)N1CCN2C(=O)NC[C@@H]2C1 ZINC000330275577 320814178 /nfs/dbraw/zinc/81/41/78/320814178.db2.gz LRQQKESUUUYWBL-KGLIPLIRSA-N 0 0 334.420 0.608 10 0 ECAERN Cn1cc(S(=O)(=O)N2CCC(c3ccnn3CCO)CC2)cn1 ZINC000333579766 320920605 /nfs/dbraw/zinc/92/06/05/320920605.db2.gz VOKCXSWRADTJBJ-UHFFFAOYSA-N 0 0 339.421 0.177 10 0 ECAERN CC(=O)N1CCOC[C@H]1C(=O)NCc1ncnn1-c1ccccc1 ZINC000377647960 321876571 /nfs/dbraw/zinc/87/65/71/321876571.db2.gz WDBZSYXGWAULKV-AWEZNQCLSA-N 0 0 329.360 0.131 10 0 ECAERN COc1ccccc1COC[C@H](O)CN1CC(NC(=O)C2CC2)C1 ZINC000187981662 534096316 /nfs/dbraw/zinc/09/63/16/534096316.db2.gz VEBLIFRVCCILEI-MRXNPFEDSA-N 0 0 334.416 0.783 10 0 ECAERN CC(=O)NC1CN(C(=O)C(=O)Nc2cc(C3CCCC3)nn2C)C1 ZINC000191348886 526704957 /nfs/dbraw/zinc/70/49/57/526704957.db2.gz CCAHNTCEKHZPSP-UHFFFAOYSA-N 0 0 333.392 0.363 10 0 ECAERN CC(=O)NC1CN(C(=O)N[C@@H]2CCN(c3ccccc3F)C2=O)C1 ZINC000190088273 526710745 /nfs/dbraw/zinc/71/07/45/526710745.db2.gz SPRJKGLLXVSMQK-CYBMUJFWSA-N 0 0 334.351 0.461 10 0 ECAERN CC1=C[C@@]23C(=O)[C@@H](C=C(CO)[C@H](O)[C@]2(O)[C@@H]1O)[C@@H]1[C@H](C[C@H]3C)C1(C)C ZINC000253590327 535245694 /nfs/dbraw/zinc/24/56/94/535245694.db2.gz VEBVPUXQAPLADL-FFGVVEMBSA-N 0 0 348.439 0.815 10 0 ECAERN CCc1noc(CC)c1CC(=O)NC[C@@H](O)CN1CCOCC1 ZINC000133094335 545795672 /nfs/dbraw/zinc/79/56/72/545795672.db2.gz RPZDGFCWVSGQDC-GFCCVEGCSA-N 0 0 325.409 0.151 10 0 ECAERN CN1CCO[C@@H](CNC(=O)Nc2cnn(Cc3ccccn3)c2)C1 ZINC000175945136 545870093 /nfs/dbraw/zinc/87/00/93/545870093.db2.gz SYHLRMDFWKWDIK-HNNXBMFYSA-N 0 0 330.392 0.779 10 0 ECAERN C[C@H]1CN(C(=O)C(=O)Nc2cnn(Cc3ccccn3)c2)C[C@H](C)O1 ZINC000178783867 545878051 /nfs/dbraw/zinc/87/80/51/545878051.db2.gz FJUUBHLXYTYRGH-STQMWFEESA-N 0 0 343.387 0.901 10 0 ECAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1C[C@H](C)OC[C@@H]1c1ccccc1 ZINC000189167915 545903968 /nfs/dbraw/zinc/90/39/68/545903968.db2.gz BXDGRFDMUODKOX-WBQNTZJQSA-N 0 0 332.400 0.957 10 0 ECAERN CC(C)(C)c1nnc2ccc(N3CC[C@@](O)(Cn4ccnn4)C3)nn21 ZINC000671466249 548153905 /nfs/dbraw/zinc/15/39/05/548153905.db2.gz IXWSVYQOEFCWSZ-INIZCTEOSA-N 0 0 342.407 0.655 10 0 ECAERN Cc1nc2ccccc2n1CC(=O)N1CC[C@](O)(Cn2ccnn2)C1 ZINC000671604686 548201974 /nfs/dbraw/zinc/20/19/74/548201974.db2.gz GAZQYALYOIPRRQ-QGZVFWFLSA-N 0 0 340.387 0.600 10 0 ECAERN O=C([O-])[C@@H]1C[NH2+]C[C@H]1c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000757192790 579459904 /nfs/dbraw/zinc/45/99/04/579459904.db2.gz NGJKLLYCHLEERN-UONOGXRCSA-N 0 0 340.401 0.095 10 0 ECAERN CC(C)(C)OC(=O)N1CCC2(CC(=O)O[C@H]2CS(N)(=O)=O)CC1 ZINC000757223203 579460220 /nfs/dbraw/zinc/46/02/20/579460220.db2.gz MYWMRZZODPNCQK-JTQLQIEISA-N 0 0 348.421 0.608 10 0 ECAERN O=C(Cn1ncc2ccccc21)N1CCC[C@@](O)(c2cn[nH]n2)C1 ZINC000794064702 578571181 /nfs/dbraw/zinc/57/11/81/578571181.db2.gz HXCKNOGDBFDTKM-INIZCTEOSA-N 0 0 326.360 0.665 10 0 ECAERN CN1CCS(=O)(=O)C[C@@H]1CC(=O)N1CCC(=O)C[C@H]1C1CC1 ZINC000891810699 586197987 /nfs/dbraw/zinc/19/79/87/586197987.db2.gz VROJNPZPONWXMY-JSGCOSHPSA-N 0 0 328.434 0.075 10 0 ECAERN CCN1CCN(C2CCN(C(=O)c3cccn4nnnc34)CC2)C1=O ZINC000896333846 586234803 /nfs/dbraw/zinc/23/48/03/586234803.db2.gz JJATXBJPPXKVGO-UHFFFAOYSA-N 0 0 343.391 0.486 10 0 ECAERN Cn1cnnc1C[C@@]1(O)CCCN(Cc2nnnn2C(C)(C)C)C1 ZINC000888077809 586246039 /nfs/dbraw/zinc/24/60/39/586246039.db2.gz WBTFPWAQCCZRHS-HNNXBMFYSA-N 0 0 334.428 0.126 10 0 ECAERN Cn1c(C(=O)N[C@H]2C[C@@H](O)[C@@H]2n2cccn2)cc2ccccc2c1=O ZINC000888079120 586246552 /nfs/dbraw/zinc/24/65/52/586246552.db2.gz ARYFKJSKBMJPDC-NUEKZKHPSA-N 0 0 338.367 0.839 10 0 ECAERN Cc1ccccc1OCCCNC(=O)c1cn([C@@H]2COC[C@H]2O)nn1 ZINC000888093768 586348473 /nfs/dbraw/zinc/34/84/73/586348473.db2.gz RSXQGJZBROMBBT-HUUCEWRRSA-N 0 0 346.387 0.718 10 0 ECAERN O=C(N[C@@H]1C[C@@H](O)C12CCOCC2)c1ccc(-n2cncn2)cc1 ZINC000888094582 586349046 /nfs/dbraw/zinc/34/90/46/586349046.db2.gz CODVQEGQUFJYMF-HUUCEWRRSA-N 0 0 328.372 0.927 10 0 ECAERN Cn1cccc1C(=O)N[C@@H]1CCCC[C@@H]1Cc1nn(C)c(=O)n1C ZINC000888098309 586350001 /nfs/dbraw/zinc/35/00/01/586350001.db2.gz FTYAFGARRSRNLC-CHWSQXEVSA-N 0 0 331.420 0.989 10 0 ECAERN CC(C)(O)[C@H](O)C(=O)NC[C@@H]1C[C@H](F)CN1Cc1cccs1 ZINC000907569231 586737218 /nfs/dbraw/zinc/73/72/18/586737218.db2.gz DSUMYMQPDNFOFY-GMXVVIOVSA-N 0 0 330.425 0.909 10 0 ECAERN Cc1nc2cncc(N3CCN(C(=O)c4cnc(C)n4C)CC3)n2n1 ZINC000907574906 586738442 /nfs/dbraw/zinc/73/84/42/586738442.db2.gz IWOIHZUMTIXFIG-UHFFFAOYSA-N 0 0 340.391 0.437 10 0 ECAERN O=C1CCCN1C[C@H](O)CN1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000111690370 589563506 /nfs/dbraw/zinc/56/35/06/589563506.db2.gz FVTCAGVBODDLKA-QZTJIDSGSA-N 0 0 347.459 0.321 10 0 ECAERN C[C@@H]1CC[C@H](C(=O)NC2CCN(S(=O)(=O)C(F)(F)F)CC2)O1 ZINC000121760401 589823360 /nfs/dbraw/zinc/82/33/60/589823360.db2.gz NGGPDNNPZLLKLN-PSASIEDQSA-N 0 0 344.355 0.984 10 0 ECAERN Cn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2ccc3c(n2)OCCO3)cn1 ZINC000862921464 589973611 /nfs/dbraw/zinc/97/36/11/589973611.db2.gz SXSIFDSFXFBUCE-GXTWGEPZSA-N 0 0 346.343 0.163 10 0 ECAERN Cn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2cnn3ncccc23)cn1 ZINC000862922380 589974019 /nfs/dbraw/zinc/97/40/19/589974019.db2.gz AIOAXNZRAPCXJT-GXTWGEPZSA-N 0 0 328.332 0.039 10 0 ECAERN COCc1nn(CN2CCO[C@H](c3nc(C)cs3)C2)c(=O)o1 ZINC000119613512 590033499 /nfs/dbraw/zinc/03/34/99/590033499.db2.gz JSTSYEFCNGZDRR-JTQLQIEISA-N 0 0 326.378 0.779 10 0 ECAERN Cn1ncnc1CN1CC[C@H](c2cc(=O)[nH]c(N3CCCC3)n2)C1 ZINC000864331334 590070975 /nfs/dbraw/zinc/07/09/75/590070975.db2.gz MSQLFDLCMAVEFK-LBPRGKRZSA-N 0 0 329.408 0.900 10 0 ECAERN C[C@@H]1CN(Cn2nc(-c3ccccc3F)ccc2=O)C[C@@H](C(N)=O)O1 ZINC000120217367 590101616 /nfs/dbraw/zinc/10/16/16/590101616.db2.gz LSIOISZEMUXLNT-ABAIWWIYSA-N 0 0 346.362 0.582 10 0 ECAERN Cc1cnn(CC(=O)N2CC[C@@H](c3cc(=O)[nH]c(N(C)C)n3)C2)c1 ZINC000864842393 590110626 /nfs/dbraw/zinc/11/06/26/590110626.db2.gz PBGDEHPGWBNYMV-GFCCVEGCSA-N 0 0 330.392 0.769 10 0 ECAERN CC(C)c1nc([C@H]2CCCN2Cn2nnc3c(cnn3C)c2=O)no1 ZINC000132522549 590650006 /nfs/dbraw/zinc/65/00/06/590650006.db2.gz VZQKUFWJKJRNJM-LLVKDONJSA-N 0 0 344.379 0.826 10 0 ECAERN Cn1ccnc1[C@@H]1[C@@H](CNC(=O)CCn2cccn2)CCC(=O)N1C ZINC000886027414 590786854 /nfs/dbraw/zinc/78/68/54/590786854.db2.gz WYFSGHZPHFZILG-CJNGLKHVSA-N 0 0 344.419 0.733 10 0 ECAERN Cn1cnc(C(=O)NC[C@H]2CCC(=O)N(C)[C@@H]2c2cnn(C)c2)c1 ZINC000886028065 590787340 /nfs/dbraw/zinc/78/73/40/590787340.db2.gz ZDLWHGPGQYEVEM-ABAIWWIYSA-N 0 0 330.392 0.493 10 0 ECAERN Cc1nc(C)c(C(=O)NC[C@@H]2OCCN(C)[C@H]2c2ccnn2C)o1 ZINC000886079048 590791556 /nfs/dbraw/zinc/79/15/56/590791556.db2.gz CLEZKAZFPZWIHR-KBPBESRZSA-N 0 0 333.392 0.827 10 0 ECAERN CO[C@@H]1CN(C(=O)c2nn(C)c3c2CCCC3)C[C@H]1c1cn(C)nn1 ZINC000886077731 590791765 /nfs/dbraw/zinc/79/17/65/590791765.db2.gz DOGGVAXRSMKZDB-SWLSCSKDSA-N 0 0 344.419 0.682 10 0 ECAERN CCc1c(C(=O)N2CCC[C@@](O)(Cc3nncn3C)C2)ccn1C ZINC000886084499 590792629 /nfs/dbraw/zinc/79/26/29/590792629.db2.gz BPKAVNCCDFTTDV-QGZVFWFLSA-N 0 0 331.420 0.926 10 0 ECAERN Cc1cnn([C@H]2[C@H](O)C[C@@H]2NC(=O)c2cn3nccc3nc2C)c1 ZINC000886094627 590794224 /nfs/dbraw/zinc/79/42/24/590794224.db2.gz BHKOPROHPCDMGB-GZBFAFLISA-N 0 0 326.360 0.647 10 0 ECAERN Cn1ccnc1[C@@H]1[C@@H](CNc2ccc3nncn3n2)CCC(=O)N1C ZINC000886093723 590794272 /nfs/dbraw/zinc/79/42/72/590794272.db2.gz FIKLOYJTHNBADA-ABAIWWIYSA-N 0 0 340.391 0.879 10 0 ECAERN CNC(=O)[C@]1(COC)CCCN1Cc1noc(C2CCOCC2)n1 ZINC000886096721 590795831 /nfs/dbraw/zinc/79/58/31/590795831.db2.gz AMGVXFJLEQISTD-MRXNPFEDSA-N 0 0 338.408 0.691 10 0 ECAERN CN(C)c1nc([C@@H]2CCN(C(=O)Cc3cncn3C)C2)cc(=O)[nH]1 ZINC000827907401 591169300 /nfs/dbraw/zinc/16/93/00/591169300.db2.gz WBEKFCXPCOBCJA-LLVKDONJSA-N 0 0 330.392 0.540 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)N[C@H](C)c2nnnn2C2CC2)CC1 ZINC000188770355 611382741 /nfs/dbraw/zinc/38/27/41/611382741.db2.gz YOGKQHJYBIQEDZ-YPMHNXCESA-N 0 0 337.428 0.167 10 0 ECAERN O=S(=O)(c1ccc(Br)s1)N1CCOC[C@@H]1CO ZINC000168676009 609031773 /nfs/dbraw/zinc/03/17/73/609031773.db2.gz TXSIKVJZEYONEP-ZETCQYMHSA-N 0 0 342.236 0.892 10 0 ECAERN COC(=O)[C@H]1C[C@H]1C(=O)OCCn1cc(Br)ccc1=O ZINC000181354626 609099400 /nfs/dbraw/zinc/09/94/00/609099400.db2.gz YFKLYTHOGUPHDV-VHSXEESVSA-N 0 0 344.161 0.963 10 0 ECAERN CN1C(=O)CC[C@@H]1C(=O)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000188428565 611684832 /nfs/dbraw/zinc/68/48/32/611684832.db2.gz XTESBDDDMQXHEN-CVEARBPZSA-N 0 0 331.416 0.485 10 0 ECAERN CNC(=O)c1[nH]nc2c1[C@H](c1cnn3c1nc(C)cc3C)CC(=O)N2 ZINC000067714650 609423788 /nfs/dbraw/zinc/42/37/88/609423788.db2.gz BFOXLIODAMZRSU-VIFPVBQESA-N 0 0 339.359 0.903 10 0 ECAERN CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)CNC(=O)N1CCCC1 ZINC000908361802 609651835 /nfs/dbraw/zinc/65/18/35/609651835.db2.gz QKPCBVAKUBVERB-VXGBXAGGSA-N 0 0 331.438 0.264 10 0 ECAERN CN1C(=O)CC[C@H](C(=O)NC2CC(CO)(CO)C2)[C@@H]1c1ccccc1 ZINC000913314396 609665323 /nfs/dbraw/zinc/66/53/23/609665323.db2.gz KBAYYRBTUSLMLB-RDJZCZTQSA-N 0 0 346.427 0.846 10 0 ECAERN O=C(Cc1cccc(F)c1)NCC(=O)N[C@@H]1C[C@H](O)[C@H]1n1cccn1 ZINC000909161582 609682540 /nfs/dbraw/zinc/68/25/40/609682540.db2.gz NGNKJDYZEKYNBO-KEYYUXOJSA-N 0 0 346.362 0.172 10 0 ECAERN C[C@H]1C[C@@H]1NC(=O)Cn1cnc2c(c(Br)nn2C)c1=O ZINC000171046107 609756535 /nfs/dbraw/zinc/75/65/35/609756535.db2.gz NWHXTISRFVTBNO-BQBZGAKWSA-N 0 0 340.181 0.417 10 0 ECAERN COC[C@]1(C)NC(=O)N(CN2CCC(c3ccnn3C)CC2)C1=O ZINC000152189112 609838547 /nfs/dbraw/zinc/83/85/47/609838547.db2.gz NFSAQSNYHSPRLP-INIZCTEOSA-N 0 0 335.408 0.514 10 0 ECAERN O=C(NC[C@H](O)CN1CCOCC1)c1cc2ccccc2oc1=O ZINC000154116688 609945320 /nfs/dbraw/zinc/94/53/20/609945320.db2.gz LYZXATKSTUBKRJ-ZDUSSCGKSA-N 0 0 332.356 0.216 10 0 ECAERN CCc1ccc(N2C[C@@H](C(=O)N3CCOC[C@H]3CO)CC2=O)cc1 ZINC000912427039 609958228 /nfs/dbraw/zinc/95/82/28/609958228.db2.gz GQUMTXDFHRRNAX-GOEBONIOSA-N 0 0 332.400 0.822 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)NCC[S@@](=O)C(C)(C)C)CC1 ZINC000181780340 610167321 /nfs/dbraw/zinc/16/73/21/610167321.db2.gz ZWPYSCHRYIDKMP-WHEQGISXSA-N 0 0 333.498 0.632 10 0 ECAERN Cc1cc(N2CCC[C@@H](N[C@H]3CCCS(=O)(=O)C3)C2=O)n(C)n1 ZINC000182341618 610293002 /nfs/dbraw/zinc/29/30/02/610293002.db2.gz UZRJYWKWOAFGLZ-QWHCGFSZSA-N 0 0 340.449 0.391 10 0 ECAERN O=C(NCc1cccnc1)[C@H]1CN(c2ncnc3[nH]ccc32)CCN1 ZINC000072156464 610678625 /nfs/dbraw/zinc/67/86/25/610678625.db2.gz NBLMBKVCMUJWEC-CQSZACIVSA-N 0 0 337.387 0.448 10 0 ECAERN Cc1cnn(C[C@H]2CN(Cn3cc4[nH]cccc-4c3=O)CCO2)c1 ZINC000190249491 612057909 /nfs/dbraw/zinc/05/79/09/612057909.db2.gz MZTPLAHFWAWWFV-CQSZACIVSA-N 0 0 327.388 0.901 10 0 ECAERN C[C@H]1CN(C(=O)c2ccn(CC(F)F)n2)C[C@H]1N1CCOCC1 ZINC000194223520 612150749 /nfs/dbraw/zinc/15/07/49/612150749.db2.gz GMBGUMXUMABNQL-WCQYABFASA-N 0 0 328.363 0.941 10 0 ECAERN COC[C@]1(C)NC(=O)N(CN2CCC[C@H](n3cc(C)cn3)C2)C1=O ZINC000247152812 612825457 /nfs/dbraw/zinc/82/54/57/612825457.db2.gz SDRNBLHYYLJMCN-BBRMVZONSA-N 0 0 335.408 0.743 10 0 ECAERN CN1CCO[C@H](C(=O)N2CC[C@](O)(Cc3ccc(F)cc3)C2)C1=O ZINC000911192320 760234057 /nfs/dbraw/zinc/23/40/57/760234057.db2.gz WPMQNUOLZTWEEE-YOEHRIQHSA-N 0 0 336.363 0.189 10 0 ECAERN CCc1nn(C)c(OC)c1CNC(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188914205 529767816 /nfs/dbraw/zinc/76/78/16/529767816.db2.gz WGUCVVOJYDXRHC-UHFFFAOYSA-N 0 0 349.435 0.801 10 0 ECAERN CN(C)c1cc(C(=O)N2CCOC[C@H]2C(N)=O)c2ccccc2n1 ZINC000183691918 529771537 /nfs/dbraw/zinc/77/15/37/529771537.db2.gz MQVDNKJDKKSQIH-AWEZNQCLSA-N 0 0 328.372 0.627 10 0 ECAERN OC[C@H]1O[C@@H](n2cnc3c2nc(Cl)nc3NC2CC2)C[C@@H]1O ZINC000013804199 201916896 /nfs/dbraw/zinc/91/68/96/201916896.db2.gz YJMBVALXDOYQIL-DJLDLDEBSA-N 0 0 325.756 0.695 10 0 ECAERN CN1C(=O)CC[C@@H](C(=O)NCC(=O)NC2CC2)[C@H]1c1ccccc1 ZINC000171987336 282608692 /nfs/dbraw/zinc/60/86/92/282608692.db2.gz LKYRFMSXJJZYHM-RHSMWYFYSA-N 0 0 329.400 0.991 10 0 ECAERN CC(=O)N1CCC2(CC1)OC(=O)C(C)=C2C(=O)NC[C@@H]1CCCO1 ZINC000020531795 202047779 /nfs/dbraw/zinc/04/77/79/202047779.db2.gz FVCLTAZLIOROFZ-ZDUSSCGKSA-N 0 0 336.388 0.536 10 0 ECAERN O=C(NC1CN(C(=O)c2ccc(=O)n(-c3ccccc3)n2)C1)C1CC1 ZINC000189479136 236939686 /nfs/dbraw/zinc/93/96/86/236939686.db2.gz OVPIPLXDQMMMLL-UHFFFAOYSA-N 0 0 338.367 0.583 10 0 ECAERN CCOCCN1CCN([C@@H](C)C(=O)NC(=O)NCC(C)C)C[C@@H]1C ZINC000105835164 545739432 /nfs/dbraw/zinc/73/94/32/545739432.db2.gz GRIUESZMOSPIDY-GJZGRUSLSA-N 0 0 342.484 0.899 10 0 ECAERN COc1cc2[nH]c(=O)n(CCCN3CCOCC3)c(=O)c2cc1OC ZINC000073658109 202370630 /nfs/dbraw/zinc/37/06/30/202370630.db2.gz CYINLCVSWPUTKC-UHFFFAOYSA-N 0 0 349.387 0.429 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)CS(=O)(=O)CC(C)C)CC2 ZINC000114869725 201072037 /nfs/dbraw/zinc/07/20/37/201072037.db2.gz MHAOZVFWRULDFY-NSHDSACASA-N 0 0 328.438 0.342 10 0 ECAERN CCCCCS(=O)(=O)CC(=O)N[C@@H]1CCc2nc(CC)nn2C1 ZINC000114863795 201072257 /nfs/dbraw/zinc/07/22/57/201072257.db2.gz RINYWPDOCQIBDW-GFCCVEGCSA-N 0 0 342.465 0.877 10 0 ECAERN C[C@H]1CN(C(=O)CN2CCCN(Cc3cnn(C)c3)CC2)C[C@H](C)O1 ZINC000105869473 201060509 /nfs/dbraw/zinc/06/05/09/201060509.db2.gz NCTICYDFDNYABK-HOTGVXAUSA-N 0 0 349.479 0.564 10 0 ECAERN O=C(CNC(=O)N[C@H]1CCc2ncnn2C1)N1CCc2ccccc21 ZINC000112747808 201066545 /nfs/dbraw/zinc/06/65/45/201066545.db2.gz GGZMCYZVIFMKEX-ZDUSSCGKSA-N 0 0 340.387 0.481 10 0 ECAERN CN(C)C(=O)C1(CNC(=O)NC[C@H]2CN(C)CCO2)CCCC1 ZINC000113389317 201068465 /nfs/dbraw/zinc/06/84/65/201068465.db2.gz PUCZNSSHCJPWLX-ZDUSSCGKSA-N 0 0 326.441 0.265 10 0 ECAERN CN1C(=O)c2cccc3cc(S(=O)(=O)NCCCO)cc(c32)C1=O ZINC000041124753 201090245 /nfs/dbraw/zinc/09/02/45/201090245.db2.gz MFMMLGBZVZFOTB-UHFFFAOYSA-N 0 0 348.380 0.726 10 0 ECAERN NS(=O)(=O)c1cc(C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)co1 ZINC000120776981 201082940 /nfs/dbraw/zinc/08/29/40/201082940.db2.gz YWPXWYAPDPGZHP-RISCZKNCSA-N 0 0 328.390 0.694 10 0 ECAERN C[C@@H](NC(=O)C(=O)Nc1ccccc1Cn1cncn1)[C@H]1CCCO1 ZINC000071065492 201169875 /nfs/dbraw/zinc/16/98/75/201169875.db2.gz RXEHOZIGOAHCIB-IUODEOHRSA-N 0 0 343.387 0.949 10 0 ECAERN NC(=O)[C@@]1(O)CCCN(C(=O)c2ccc(Br)nc2)C1 ZINC000285402062 201331542 /nfs/dbraw/zinc/33/15/42/201331542.db2.gz GZFMXRJYNKMTCJ-GFCCVEGCSA-N 0 0 328.166 0.297 10 0 ECAERN CO[C@]1(C(=O)NCCCn2cc(Br)cn2)CCOC1 ZINC000288356229 201336543 /nfs/dbraw/zinc/33/65/43/201336543.db2.gz MEMGVEWCKULUIN-GFCCVEGCSA-N 0 0 332.198 0.957 10 0 ECAERN NC(=O)[C@@]1(O)CCCN(C(=O)c2ccc(Br)cc2)C1 ZINC000285406156 201332299 /nfs/dbraw/zinc/33/22/99/201332299.db2.gz HEQUYYCAKKGXRO-CYBMUJFWSA-N 0 0 327.178 0.902 10 0 ECAERN CCOC(=O)CN(C[C@H](O)CN1C(=O)c2ccccc2C1=O)C(C)C ZINC000299139594 201354307 /nfs/dbraw/zinc/35/43/07/201354307.db2.gz RSADEIWYJKGWDJ-ZDUSSCGKSA-N 0 0 348.399 0.917 10 0 ECAERN CN(C)c1ccc(C(=O)N2C[C@@H](C(N)=O)[C@H](C(F)(F)F)C2)cn1 ZINC000299745081 202560677 /nfs/dbraw/zinc/56/06/77/202560677.db2.gz WAKAMIRQUJSDRT-NXEZZACHSA-N 0 0 330.310 0.883 10 0 ECAERN O=C(Nc1ccc(Cl)cn1)C(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000193474759 240178084 /nfs/dbraw/zinc/17/80/84/240178084.db2.gz HVNAFMFDIHNWMC-GFCCVEGCSA-N 0 0 349.778 0.798 10 0 ECAERN C[C@@H](Oc1cccc(C(=O)NCCO)c1)C(=O)NCC(F)(F)F ZINC000069967860 203065993 /nfs/dbraw/zinc/06/59/93/203065993.db2.gz FCUVRFMZMQHHOD-SECBINFHSA-N 0 0 334.294 0.855 10 0 ECAERN O=c1oc2cc(O[C@@H]3OC[C@H](O)[C@@H](O)[C@H]3O)ccc2c2c1CCCC2 ZINC000254559011 244045029 /nfs/dbraw/zinc/04/50/29/244045029.db2.gz TUFBIYDHLYDRIV-ZDRJDWQYSA-N 0 0 348.351 0.490 10 0 ECAERN Cc1nc(CCC(N)=O)cc([C@H]2CCCCN2S(C)(=O)=O)n1 ZINC000072366383 203207358 /nfs/dbraw/zinc/20/73/58/203207358.db2.gz FQCHBXVHZNZYJG-CYBMUJFWSA-N 0 0 326.422 0.690 10 0 ECAERN COC(=O)c1ncnn1[C@@H]1O[C@H](COC(C)=O)[C@H]2OC(C)(C)O[C@H]21 ZINC000077301478 203377936 /nfs/dbraw/zinc/37/79/36/203377936.db2.gz SAFLYGBMCFKROS-DNRKLUKYSA-N 0 0 341.320 0.045 10 0 in-vitro ECAERN CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N1CCN(CCO)CC1 ZINC000078344660 203416656 /nfs/dbraw/zinc/41/66/56/203416656.db2.gz PMRGKJCVDFVLOU-WBVHZDCISA-N 0 0 347.459 0.968 10 0 ECAERN Cc1c(C(=O)N2CCOC[C@H]2C(N)=O)nnn1-c1ccccc1Cl ZINC000180273067 291504480 /nfs/dbraw/zinc/50/44/80/291504480.db2.gz XKTCOCPDDOSZMN-LBPRGKRZSA-N 0 0 349.778 0.555 10 0 ECAERN CNC(=C[N+](=O)[O-])NCC[S@](=O)Cc1csc(CN(C)C)n1 ZINC000101696941 204019038 /nfs/dbraw/zinc/01/90/38/204019038.db2.gz TZKMWRJRDCJAFI-NOUTYMABSA-N 0 0 347.466 0.338 10 0 in-vitro ECAERN Nc1c(C(=O)CN2CCO[C@H]3CCCC[C@@H]32)c(=O)[nH]c(=O)n1C1CC1 ZINC000103470057 204080912 /nfs/dbraw/zinc/08/09/12/204080912.db2.gz NTLKIDXJSBGCAF-AAEUAGOBSA-N 0 0 348.403 0.280 10 0 ECAERN CN1CCO[C@H](CNC(=O)N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000104799716 204121858 /nfs/dbraw/zinc/12/18/58/204121858.db2.gz NQPYTTZYEFPERO-MRXNPFEDSA-N 0 0 336.411 0.988 10 0 ECAERN Cc1csc(N2CCN(C(=O)NC[C@H]3CN(C)CCO3)CC2)n1 ZINC000104797726 204122411 /nfs/dbraw/zinc/12/24/11/204122411.db2.gz KRSWMJOTDUAPNI-ZDUSSCGKSA-N 0 0 339.465 0.614 10 0 ECAERN C[C@H](NC(=O)c1ccoc1)C(=O)N1CCCN(c2cccnn2)CC1 ZINC000105811170 204161915 /nfs/dbraw/zinc/16/19/15/204161915.db2.gz ACTGZSXHULNNRX-ZDUSSCGKSA-N 0 0 343.387 0.927 10 0 ECAERN CCOc1ccnc(N2CCN(C(=O)c3cnc(C)cn3)CC2)n1 ZINC000105819794 204165155 /nfs/dbraw/zinc/16/51/55/204165155.db2.gz RTQRSOWWBNRIGX-UHFFFAOYSA-N 0 0 328.376 0.936 10 0 ECAERN COCCN1CCN(CC(=O)NCc2ccccc2OC)C[C@H]1C ZINC000105831990 204167774 /nfs/dbraw/zinc/16/77/74/204167774.db2.gz ZJVWEWJHZZTACD-OAHLLOKOSA-N 0 0 335.448 0.964 10 0 ECAERN Cn1cc(CN2CCCN(C(=O)CNC(=O)C(C)(C)C)CC2)cn1 ZINC000105827103 204167801 /nfs/dbraw/zinc/16/78/01/204167801.db2.gz MDOOGXSMXYGGIQ-UHFFFAOYSA-N 0 0 335.452 0.617 10 0 ECAERN Cc1cnn([C@@H]2CCCN(C(=O)Cn3nc4ccccn4c3=O)C2)c1 ZINC000105858934 204170871 /nfs/dbraw/zinc/17/08/71/204170871.db2.gz OPYZZIYUSQPKKL-CQSZACIVSA-N 0 0 340.387 0.865 10 0 ECAERN Cn1cc([C@@H]2CCCN2C(=O)NCCCN2C(=O)CCC2=O)cn1 ZINC000106273158 204189763 /nfs/dbraw/zinc/18/97/63/204189763.db2.gz YEYRPWPHYGYOIZ-ZDUSSCGKSA-N 0 0 333.392 0.806 10 0 ECAERN CC(C)CS(=O)(=O)CCC(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111077676 204334517 /nfs/dbraw/zinc/33/45/17/204334517.db2.gz NZLCMVONHZXVKH-CQSZACIVSA-N 0 0 343.449 0.571 10 0 ECAERN Cc1noc([C@H](C)N2CCN(CC(=O)NCc3cccnc3)CC2)n1 ZINC000111228515 204344277 /nfs/dbraw/zinc/34/42/77/204344277.db2.gz CCZTYLMSDOQYMJ-ZDUSSCGKSA-N 0 0 344.419 0.768 10 0 ECAERN COc1c(C(=O)N2CCO[C@@H](Cn3cc(C)cn3)C2)c(C)nn1C ZINC000112298117 204391620 /nfs/dbraw/zinc/39/16/20/204391620.db2.gz AAYWNVWHKPKGCT-CYBMUJFWSA-N 0 0 333.392 0.783 10 0 ECAERN COCC(=O)N(C)CC(=O)NC1(c2noc(C3CC3)n2)CCCC1 ZINC000119725563 204677820 /nfs/dbraw/zinc/67/78/20/204677820.db2.gz NNQQDUFQIKLJCJ-UHFFFAOYSA-N 0 0 336.392 0.937 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)Cn2cnc(-c3ccccc3)n2)CC1 ZINC000132979793 205351629 /nfs/dbraw/zinc/35/16/29/205351629.db2.gz FAZNIWZDXXBOFO-INIZCTEOSA-N 0 0 343.431 0.860 10 0 ECAERN CCN(CC)S(=O)(=O)N1CCO[C@@H](Cn2nc(C)cc2C)C1 ZINC000111345040 220142265 /nfs/dbraw/zinc/14/22/65/220142265.db2.gz RDCBHRFRJPGHPL-CQSZACIVSA-N 0 0 330.454 0.787 10 0 ECAERN O=C(COc1ccc2c(c1)CCCC2)NC[C@@H](O)CN1CCOCC1 ZINC000133121940 205357260 /nfs/dbraw/zinc/35/72/60/205357260.db2.gz UIXYOMKWQNWYLY-QGZVFWFLSA-N 0 0 348.443 0.754 10 0 ECAERN CC[C@@H](Oc1cccc(C)c1)C(=O)NC[C@H](O)CN1CCOCC1 ZINC000132651794 205336239 /nfs/dbraw/zinc/33/62/39/205336239.db2.gz XBNPJVNGQLVPBH-DOTOQJQBSA-N 0 0 336.432 0.962 10 0 ECAERN CC[C@H](Oc1cccc(C)c1)C(=O)NC[C@@H](O)CN1CCOCC1 ZINC000132651995 205336409 /nfs/dbraw/zinc/33/64/09/205336409.db2.gz XBNPJVNGQLVPBH-WBVHZDCISA-N 0 0 336.432 0.962 10 0 ECAERN COc1ccccc1[C@H](C)CC(=O)NC[C@H](O)CN1CCOCC1 ZINC000132961114 205349469 /nfs/dbraw/zinc/34/94/69/205349469.db2.gz FEWXWUZLWYOIPK-CABCVRRESA-N 0 0 336.432 0.998 10 0 ECAERN CN1CCO[C@H](CNS(=O)(=O)c2c[nH]c3nccc(Cl)c23)C1 ZINC000155989330 206047475 /nfs/dbraw/zinc/04/74/75/206047475.db2.gz SXHVZYKORLOAAL-SECBINFHSA-N 0 0 344.824 0.825 10 0 ECAERN CCOCCN1CCN(C(=O)C(=O)Nc2cnn(C)c2)C[C@H]1CC ZINC000158368473 206188444 /nfs/dbraw/zinc/18/84/44/206188444.db2.gz ORVTVCVOHWGDJK-CQSZACIVSA-N 0 0 337.424 0.318 10 0 ECAERN CC(C)[C@@H](O)CC(=O)Nc1ncn(CC(=O)NCc2ccccc2)n1 ZINC000158628491 206202891 /nfs/dbraw/zinc/20/28/91/206202891.db2.gz DCOUTVSIKCWAGM-AWEZNQCLSA-N 0 0 345.403 0.940 10 0 ECAERN CCC(=O)N1CC[C@H](C(=O)N2CCO[C@H](Cn3cc(C)cn3)C2)C1 ZINC000161920691 206378003 /nfs/dbraw/zinc/37/80/03/206378003.db2.gz MGMPKFZVGAMVSX-GJZGRUSLSA-N 0 0 334.420 0.677 10 0 ECAERN CN(Cc1c(F)cccc1Cl)C(=O)CN1CCOC[C@@H]1C(N)=O ZINC000092229560 218128108 /nfs/dbraw/zinc/12/81/08/218128108.db2.gz METFBHOLZUJDQN-CYBMUJFWSA-N 0 0 343.786 0.624 10 0 ECAERN Cc1cc(N2CCC[C@@H](NC(=O)CNC(=O)C(C)(C)C)C2=O)n(C)n1 ZINC000174994861 207080745 /nfs/dbraw/zinc/08/07/45/207080745.db2.gz NOKVGQZMUQLOKU-GFCCVEGCSA-N 0 0 349.435 0.502 10 0 ECAERN Cc1cc(C(=O)N[C@H]2CCCN(c3cc(C)nn3C)C2=O)n(C)n1 ZINC000175004494 207082436 /nfs/dbraw/zinc/08/24/36/207082436.db2.gz ODNBDKPDIJGVHK-LBPRGKRZSA-N 0 0 330.392 0.696 10 0 ECAERN CCNS(=O)(=O)NC[C@@H](c1ccc(C)s1)N1CCOCC1 ZINC000175218991 207104924 /nfs/dbraw/zinc/10/49/24/207104924.db2.gz MRCDXRFPEVRRNC-LBPRGKRZSA-N 0 0 333.479 0.874 10 0 ECAERN O=C(Nc1ccc(-n2ccnc2)nc1)C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000177177462 207302279 /nfs/dbraw/zinc/30/22/79/207302279.db2.gz YRPQXLWJAWGIFC-OLZOCXBDSA-N 0 0 329.360 0.626 10 0 ECAERN C[C@@](NC(=O)[C@H]1CNC(=O)C1)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000177395010 207330950 /nfs/dbraw/zinc/33/09/50/207330950.db2.gz SRGRUEJPSIYTNU-CLAHSXSESA-N 0 0 343.305 0.658 10 0 ECAERN O=C(Nc1ccc2c(c1)CCO2)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000177628882 207366097 /nfs/dbraw/zinc/36/60/97/207366097.db2.gz BQCIUTYQIIFHTI-LBPRGKRZSA-N 0 0 327.344 0.283 10 0 ECAERN O=C(Nc1ccc(F)cc1)C(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000177654264 207370950 /nfs/dbraw/zinc/37/09/50/207370950.db2.gz RBUBOKHYEBNKBD-AWEZNQCLSA-N 0 0 332.335 0.888 10 0 ECAERN CCOCCS(=O)(=O)N1CCCN(Cc2cnn(CC)c2)CC1 ZINC000112707430 220381471 /nfs/dbraw/zinc/38/14/71/220381471.db2.gz XUZSJQIMOFPVKH-UHFFFAOYSA-N 0 0 344.481 0.777 10 0 ECAERN COC(=O)[C@@]1(C)CCCN1C(=O)Cn1nnc(-c2ccccc2)n1 ZINC000187670082 533123699 /nfs/dbraw/zinc/12/36/99/533123699.db2.gz UPAFFCIQZIBSOA-MRXNPFEDSA-N 0 0 329.360 0.894 10 0 ECAERN Cc1cc(OCC(=O)NC[C@@H](O)CN2CCOCC2)ccc1Cl ZINC000154126999 224207265 /nfs/dbraw/zinc/20/72/65/224207265.db2.gz PAVMGKCMXPJPGS-CYBMUJFWSA-N 0 0 342.823 0.837 10 0 ECAERN CCOCCN1CCN(C(=O)C2CCN(C(C)=O)CC2)C[C@H]1C ZINC000117280118 221041887 /nfs/dbraw/zinc/04/18/87/221041887.db2.gz SLROBIGMVFTVJB-CQSZACIVSA-N 0 0 325.453 0.814 10 0 ECAERN CCCC[C@@H](NC(N)=O)C(=O)N1CCN(CCOCC)[C@H](C)C1 ZINC000117275947 221042275 /nfs/dbraw/zinc/04/22/75/221042275.db2.gz WDRRMHSYQOCXDE-ZIAGYGMSSA-N 0 0 328.457 0.783 10 0 ECAERN COC[C@H](C)S(=O)(=O)N1CCO[C@@H](Cn2nc(C)cc2C)C1 ZINC000117921265 221100508 /nfs/dbraw/zinc/10/05/08/221100508.db2.gz OVWFWHNJYRXHBK-UONOGXRCSA-N 0 0 331.438 0.565 10 0 ECAERN O=CN1CCN([C@@H]2CCc3c2[nH]c(=O)n(C2CCCCC2)c3=O)CC1 ZINC000032603989 296441984 /nfs/dbraw/zinc/44/19/84/296441984.db2.gz KRHVGCWJZYKRBT-OAHLLOKOSA-N 0 0 346.431 0.803 10 0 ECAERN Cn1cc(C[C@@H]2[C@@H](NS(C)(=O)=O)CCN2C(=O)C2CCC2)cn1 ZINC000248143410 257662826 /nfs/dbraw/zinc/66/28/26/257662826.db2.gz RDZQZVJQCLKDCH-UONOGXRCSA-N 0 0 340.449 0.281 10 0 ECAERN Cn1cc(C(=O)N2C[C@H]3COC[C@@]3(COCC3CCOCC3)C2)cn1 ZINC000248135809 257663390 /nfs/dbraw/zinc/66/33/90/257663390.db2.gz OLVSEZZSPAQAQZ-WMZOPIPTSA-N 0 0 349.431 0.952 10 0 ECAERN Cc1nnc(C[C@@H]2OC[C@@H]3CN(C(=O)c4ccnnc4)CC[C@@H]32)o1 ZINC000248000858 257670130 /nfs/dbraw/zinc/67/01/30/257670130.db2.gz FTIQJHXRHPUIOT-IHRRRGAJSA-N 0 0 329.360 0.888 10 0 ECAERN Cc1ncccc1NC(=O)[C@@H]1C[C@H]2CCN(S(C)(=O)=O)C[C@@H]2O1 ZINC000247943318 257673289 /nfs/dbraw/zinc/67/32/89/257673289.db2.gz HEKKHGJWINEWTD-XBFCOCLRSA-N 0 0 339.417 0.768 10 0 ECAERN CCN(CC)C(=O)CN1CCN(C(=O)N[C@H](C)[C@H]2CCCO2)CC1 ZINC000073720316 296615585 /nfs/dbraw/zinc/61/55/85/296615585.db2.gz PTMPEBKKBNWPEI-HUUCEWRRSA-N 0 0 340.468 0.750 10 0 ECAERN CCO[C@H]1C[C@@H](N(C)C(=O)c2cn(CC(N)=O)nn2)C12CCCC2 ZINC000173720862 286466442 /nfs/dbraw/zinc/46/64/42/286466442.db2.gz SYUPKQICQIIMND-OLZOCXBDSA-N 0 0 335.408 0.573 10 0 ECAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)[C@@H]1CCCN(C(N)=O)C1)CC2 ZINC000150713619 164722509 /nfs/dbraw/zinc/72/25/09/164722509.db2.gz AGBLOLKQYNWZJY-VXGBXAGGSA-N 0 0 334.424 0.623 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)N1CCCN(C(C)=O)CC1)CC2 ZINC000172038583 164838431 /nfs/dbraw/zinc/83/84/31/164838431.db2.gz RWIWPFKTZDJZFB-ZDUSSCGKSA-N 0 0 334.424 0.419 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)c1ccc3[nH]c(=O)[nH]c3c1)CC2 ZINC000172259529 164840870 /nfs/dbraw/zinc/84/08/70/164840870.db2.gz UTWMHLQMYLPBBO-SNVBAGLBSA-N 0 0 326.360 0.755 10 0 ECAERN O=C(c1ccnc(-n2ccnc2)c1)N1CC[C@@H](N2CCOCC2)C1 ZINC000172756125 164847373 /nfs/dbraw/zinc/84/73/73/164847373.db2.gz VMHBQGYEZWQGNP-OAHLLOKOSA-N 0 0 327.388 0.814 10 0 ECAERN CC(C)NC(=O)CCCC(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000173832390 164862412 /nfs/dbraw/zinc/86/24/12/164862412.db2.gz KQRBKGNNINAPDI-LSDHHAIUSA-N 0 0 325.453 0.860 10 0 ECAERN Cc1ccccc1-c1noc([C@H](C)S(=O)(=O)C[C@@H](O)CO)n1 ZINC000177670719 164908535 /nfs/dbraw/zinc/90/85/35/164908535.db2.gz OQFNQTYAYIYZRN-QWRGUYRKSA-N 0 0 326.374 0.874 10 0 ECAERN Cc1nnnn1-c1cc(NC(=O)N[C@H](C(N)=O)C(C)C)ccc1F ZINC000184818717 164966287 /nfs/dbraw/zinc/96/62/87/164966287.db2.gz PFVNTTHEDBSGFR-LBPRGKRZSA-N 0 0 335.343 0.741 10 0 ECAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCCOc1cccc(Cl)c1 ZINC000188638059 165000907 /nfs/dbraw/zinc/00/09/07/165000907.db2.gz OSELTAJMWAMAAL-TZMCWYRMSA-N 0 0 326.780 0.817 10 0 ECAERN O=C(NC1CN(C(=O)NCc2nnc3n2CCCCC3)C1)C1CCC1 ZINC000188776930 165002225 /nfs/dbraw/zinc/00/22/25/165002225.db2.gz HIHMZZWADYMHNV-UHFFFAOYSA-N 0 0 346.435 0.815 10 0 ECAERN CCn1c2ccccc2n(CC(=O)N2CCCNC(=O)[C@H]2C)c1=O ZINC000188925840 165004314 /nfs/dbraw/zinc/00/43/14/165004314.db2.gz MCKULSQGFVAEBP-GFCCVEGCSA-N 0 0 330.388 0.560 10 0 ECAERN C[C@@H]1C(=O)NCCCN1Cc1cccc(S(=O)(=O)N(C)C)c1 ZINC000189321394 165007891 /nfs/dbraw/zinc/00/78/91/165007891.db2.gz FNBOJFYEYSGSQH-GFCCVEGCSA-N 0 0 325.434 0.647 10 0 ECAERN COc1cccc(S(=O)(=O)CCN2CCCNC(=O)[C@H]2C)c1 ZINC000189287243 165007963 /nfs/dbraw/zinc/00/79/63/165007963.db2.gz RJJRDWGELRJPNQ-GFCCVEGCSA-N 0 0 326.418 0.679 10 0 ECAERN C[C@@H]1C(=O)NCCCN1CC(=O)N(C)CCOc1ccccc1F ZINC000189319594 165008627 /nfs/dbraw/zinc/00/86/27/165008627.db2.gz MBRDQYYVGCNYHN-CYBMUJFWSA-N 0 0 337.395 0.873 10 0 ECAERN C[C@H](NC(=O)Nc1ccccc1)C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000189418298 165009840 /nfs/dbraw/zinc/00/98/40/165009840.db2.gz LAQHITQGJYQINI-NSHDSACASA-N 0 0 330.388 0.934 10 0 ECAERN CCn1cc([C@@H]2CN(C(=O)NCCN3CCOCC3)CCO2)cn1 ZINC000190295273 165019357 /nfs/dbraw/zinc/01/93/57/165019357.db2.gz KNUWFWCPNLPCGQ-HNNXBMFYSA-N 0 0 337.424 0.318 10 0 ECAERN CC(=O)NC1CN(C(=O)[C@H]2CCCN(C(=O)Cc3ccccc3)C2)C1 ZINC000190496679 165022964 /nfs/dbraw/zinc/02/29/64/165022964.db2.gz RAVVMKORHGIPGG-INIZCTEOSA-N 0 0 343.427 0.815 10 0 ECAERN Cc1nc2cc(NC(=O)C(=O)N3CCCNC(=O)[C@H]3C)ccc2o1 ZINC000190678456 165023510 /nfs/dbraw/zinc/02/35/10/165023510.db2.gz YJDKQULKOBWLRI-SECBINFHSA-N 0 0 330.344 0.812 10 0 ECAERN CC(C)c1nnc2n1CCN(C(=O)NC[C@H]1CN(C)CCO1)[C@H]2C ZINC000190723788 165023682 /nfs/dbraw/zinc/02/36/82/165023682.db2.gz OTBQPHDAGZAZPB-STQMWFEESA-N 0 0 336.440 0.818 10 0 ECAERN Cc1nc2cc(NC(=O)C(=O)N3CCCNC(=O)[C@@H]3C)ccc2o1 ZINC000190678436 165024711 /nfs/dbraw/zinc/02/47/11/165024711.db2.gz YJDKQULKOBWLRI-VIFPVBQESA-N 0 0 330.344 0.812 10 0 ECAERN Cc1nn(C)c2ncc(S(=O)(=O)N3CCCNC(=O)[C@H]3C)cc12 ZINC000190983279 165027276 /nfs/dbraw/zinc/02/72/76/165027276.db2.gz ODMGGNWXURUONW-SNVBAGLBSA-N 0 0 337.405 0.176 10 0 ECAERN CC1=C(C(=O)N2CC(NC(=O)C3CCC3)C2)[C@H](C)n2ncnc2N1C ZINC000192602861 165043244 /nfs/dbraw/zinc/04/32/44/165043244.db2.gz VRRVFSKFODDNPP-NSHDSACASA-N 0 0 344.419 0.690 10 0 ECAERN CN(CC(=O)N1CCO[C@H]2CCCC[C@@H]21)c1ncnc2nc[nH]c21 ZINC000194594355 165068054 /nfs/dbraw/zinc/06/80/54/165068054.db2.gz NURKVAPOCAGNKI-RYUDHWBXSA-N 0 0 330.392 0.959 10 0 ECAERN Cc1cc(=O)c(C(=O)NC[C@H]2CN(C)CCO2)nn1-c1ccccc1 ZINC000194626058 165068916 /nfs/dbraw/zinc/06/89/16/165068916.db2.gz XRZPPNXSLGLSTJ-HNNXBMFYSA-N 0 0 342.399 0.601 10 0 ECAERN Cc1ccnc2nc(C(=O)N[C@@H]3CCc4nnc(C(C)C)n4C3)nn21 ZINC000195265403 165079311 /nfs/dbraw/zinc/07/93/11/165079311.db2.gz OMSONWXXPKNRNE-LLVKDONJSA-N 0 0 340.391 0.892 10 0 ECAERN CC(C)n1nnnc1CS(=O)(=O)CC(=O)NCC1CCCCC1 ZINC000195429184 165081170 /nfs/dbraw/zinc/08/11/70/165081170.db2.gz TWYCDSYKQCQORN-UHFFFAOYSA-N 0 0 343.453 0.865 10 0 ECAERN CC(C)n1nnnc1CS(=O)(=O)[C@@H](C)C(=O)NC1CCCC1 ZINC000195427739 165081888 /nfs/dbraw/zinc/08/18/88/165081888.db2.gz CFATUSWBFIRHII-JTQLQIEISA-N 0 0 329.426 0.616 10 0 ECAERN CCOCCCNC(=O)[C@H](C)S(=O)(=O)Cc1nccn1CC ZINC000195519724 165084511 /nfs/dbraw/zinc/08/45/11/165084511.db2.gz DGQNMMBTBOQCNE-LBPRGKRZSA-N 0 0 331.438 0.749 10 0 ECAERN CN1CCO[C@H](CN[C@@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000245680026 165114097 /nfs/dbraw/zinc/11/40/97/165114097.db2.gz MHPQPIHCKZBMOF-CHWSQXEVSA-N 0 0 342.237 0.896 10 0 ECAERN CCN(C(=O)[C@H](C)N1CCS[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000245825778 165116124 /nfs/dbraw/zinc/11/61/24/165116124.db2.gz OVSHAQLKWDRUOS-RWMBFGLXSA-N 0 0 334.507 0.848 10 0 ECAERN COCCOC[C@@H]1CCN(c2cc(N3CCC[C@H]3CO)ncn2)C1 ZINC000246143581 165125035 /nfs/dbraw/zinc/12/50/35/165125035.db2.gz FDICOXYZADRIAA-CABCVRRESA-N 0 0 336.436 0.927 10 0 ECAERN CN1CCO[C@H](CNC(=O)N[C@H]2CC(=O)N(c3ccccc3)C2)C1 ZINC000246479485 165134696 /nfs/dbraw/zinc/13/46/96/165134696.db2.gz RLACKCSKGKWCMX-DZGCQCFKSA-N 0 0 332.404 0.422 10 0 ECAERN C[C@@H]1CN(S(=O)(=O)c2ncn(C)c2Cl)C[C@H]1N1CCOCC1 ZINC000246471246 165134746 /nfs/dbraw/zinc/13/47/46/165134746.db2.gz KKUMCUSGDVBQBY-GHMZBOCLSA-N 0 0 348.856 0.415 10 0 ECAERN C[C@@H]1COC[C@H](C)N1C(=O)C1=NN(c2ccccc2)C(=O)[C@@H](C)N1 ZINC000247022292 165149338 /nfs/dbraw/zinc/14/93/38/165149338.db2.gz OQHNBRYWZRQFRV-FRRDWIJNSA-N 0 0 330.388 0.961 10 0 ECAERN CCN(C(=O)[C@H](C)N1C[C@H](C)O[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000247008918 165150628 /nfs/dbraw/zinc/15/06/28/165150628.db2.gz RTABOEGAEYOXSN-XDQVBPFNSA-N 0 0 332.466 0.520 10 0 ECAERN Cc1ccc(N2CCCN(CC(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)nn1 ZINC000247113317 165152917 /nfs/dbraw/zinc/15/29/17/165152917.db2.gz JBWAOAMMEDIVGZ-HOTGVXAUSA-N 0 0 347.463 0.933 10 0 ECAERN CCOCCN1CCN([C@H](C)C(=O)NC(=O)NC2CC2)C[C@@H]1C ZINC000247209678 165155337 /nfs/dbraw/zinc/15/53/37/165155337.db2.gz PPIHSXGBZSEQSK-QWHCGFSZSA-N 0 0 326.441 0.406 10 0 ECAERN Cc1cc2ncn(C[C@H](O)CN3CCOC[C@H]3C(N)=O)c2cc1C ZINC000247254082 165158524 /nfs/dbraw/zinc/15/85/24/165158524.db2.gz XIQSAQMRFOZGEU-CJNGLKHVSA-N 0 0 332.404 0.200 10 0 ECAERN NCc1nc(CN2CCN(c3ncnc4ccsc43)CC2)no1 ZINC000262148148 165300695 /nfs/dbraw/zinc/30/06/95/165300695.db2.gz FRMSATFIKUNAFN-UHFFFAOYSA-N 0 0 331.405 0.855 10 0 ECAERN CCC[C@@H]([NH2+]CC(=O)Nc1ccc(S(C)(=O)=O)cc1)C(=O)[O-] ZINC000262300955 165325760 /nfs/dbraw/zinc/32/57/60/165325760.db2.gz QEMXLIYHLSSKOM-GFCCVEGCSA-N 0 0 328.390 0.872 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)CCn2c(C)csc2=O)C1 ZINC000262684803 165374012 /nfs/dbraw/zinc/37/40/12/165374012.db2.gz BXGQANDFFZJFSX-UHFFFAOYSA-N 0 0 341.433 0.662 10 0 ECAERN C[N@@H+](CC(=O)[O-])C[C@@H]1CN(C(=O)CCn2cc(Cl)cn2)CCO1 ZINC000262870282 165396413 /nfs/dbraw/zinc/39/64/13/165396413.db2.gz CRTPQSNOHHJEDC-GFCCVEGCSA-N 0 0 344.799 0.170 10 0 ECAERN Cc1nn(C)c(C)c1CN1CCN(c2ccncc2C(N)=O)CC1 ZINC000302233315 296897072 /nfs/dbraw/zinc/89/70/72/296897072.db2.gz SXLNNBKMZZZSMR-UHFFFAOYSA-N 0 0 328.420 0.853 10 0 ECAERN CC(C)(C)OC[C@@H](O)CN1CCN(C[C@H](O)COC(C)(C)C)CC1 ZINC000121609274 221888310 /nfs/dbraw/zinc/88/83/10/221888310.db2.gz JJYDYXKBLYAOCM-HOTGVXAUSA-N 0 0 346.512 0.956 10 0 ECAERN CC[C@H](C(=O)N1CCN(CCOC)[C@@H](CC)C1)N1CCCC1=O ZINC000173665320 263148542 /nfs/dbraw/zinc/14/85/42/263148542.db2.gz WZQBGJMMZRUTBU-LSDHHAIUSA-N 0 0 325.453 0.957 10 0 ECAERN Cc1c(NC(=O)C(=O)N2CCC(c3ccnn3C)CC2)cnn1C ZINC000176637702 263153261 /nfs/dbraw/zinc/15/32/61/263153261.db2.gz NAVUEVIYYKEVBX-UHFFFAOYSA-N 0 0 330.392 0.807 10 0 ECAERN CNC(=O)[C@H](NC(=O)CNC(=O)c1ccc(F)cc1F)C(C)C ZINC000179125178 263155493 /nfs/dbraw/zinc/15/54/93/263155493.db2.gz ZJWJQLXHFDIMHK-CYBMUJFWSA-N 0 0 327.331 0.581 10 0 ECAERN C[NH+](C)C[C@@H]1CN(C(=O)C(=O)Nc2cccnc2Cl)CCO1 ZINC000179845392 263156357 /nfs/dbraw/zinc/15/63/57/263156357.db2.gz JNEJDOHQOAMIJT-SNVBAGLBSA-N 0 0 326.784 0.463 10 0 ECAERN Cc1ccccc1C[C@H](CO)NC(=O)N[C@H]1CCc2ncnn2C1 ZINC000190163230 263164288 /nfs/dbraw/zinc/16/42/88/263164288.db2.gz WIZJZHJAVLDGIF-LSDHHAIUSA-N 0 0 329.404 0.804 10 0 ECAERN CN1CCN(C(=O)Cc2ccc(NC(=O)[C@@H]3CNC(=O)C3)cc2)CC1 ZINC000194819398 263169311 /nfs/dbraw/zinc/16/93/11/263169311.db2.gz RCIJEESUOQDINT-AWEZNQCLSA-N 0 0 344.415 0.078 10 0 ECAERN CO[C@H]1C[C@@H](C(N)=O)N(C(=O)c2ccc(N3CCC(C)=N3)cc2)C1 ZINC000284982166 264265863 /nfs/dbraw/zinc/26/58/63/264265863.db2.gz XPUCVOLUJAGXFZ-GJZGRUSLSA-N 0 0 330.388 0.987 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)c2c(OC)ncnc2OC)C1 ZINC000262730275 276315185 /nfs/dbraw/zinc/31/51/85/276315185.db2.gz UIWARRKBOWPTJY-UHFFFAOYSA-N 0 0 338.364 0.161 10 0 ECAERN CN1CCN(CC(=O)N2CCC[C@H](C(N)=O)C2)[C@H](c2ccccc2)C1 ZINC000181689445 277104146 /nfs/dbraw/zinc/10/41/46/277104146.db2.gz GIBMFFSGEYVKOJ-IRXDYDNUSA-N 0 0 344.459 0.699 10 0 ECAERN O=C(CNC(=O)c1ccc(F)cc1F)N1CC(NC(=O)C2CC2)C1 ZINC000189419482 437599561 /nfs/dbraw/zinc/59/95/61/437599561.db2.gz SHHABEXSCRTLGC-UHFFFAOYSA-N 0 0 337.326 0.432 10 0 ECAERN COCCOc1cccc(CC(=O)N2CC(NC(=O)C3CC3)C2)c1 ZINC000189490396 437600649 /nfs/dbraw/zinc/60/06/49/437600649.db2.gz SSLCJEVKICUKAL-UHFFFAOYSA-N 0 0 332.400 0.991 10 0 ECAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)N[C@H](C)CS(C)(=O)=O)CC2 ZINC000172590802 280674452 /nfs/dbraw/zinc/67/44/52/280674452.db2.gz FJTPJIYJEQKGGU-MNOVXSKESA-N 0 0 343.453 0.449 10 0 ECAERN Cc1ccc2c(c1)c(=O)n(C)c1nnc(CSC[C@H](O)CO)n12 ZINC000177408866 281130478 /nfs/dbraw/zinc/13/04/78/281130478.db2.gz BGKJXSIJDRZWKL-SNVBAGLBSA-N 0 0 334.401 0.476 10 0 ECAERN COC[C@@H](C)n1ccc(NC(=O)NC[C@@H](C)N2CCOCC2)n1 ZINC000189828438 437611096 /nfs/dbraw/zinc/61/10/96/437611096.db2.gz BLTLDTACIFELMM-CHWSQXEVSA-N 0 0 325.413 0.933 10 0 ECAERN CN1C(=O)C[C@H](C(=O)N2CC[C@@H](C(N)=O)C2)[C@@H]1c1ccc(F)cc1 ZINC000245647634 289832705 /nfs/dbraw/zinc/83/27/05/289832705.db2.gz LXEXZABQQRZFLT-ZLDLUXBVSA-N 0 0 333.363 0.679 10 0 ECAERN NC(=O)[C@@H]1COCCN1C(=O)Cc1cccc(Br)c1 ZINC000091781946 295119065 /nfs/dbraw/zinc/11/90/65/295119065.db2.gz FZQNMEYTUCVABF-NSHDSACASA-N 0 0 327.178 0.704 10 0 ECAERN NC(=O)[C@H]1COCCN1C(=O)c1ccc(Br)cc1F ZINC000091783307 295158971 /nfs/dbraw/zinc/15/89/71/295158971.db2.gz YYVDDOOAIKCHPU-SNVBAGLBSA-N 0 0 331.141 0.915 10 0 ECAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)NCC1CC[NH+](CCO)CC1 ZINC000333231841 297119928 /nfs/dbraw/zinc/11/99/28/297119928.db2.gz GTACVHJEIHPLGV-AWEZNQCLSA-N 0 0 336.440 0.425 10 0 ECAERN O=C([C@@H]1CCN1Cc1ccccc1)N1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000333364295 297128134 /nfs/dbraw/zinc/12/81/34/297128134.db2.gz YELUAYZONGAZIK-KSSFIOAISA-N 0 0 342.399 0.462 10 0 ECAERN O=C1NCCCN1C1CCN(S(=O)(=O)c2ccc(O)cc2)CC1 ZINC000333512352 297138955 /nfs/dbraw/zinc/13/89/55/297138955.db2.gz UPFGYOJECKDQKB-UHFFFAOYSA-N 0 0 339.417 0.961 10 0 ECAERN CC[C@@H]1CN(C(=O)N[C@@H]2CCC(=O)N[C@H]2[C@@H]2CCCO2)CCO1 ZINC000368205862 300654810 /nfs/dbraw/zinc/65/48/10/300654810.db2.gz RCENVBKRSSRYJS-GUIRCDHDSA-N 0 0 325.409 0.633 10 0 ECAERN CN(C)S(=O)(=O)[C@H]1CCCN(Cc2nnc(C3CC3)n2C)C1 ZINC000368510650 300670084 /nfs/dbraw/zinc/67/00/84/300670084.db2.gz FYDZXVQEBDKHHI-LBPRGKRZSA-N 0 0 327.454 0.548 10 0 ECAERN COc1ccc(C(=O)Cn2cnc3c2c(=O)[nH]c(=O)n3C)cc1OC ZINC000004576472 435981701 /nfs/dbraw/zinc/98/17/01/435981701.db2.gz QHRNQGVFQZRDKO-UHFFFAOYSA-N 0 0 344.327 0.323 10 0 ECAERN NC(=O)CSc1nc2ccccc2n1CC(=O)N1CCOCC1 ZINC000004859233 435984190 /nfs/dbraw/zinc/98/41/90/435984190.db2.gz OXDVZQVTCQGRIB-UHFFFAOYSA-N 0 0 334.401 0.473 10 0 ECAERN C[C@H](Oc1ccc2c(c1)OCO2)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000015332050 436079529 /nfs/dbraw/zinc/07/95/29/436079529.db2.gz OALASPPSBQGVAO-VHSXEESVSA-N 0 0 327.358 0.486 10 0 ECAERN Cc1nnc2n1CCN(S(=O)(=O)c1ccc3c(c1)oc(=O)n3C)C2 ZINC000074816014 436141831 /nfs/dbraw/zinc/14/18/31/436141831.db2.gz VUGWJIJPXKYVOW-UHFFFAOYSA-N 0 0 349.372 0.236 10 0 ECAERN CCOC(=O)C(CCCCOC(C)=O)(NC(C)=O)C(=O)OCC ZINC000021982718 436116727 /nfs/dbraw/zinc/11/67/27/436116727.db2.gz XBYDASXRJJPJAT-UHFFFAOYSA-N 0 0 331.365 0.721 10 0 ECAERN CCc1noc([C@@]2(O)CCN(C(=O)c3ccc(N(C)C)nc3)C2)n1 ZINC000375732355 301203381 /nfs/dbraw/zinc/20/33/81/301203381.db2.gz QKYUZLBCBYFCPF-MRXNPFEDSA-N 0 0 331.376 0.827 10 0 ECAERN CC(C)(C)C(=O)N1CCC[C@@H](C(=O)N2CCC[C@](O)(C(N)=O)C2)C1 ZINC000375776435 301208263 /nfs/dbraw/zinc/20/82/63/301208263.db2.gz QVYCWSKXHDUWQX-SJKOYZFVSA-N 0 0 339.436 0.110 10 0 ECAERN NC(=O)[C@]1(O)CCCN(C(=O)[C@H]2CCCN(CC(F)(F)F)C2)C1 ZINC000375783350 301208458 /nfs/dbraw/zinc/20/84/58/301208458.db2.gz RGADPVZBXWLODP-GWCFXTLKSA-N 0 0 337.342 0.100 10 0 ECAERN C[C@H]1CCCCN1S(=O)(=O)N1CCO[C@@H](c2cnn(C)c2)C1 ZINC000378029372 301403462 /nfs/dbraw/zinc/40/34/62/301403462.db2.gz FWQFLIBJLIIOME-GXTWGEPZSA-N 0 0 328.438 0.913 10 0 ECAERN O=C(Nc1ccc(-n2ccnc2)nc1)C(=O)N[C@H]1CCCC[C@H]1CO ZINC000078992715 436286054 /nfs/dbraw/zinc/28/60/54/436286054.db2.gz WFVAHSNYDOEYLF-JSGCOSHPSA-N 0 0 343.387 0.873 10 0 ECAERN CC(=O)N[C@H]1CCCN(C(=O)NCCNC(=O)c2ccccc2)C1 ZINC000079130288 436292881 /nfs/dbraw/zinc/29/28/81/436292881.db2.gz XHQUSLAEXDNFCP-HNNXBMFYSA-N 0 0 332.404 0.727 10 0 ECAERN C[C@@H](NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1)[C@H]1CCCO1 ZINC000035216575 436254727 /nfs/dbraw/zinc/25/47/27/436254727.db2.gz YZBKAIRNYXPIBY-BXKDBHETSA-N 0 0 334.419 0.180 10 0 ECAERN O=C(c1cccc(Br)c1)N1CC[C@]2(C1)NC(=O)NC2=O ZINC000083856340 436376788 /nfs/dbraw/zinc/37/67/88/436376788.db2.gz AQCRLZHIRNFMGX-CYBMUJFWSA-N 0 0 338.161 0.873 10 0 ECAERN C[C@H]1C[C@@H]1NC(=O)C(=O)Nc1cc(Br)c(=O)n(C)c1 ZINC000091219167 436445335 /nfs/dbraw/zinc/44/53/35/436445335.db2.gz FFAZNNBECIDBTA-RCOVLWMOSA-N 0 0 328.166 0.611 10 0 ECAERN NC(=O)[C@@H]1COCCN1C(=O)Cc1csc(-c2cccnc2)n1 ZINC000091785599 436460691 /nfs/dbraw/zinc/46/06/91/436460691.db2.gz BCWXPDMERYLWDS-LBPRGKRZSA-N 0 0 332.385 0.460 10 0 ECAERN NC(=O)[C@H]1COCCN1Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000092230133 436468653 /nfs/dbraw/zinc/46/86/53/436468653.db2.gz JEDVKCLYXAAQQZ-MRXNPFEDSA-N 0 0 343.383 0.896 10 0 ECAERN NC(=O)[C@H]1COCCN1C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000092231250 436469014 /nfs/dbraw/zinc/46/90/14/436469014.db2.gz DMCKKOSOPHDBEK-CMPLNLGQSA-N 0 0 349.214 0.919 10 0 ECAERN NC(=O)[C@H]1COCCN1C[C@H](O)COc1c(Cl)cccc1Cl ZINC000092421723 436469884 /nfs/dbraw/zinc/46/98/84/436469884.db2.gz IXOLBNOPWNOQCQ-JOYOIKCWSA-N 0 0 349.214 0.919 10 0 ECAERN Cn1ccc2ccc(NC(=O)NC[C@H](O)CN3CCOCC3)cc21 ZINC000092765513 436474999 /nfs/dbraw/zinc/47/49/99/436474999.db2.gz YEXISMXWPAROJB-HNNXBMFYSA-N 0 0 332.404 0.993 10 0 ECAERN CS(=O)(=O)NCCNC(=O)[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000054654411 436557089 /nfs/dbraw/zinc/55/70/89/436557089.db2.gz VBUVWWGIURQGRE-KGLIPLIRSA-N 0 0 326.418 0.820 10 0 ECAERN CC(C)OCCNC(=O)C[C@H]1C(=O)NCCN1Cc1ccccn1 ZINC000055053317 436565315 /nfs/dbraw/zinc/56/53/15/436565315.db2.gz HMZSWUQJXRYOLY-HNNXBMFYSA-N 0 0 334.420 0.313 10 0 ECAERN CCCC[C@H](C(=O)OC)N1CCN(c2ccc3nncn3n2)CC1 ZINC000105911245 436587486 /nfs/dbraw/zinc/58/74/86/436587486.db2.gz SWPGQBWMDCVQPY-CYBMUJFWSA-N 0 0 332.408 0.978 10 0 ECAERN Cc1nn(C)c(C)c1CN1CCN(C[C@H](O)CN2CCCC2=O)CC1 ZINC000111690491 436631598 /nfs/dbraw/zinc/63/15/98/436631598.db2.gz TXUDFONFWSSTEU-INIZCTEOSA-N 0 0 349.479 0.138 10 0 ECAERN Cc1ccc(C(=O)N[C@H]2CCc3ncnn3C2)cc1S(C)(=O)=O ZINC000112650968 436633178 /nfs/dbraw/zinc/63/31/78/436633178.db2.gz JEBWMILGCCWGER-LBPRGKRZSA-N 0 0 334.401 0.735 10 0 ECAERN O=C(CN1C(=O)c2ccccc2C1=O)N[C@@H]1CCc2ncnn2C1 ZINC000112647860 436633378 /nfs/dbraw/zinc/63/33/78/436633378.db2.gz NQBBLFLWHPMROU-SNVBAGLBSA-N 0 0 325.328 0.005 10 0 ECAERN C[C@]1(C(=O)N[C@@H]2CCc3ncnn3C2)Cc2ccccc2C(=O)O1 ZINC000112655447 436633735 /nfs/dbraw/zinc/63/37/35/436633735.db2.gz AWLPJBAMBPIPOQ-SJKOYZFVSA-N 0 0 326.356 0.881 10 0 ECAERN O=C(CN1C(=O)CSc2ccccc21)N[C@@H]1CCc2ncnn2C1 ZINC000112651739 436633795 /nfs/dbraw/zinc/63/37/95/436633795.db2.gz JVTBCSJRSZNOQA-LLVKDONJSA-N 0 0 343.412 0.848 10 0 ECAERN CCS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCc3ncnn3C2)cc1 ZINC000112654707 436633875 /nfs/dbraw/zinc/63/38/75/436633875.db2.gz BIUPARMRHSOZFR-GFCCVEGCSA-N 0 0 334.401 0.817 10 0 ECAERN C[C@@H](CNC(=O)NCC1(C(=O)N(C)C)CCCC1)N1CCOCC1 ZINC000113374591 436637218 /nfs/dbraw/zinc/63/72/18/436637218.db2.gz YRRAWWUOJBYRPG-AWEZNQCLSA-N 0 0 340.468 0.655 10 0 ECAERN Cc1nc2ccc(NC(=O)C(=O)NC[C@@H](C)N3CCOCC3)cc2o1 ZINC000062110709 436639706 /nfs/dbraw/zinc/63/97/06/436639706.db2.gz QEFHORRWBPHLNI-LLVKDONJSA-N 0 0 346.387 0.912 10 0 ECAERN C[C@@H](O)CCNC(=O)NCC(=O)N1CCN(c2ccccc2)CC1 ZINC000114827542 436644222 /nfs/dbraw/zinc/64/42/22/436644222.db2.gz YHKPNQDRQKREMA-CQSZACIVSA-N 0 0 334.420 0.405 10 0 ECAERN CCS(=O)(=O)N[C@@H]1CCCN(c2cc(N3CCCC3)ncn2)C1 ZINC000065269252 436654012 /nfs/dbraw/zinc/65/40/12/436654012.db2.gz ZJEIDYNEBDORIH-CYBMUJFWSA-N 0 0 339.465 0.985 10 0 ECAERN COC(=O)CCCN1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000116399419 436650016 /nfs/dbraw/zinc/65/00/16/436650016.db2.gz DFQDHUUMFNVPAI-INIZCTEOSA-N 0 0 336.432 0.997 10 0 ECAERN COCCN1CCN(C(=O)Cn2nnc(-c3ccccc3)n2)C[C@@H]1C ZINC000117286009 436655023 /nfs/dbraw/zinc/65/50/23/436655023.db2.gz DZSIPBICVMAIQQ-AWEZNQCLSA-N 0 0 344.419 0.519 10 0 ECAERN Cc1cnn(CCNC(=O)[C@H](C)NS(=O)(=O)c2cccs2)c1 ZINC000117817781 436657331 /nfs/dbraw/zinc/65/73/31/436657331.db2.gz YPCNSHZCLYHJLC-NSHDSACASA-N 0 0 342.446 0.736 10 0 ECAERN COCCCS(=O)(=O)NCC(=O)NC1C2CC3CC(C2)CC1C3 ZINC000120429837 436687234 /nfs/dbraw/zinc/68/72/34/436687234.db2.gz CHBWTIVMBUYWCJ-UHFFFAOYSA-N 0 0 344.477 0.883 10 0 ECAERN C[C@H](NC(=O)C(=O)Nc1ccnn1Cc1ccccn1)[C@H]1CCCO1 ZINC000151241287 436697790 /nfs/dbraw/zinc/69/77/90/436697790.db2.gz JCTCBJZBFKREHN-GXTWGEPZSA-N 0 0 343.387 0.949 10 0 ECAERN Cc1nc2ccc(NC(=O)C(=O)NC[C@@H]3CN(C)CCO3)cc2o1 ZINC000118115208 436661617 /nfs/dbraw/zinc/66/16/17/436661617.db2.gz BPFMVMQPXNGYEY-GFCCVEGCSA-N 0 0 332.360 0.522 10 0 ECAERN Cc1cc(C)nc(NC(=O)C(=O)N2CC(NC(=O)C3CCC3)C2)c1 ZINC000194359998 436664977 /nfs/dbraw/zinc/66/49/77/436664977.db2.gz LBIDFHXZZZNJCZ-UHFFFAOYSA-N 0 0 330.388 0.764 10 0 ECAERN CSCC[C@H](NC(=O)[C@@H](O)[C@H]([NH3+])Cc1ccccc1)C(=O)[O-] ZINC000140748220 436669197 /nfs/dbraw/zinc/66/91/97/436669197.db2.gz YMTSERODVWQWEK-AGIUHOORSA-N 0 0 326.418 0.240 10 0 ECAERN COC(=O)c1nc(-c2ccc(S(=O)(=O)N(C)C)cc2)cnc1N ZINC000143893439 436676285 /nfs/dbraw/zinc/67/62/85/436676285.db2.gz RMMBNWNXQBJCLB-UHFFFAOYSA-N 0 0 336.373 0.763 10 0 ECAERN CN1CC(=O)N2CCN(Cc3nc4cc(F)ccc4[nH]3)C[C@H]2C1=O ZINC000067756723 436722556 /nfs/dbraw/zinc/72/25/56/436722556.db2.gz XHRZJKHEAAMVAN-ZDUSSCGKSA-N 0 0 331.351 0.187 10 0 ECAERN COC(=O)c1coc(S(=O)(=O)N2CC[C@H](c3cnn(C)c3)C2)c1 ZINC000153222847 436750551 /nfs/dbraw/zinc/75/05/51/436750551.db2.gz YXCYISMMPNENDU-JTQLQIEISA-N 0 0 339.373 0.978 10 0 ECAERN CC(=O)N1CC[C@H](NC(=O)c2cccc(CN3CCOCC3)c2)C1 ZINC000156314769 436812523 /nfs/dbraw/zinc/81/25/23/436812523.db2.gz HUAODIHMCHNQBK-KRWDZBQOSA-N 0 0 331.416 0.869 10 0 ECAERN C[C@H](Oc1cccc(F)c1)C(=O)NC[C@@H](O)CN1CCOCC1 ZINC000128981125 436822473 /nfs/dbraw/zinc/82/24/73/436822473.db2.gz PXOWEKHHMLMLLZ-GXTWGEPZSA-N 0 0 326.368 0.402 10 0 ECAERN CCOCCN1CCN(S(=O)(=O)C[C@H]2CCOC2)C[C@H]1CC ZINC000246939471 436786967 /nfs/dbraw/zinc/78/69/67/436786967.db2.gz CDNWTEFCWDWHKJ-LSDHHAIUSA-N 0 0 334.482 0.785 10 0 ECAERN Cc1cc(NC(=O)C(=O)N2CCN(C[C@H](C)O)[C@H](C)C2)ccc1F ZINC000247107890 436789675 /nfs/dbraw/zinc/78/96/75/436789675.db2.gz QVOVQHOJQJDTGX-OLZOCXBDSA-N 0 0 337.395 0.986 10 0 ECAERN CN(Cc1cn(C)nc1C(F)(F)F)C[C@@H](O)CN1CCCC1=O ZINC000155328522 436792870 /nfs/dbraw/zinc/79/28/70/436792870.db2.gz YFZMLQOGOGGDAG-LLVKDONJSA-N 0 0 334.342 0.854 10 0 ECAERN Cn1cc(C(N)=O)cc1C(=O)N[C@H]1CCCN(c2cccnn2)C1 ZINC000155264718 436793102 /nfs/dbraw/zinc/79/31/02/436793102.db2.gz IHLBZUOUXUDFSE-LBPRGKRZSA-N 0 0 328.376 0.313 10 0 ECAERN CCOCCN1CCN(C(=O)[C@H](CC)N2CCCC2=O)C[C@@H]1C ZINC000247451264 436794920 /nfs/dbraw/zinc/79/49/20/436794920.db2.gz OYUINQZMSAJVEM-GJZGRUSLSA-N 0 0 325.453 0.957 10 0 ECAERN Cc1noc([C@H]2COCCN2C(=O)c2cccc(-n3cnnn3)c2)n1 ZINC000155426359 436794984 /nfs/dbraw/zinc/79/49/84/436794984.db2.gz UCZCGFHEFBUACO-CYBMUJFWSA-N 0 0 341.331 0.567 10 0 ECAERN C[C@H]1CN(C[C@@H](O)COCc2ccccc2)CCS(=O)(=O)C1 ZINC000253350238 436840147 /nfs/dbraw/zinc/84/01/47/436840147.db2.gz CEDJPAJOGARLML-GOEBONIOSA-N 0 0 327.446 0.931 10 0 ECAERN O=C(NCCN1CCCS1(=O)=O)N1CCC(c2cc[nH]n2)CC1 ZINC000158154293 436840751 /nfs/dbraw/zinc/84/07/51/436840751.db2.gz ISVFOYSGGKOPES-UHFFFAOYSA-N 0 0 341.437 0.334 10 0 ECAERN Cn1cccc1C(=O)N1C[C@@H](COc2ccncc2)[C@H](C(N)=O)C1 ZINC000253414255 436844645 /nfs/dbraw/zinc/84/46/45/436844645.db2.gz WXJGHZLCKZYFEN-GXTWGEPZSA-N 0 0 328.372 0.673 10 0 ECAERN CC(C)NC(=O)N1CCC[C@H]1C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000131692969 436854964 /nfs/dbraw/zinc/85/49/64/436854964.db2.gz MSKKAFVADCHYTM-GJZGRUSLSA-N 0 0 338.452 0.502 10 0 ECAERN C[C@@H]1CCNC(=O)[C@@H]1NC(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(F)cc1 ZINC000249637758 436825776 /nfs/dbraw/zinc/82/57/76/436825776.db2.gz XBOYBMUJYRNFCJ-SUZRMVIJSA-N 0 0 347.390 0.986 10 0 ECAERN O=C(CCCOc1cccc(F)c1)NC[C@@H](O)CN1CCOCC1 ZINC000129396477 436827101 /nfs/dbraw/zinc/82/71/01/436827101.db2.gz REUANQKWPMFLSX-OAHLLOKOSA-N 0 0 340.395 0.794 10 0 ECAERN Cc1cc(C(=O)NC[C@@H](C)N2CCOCC2)c2c(=O)[nH]n(C)c2n1 ZINC000129834999 436830504 /nfs/dbraw/zinc/83/05/04/436830504.db2.gz IOLWMUMKHKEWDL-LLVKDONJSA-N 0 0 333.392 0.021 10 0 ECAERN CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C[C@H](O)C(C)C ZINC000157973221 436836097 /nfs/dbraw/zinc/83/60/97/436836097.db2.gz JJBRHSBFTQCDGR-AWEZNQCLSA-N 0 0 326.418 0.891 10 0 ECAERN Cc1ccnc2nc(C(=O)N[C@H]3CCc4nc(C(C)C)nn4C3)nn21 ZINC000133711473 436883534 /nfs/dbraw/zinc/88/35/34/436883534.db2.gz GLFRQWDNQGSLQI-NSHDSACASA-N 0 0 340.391 0.892 10 0 ECAERN CCOc1cc(C)nc(N2CCN(Cc3nccc(N)n3)CC2)n1 ZINC000135053102 436908332 /nfs/dbraw/zinc/90/83/32/436908332.db2.gz FEJXQKMYRHFPBO-UHFFFAOYSA-N 0 0 329.408 0.878 10 0 ECAERN COCC(=O)N(C)CC(=O)N1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC000135014805 436908572 /nfs/dbraw/zinc/90/85/72/436908572.db2.gz RVYKIJWBFGOBLH-AWEZNQCLSA-N 0 0 337.424 0.238 10 0 ECAERN C[C@H](NC(=O)NC[C@H]1CN(C)CCO1)C(=O)NCc1ccccc1 ZINC000170924151 436961823 /nfs/dbraw/zinc/96/18/23/436961823.db2.gz AHFFXKROBQYNGV-ZFWWWQNUSA-N 0 0 334.420 0.321 10 0 ECAERN C[N@@H+](CC(=O)[O-])C[C@H]1CN(S(=O)(=O)CC2CCCCC2)CCO1 ZINC000263459011 436966504 /nfs/dbraw/zinc/96/65/04/436966504.db2.gz CXNKLEQCERAGGY-AWEZNQCLSA-N 0 0 348.465 0.614 10 0 ECAERN COc1c(C)cc(S(=O)(=O)NC[C@H]2CN(C)CCO2)cc1C ZINC000171094766 436967396 /nfs/dbraw/zinc/96/73/96/436967396.db2.gz VLFRLHPAIKCMBP-ZDUSSCGKSA-N 0 0 328.434 0.921 10 0 ECAERN O=C(c1n[nH]c2ccccc21)N1CCN(c2ccc3nncn3n2)CC1 ZINC000136390738 436931882 /nfs/dbraw/zinc/93/18/82/436931882.db2.gz ACOBFCHCIJENKM-UHFFFAOYSA-N 0 0 348.370 0.963 10 0 ECAERN CS(=O)(=O)c1cc(C(=O)N2CCO[C@@H](CO)C2)ccc1Cl ZINC000167457669 436939723 /nfs/dbraw/zinc/93/97/23/436939723.db2.gz QELCRXYBXXKOJD-SNVBAGLBSA-N 0 0 333.793 0.577 10 0 ECAERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1ccc2ncccc2c1 ZINC000166809777 436940158 /nfs/dbraw/zinc/94/01/58/436940158.db2.gz BSMBDWPRZQMXEY-AWEZNQCLSA-N 0 0 326.356 0.910 10 0 ECAERN CC[C@H](C)NC(=O)CCNC(=O)NC1CC([N@H+](CC)CC(=O)[O-])C1 ZINC000262915461 436944877 /nfs/dbraw/zinc/94/48/77/436944877.db2.gz FAMCQUNZIHPWQP-HIFPTAJRSA-N 0 0 342.440 0.528 10 0 ECAERN O=C(NC[C@]1(N2CCOCC2)CCSC1)[C@H]1CC(F)(F)CN1 ZINC000263075230 436950861 /nfs/dbraw/zinc/95/08/61/436950861.db2.gz XBBJODUFGNCVLX-DGCLKSJQSA-N 0 0 335.420 0.308 10 0 ECAERN C[N@@H+](CC(=O)[O-])C[C@@H]1CN(C(=O)NCC2CCCCC2)CCO1 ZINC000263126858 436952627 /nfs/dbraw/zinc/95/26/27/436952627.db2.gz YMOHPMQYYVPIMX-CQSZACIVSA-N 0 0 327.425 0.994 10 0 ECAERN C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)[C@@H]1CC(F)(F)CN1 ZINC000263174554 436953905 /nfs/dbraw/zinc/95/39/05/436953905.db2.gz GCNSCEWJBKLVRP-MFKMUULPSA-N 0 0 336.342 0.898 10 0 ECAERN O=C(CNC(=O)c1ccccn1)N[C@@H]1CCCN(c2cccnn2)C1 ZINC000172552562 437018697 /nfs/dbraw/zinc/01/86/97/437018697.db2.gz OGULRJIBXSBCSK-CYBMUJFWSA-N 0 0 340.387 0.387 10 0 ECAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)N[C@H](C)CS(C)(=O)=O)CC2 ZINC000172590798 437021305 /nfs/dbraw/zinc/02/13/05/437021305.db2.gz FJTPJIYJEQKGGU-GHMZBOCLSA-N 0 0 343.453 0.449 10 0 ECAERN COc1ccccc1[C@@H](O)CNC(=O)N[C@H]1CCc2ncnn2C1 ZINC000172602297 437022548 /nfs/dbraw/zinc/02/25/48/437022548.db2.gz JXGNTCBSCKVDIY-AAEUAGOBSA-N 0 0 331.376 0.634 10 0 ECAERN O=C(c1cc(-n2cccn2)ccn1)N1CC[C@H](N2CCOCC2)C1 ZINC000172749011 437026665 /nfs/dbraw/zinc/02/66/65/437026665.db2.gz OSJQBUFDQULUBE-HNNXBMFYSA-N 0 0 327.388 0.814 10 0 ECAERN Cc1cc(C(=O)N2CC[C@H](N(C)Cc3ncccn3)C2)[nH]c(=O)n1 ZINC000275956069 437034372 /nfs/dbraw/zinc/03/43/72/437034372.db2.gz MNOKFELUOUWWJI-LBPRGKRZSA-N 0 0 328.376 0.627 10 0 ECAERN O=C(CCn1ccnn1)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000171810177 436989802 /nfs/dbraw/zinc/98/98/02/436989802.db2.gz CODFQVBCGWWSOJ-MRXNPFEDSA-N 0 0 329.404 0.546 10 0 ECAERN Cn1cc([C@H]2CCN(C(=O)[C@H]3CCCN3S(C)(=O)=O)C2)cn1 ZINC000172262290 437004549 /nfs/dbraw/zinc/00/45/49/437004549.db2.gz IXAXSFVRKDCFHB-WCQYABFASA-N 0 0 326.422 0.160 10 0 ECAERN CC(C)c1nnnn1CC(=O)N[C@H]1CCc2nnc(C(C)C)n2C1 ZINC000173362740 437046289 /nfs/dbraw/zinc/04/62/89/437046289.db2.gz OYVJULSUWUEJHV-NSHDSACASA-N 0 0 332.412 0.643 10 0 ECAERN Cc1nc(C[C@H]2CCCN(C(=O)Cn3nnnc3C(C)C)C2)no1 ZINC000173383404 437047631 /nfs/dbraw/zinc/04/76/31/437047631.db2.gz FWWXHFBPLUMURH-GFCCVEGCSA-N 0 0 333.396 0.969 10 0 ECAERN CNc1cc(N2CCC[C@@H]2CNC(=O)N(CCO)C2CC2)ncn1 ZINC000173429107 437051150 /nfs/dbraw/zinc/05/11/50/437051150.db2.gz WLKBSLCDNYBKBN-CYBMUJFWSA-N 0 0 334.424 0.653 10 0 ECAERN O=C(NCc1nnc2n1CCCCC2)N1CC[C@H](N2CCOCC2)C1 ZINC000173771165 437064108 /nfs/dbraw/zinc/06/41/08/437064108.db2.gz JVXMFNZMKWCOBK-AWEZNQCLSA-N 0 0 348.451 0.621 10 0 ECAERN CO[C@@H]1C[C@@H](CO)N(C(=O)CCn2cnc3ccccc3c2=O)C1 ZINC000284720661 437065001 /nfs/dbraw/zinc/06/50/01/437065001.db2.gz CKVFVHOPIGPNRJ-QWHCGFSZSA-N 0 0 331.372 0.395 10 0 ECAERN C[C@H]1CN(C(=O)CCNC(=O)C(C)(C)C)C[C@@H]1N1CCOCC1 ZINC000173885015 437065260 /nfs/dbraw/zinc/06/52/60/437065260.db2.gz DUVXPJMDHWDSIS-KBPBESRZSA-N 0 0 325.453 0.718 10 0 ECAERN CC(C)CCC(=O)NCC(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000173879679 437065808 /nfs/dbraw/zinc/06/58/08/437065808.db2.gz GLOYLLTZEJTIFO-GJZGRUSLSA-N 0 0 325.453 0.718 10 0 ECAERN Cc1ccc(C(=O)NCC(=O)N2CC[C@@H](N3CCOCC3)C2)cc1C ZINC000173921299 437067527 /nfs/dbraw/zinc/06/75/27/437067527.db2.gz KAUSCIIYLKAJRY-QGZVFWFLSA-N 0 0 345.443 0.966 10 0 ECAERN CCCCS(=O)(=O)N[C@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000174040610 437072855 /nfs/dbraw/zinc/07/28/55/437072855.db2.gz VQFSXRCXQGIJBP-LBPRGKRZSA-N 0 0 328.438 0.943 10 0 ECAERN CC1(C)COCCN1CCNC(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000174692266 437085573 /nfs/dbraw/zinc/08/55/73/437085573.db2.gz UQEHEJXIHIJZKL-CQSZACIVSA-N 0 0 336.440 0.735 10 0 ECAERN CNC(=O)Cn1ccc2ccc(NC(=O)C(=O)N[C@H]3C[C@@H]3C)cc21 ZINC000174830862 437087442 /nfs/dbraw/zinc/08/74/42/437087442.db2.gz GQABYCKGZZKUEO-GWCFXTLKSA-N 0 0 328.372 0.850 10 0 ECAERN NC(=O)[C@@H]1COCCN1C(=O)c1ccc(F)cc1Br ZINC000126752403 303307735 /nfs/dbraw/zinc/30/77/35/303307735.db2.gz LAKAAYFJSFTUDH-JTQLQIEISA-N 0 0 331.141 0.915 10 0 ECAERN CN1CCO[C@H](CNC(=O)NCc2ccc([S@](C)=O)cc2)C1 ZINC000175506338 437108172 /nfs/dbraw/zinc/10/81/72/437108172.db2.gz VHNKDJDTIZXCPW-DMZKTXOQSA-N 0 0 325.434 0.554 10 0 ECAERN CCS(=O)(=O)N1CC(CNc2ccc(C(=O)N(C)C)cn2)C1 ZINC000302536202 437145225 /nfs/dbraw/zinc/14/52/25/437145225.db2.gz GMPMKGYMIPUSRZ-UHFFFAOYSA-N 0 0 326.422 0.477 10 0 ECAERN Cc1cncc(N2CCN(c3ccccc3S(N)(=O)=O)CC2)n1 ZINC000302705855 437149287 /nfs/dbraw/zinc/14/92/87/437149287.db2.gz YKNMSXJAVPZWKQ-UHFFFAOYSA-N 0 0 333.417 0.759 10 0 ECAERN Cc1nn(C)c(C)c1S(=O)(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000176998233 437163709 /nfs/dbraw/zinc/16/37/09/437163709.db2.gz ZWXAUIJXLAYMLU-BXUZGUMPSA-N 0 0 342.465 0.378 10 0 ECAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)NCCN1CCOCC1(C)C ZINC000175755650 437115014 /nfs/dbraw/zinc/11/50/14/437115014.db2.gz IFMWGYAFDDQWKH-CYBMUJFWSA-N 0 0 336.440 0.831 10 0 ECAERN CN(C)[C@H](CNC1=NS(=O)(=O)c2ccccc21)c1cnn(C)c1 ZINC000301305428 437117802 /nfs/dbraw/zinc/11/78/02/437117802.db2.gz YAOCYUOIZNIPGP-CYBMUJFWSA-N 0 0 333.417 0.762 10 0 ECAERN CN(C[C@H](c1cccs1)N1CCOCC1)C(=O)C(=O)NC1CC1 ZINC000177966405 437203770 /nfs/dbraw/zinc/20/37/70/437203770.db2.gz DLPLKNIKDCJNDJ-CYBMUJFWSA-N 0 0 337.445 0.858 10 0 ECAERN CO[C@@H]1C[C@@H](CO)N(c2ncc(I)cn2)C1 ZINC000309735908 437171156 /nfs/dbraw/zinc/17/11/56/437171156.db2.gz GNCMMVTVCHKCLQ-DTWKUNHWSA-N 0 0 335.145 0.667 10 0 ECAERN CNC(=O)[C@H](NC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)C(C)C ZINC000178728856 437227238 /nfs/dbraw/zinc/22/72/38/437227238.db2.gz PUKWOAARSGJUKP-GOEBONIOSA-N 0 0 331.416 0.922 10 0 ECAERN CCn1c(=O)[nH]c2cc(C(=O)N[C@@H](C(=O)NC)C(C)C)ccc2c1=O ZINC000178838510 437233028 /nfs/dbraw/zinc/23/30/28/437233028.db2.gz LQQLEIDOSPJWSZ-CYBMUJFWSA-N 0 0 346.387 0.210 10 0 ECAERN CNC(=O)[C@H](NC(=O)[C@@H](Cc1ccccc1)n1nnnc1C)C(C)C ZINC000178863359 437236026 /nfs/dbraw/zinc/23/60/26/437236026.db2.gz RGOMHXXBAHIGTG-HUUCEWRRSA-N 0 0 344.419 0.652 10 0 ECAERN Cc1noc([C@]2(O)CCN(S(=O)(=O)C3Cc4ccccc4C3)C2)n1 ZINC000328612288 437240411 /nfs/dbraw/zinc/24/04/11/437240411.db2.gz OGXCXPUCEFTNBY-INIZCTEOSA-N 0 0 349.412 0.769 10 0 ECAERN CN1C(=O)CC[C@H](C(=O)NC[C@]2(O)CCOC2)[C@@H]1c1ccccc1 ZINC000178950181 437241483 /nfs/dbraw/zinc/24/14/83/437241483.db2.gz XDVISEDRYQVTSL-QILLFSRXSA-N 0 0 332.400 0.864 10 0 ECAERN Cn1cnnc1[C@@H]1CN(C[C@@H](O)COc2ccc(F)cc2)CCO1 ZINC000328631581 437244219 /nfs/dbraw/zinc/24/42/19/437244219.db2.gz KRVALEHFJVCETG-HIFRSBDPSA-N 0 0 336.367 0.767 10 0 ECAERN Cc1nnc2n1CCN(C1CN(C(=O)Cc3cccc(F)c3)C1)C2 ZINC000328634303 437244520 /nfs/dbraw/zinc/24/45/20/437244520.db2.gz MNUNUEYIDFHNED-UHFFFAOYSA-N 0 0 329.379 0.995 10 0 ECAERN Nc1ccnc(CN2CCC[C@@H]2c2nc(C(=O)NC3CC3)no2)n1 ZINC000328637708 437244848 /nfs/dbraw/zinc/24/48/48/437244848.db2.gz ORXMWFRMCNZJKN-SNVBAGLBSA-N 0 0 329.364 0.671 10 0 ECAERN Cc1ccc(S(=O)(=O)CCCN2CCOC[C@@H]2C(N)=O)cc1 ZINC000181210601 437312621 /nfs/dbraw/zinc/31/26/21/437312621.db2.gz ALUBSJZOMFQHMP-CQSZACIVSA-N 0 0 326.418 0.345 10 0 ECAERN CC[C@H](C(=O)NC[C@H](O)CN1CCOCC1)c1ccc(OC)cc1 ZINC000179757791 437272934 /nfs/dbraw/zinc/27/29/34/437272934.db2.gz HKEPRCOVCMLWGI-RDJZCZTQSA-N 0 0 336.432 0.998 10 0 ECAERN CC(C)COC[C@@H](O)Cn1cnc2c1ncnc2N1CCOCC1 ZINC000179759688 437273089 /nfs/dbraw/zinc/27/30/89/437273089.db2.gz IEYVFMJLRANSGL-ZDUSSCGKSA-N 0 0 335.408 0.696 10 0 ECAERN Cc1nnc([C@@H]2CN(C(=O)C(=O)Nc3cccc(C)c3)CCO2)[nH]1 ZINC000180226282 437282220 /nfs/dbraw/zinc/28/22/20/437282220.db2.gz XOUDLEZBYVHBDX-ZDUSSCGKSA-N 0 0 329.360 0.960 10 0 ECAERN NC(=O)[C@@H]1COCCN1C(=O)Cc1csc(Cc2ccccc2)n1 ZINC000180275053 437284633 /nfs/dbraw/zinc/28/46/33/437284633.db2.gz SVYWIYBFQPYAFL-AWEZNQCLSA-N 0 0 345.424 0.989 10 0 ECAERN C[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)N(C)CC2)N1CCOCC1 ZINC000180406536 437289246 /nfs/dbraw/zinc/28/92/46/437289246.db2.gz VJGJGGMZPGJYAO-CYBMUJFWSA-N 0 0 346.431 0.454 10 0 ECAERN CC(C)c1nnc2n1C[C@H](NC(=O)N1CCNC(=O)[C@@H]1C(C)C)CC2 ZINC000181760319 437330414 /nfs/dbraw/zinc/33/04/14/437330414.db2.gz APAMEFVMOFXPTO-OCCSQVGLSA-N 0 0 348.451 0.882 10 0 ECAERN Cc1noc([C@@H]2COCCN2C(=O)CNC(=O)c2cccc(F)c2)n1 ZINC000182085839 437337680 /nfs/dbraw/zinc/33/76/80/437337680.db2.gz XMWSMRNFKUTZCO-ZDUSSCGKSA-N 0 0 348.334 0.847 10 0 ECAERN C[C@@H](NC(=O)c1ccco1)C(=O)NCCC(=O)NCc1ccccn1 ZINC000184540666 437406527 /nfs/dbraw/zinc/40/65/27/437406527.db2.gz ZELVOXQHMSLVQZ-GFCCVEGCSA-N 0 0 344.371 0.616 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)NC[C@H](c2ccco2)N(C)C)CC1 ZINC000184702988 437409295 /nfs/dbraw/zinc/40/92/95/437409295.db2.gz KJXFBRLHZOEHJN-LSDHHAIUSA-N 0 0 338.452 0.980 10 0 ECAERN Nc1nc(CN2C[C@H](O)C[C@@H]2CO)nc(Nc2ccc(F)cc2)n1 ZINC000184718856 437411887 /nfs/dbraw/zinc/41/18/87/437411887.db2.gz UTBKZFIOKPYKLH-VXGBXAGGSA-N 0 0 334.355 0.264 10 0 ECAERN COCC(=O)NC1CN(C[C@@H](O)COCc2ccc(Cl)cc2)C1 ZINC000185087408 437424696 /nfs/dbraw/zinc/42/46/96/437424696.db2.gz XNUVACZMTJDVHH-OAHLLOKOSA-N 0 0 342.823 0.664 10 0 ECAERN COCC(=O)NC1CN(C[C@@H](O)COc2ccccc2C(C)C)C1 ZINC000185093062 437425277 /nfs/dbraw/zinc/42/52/77/437425277.db2.gz QDBAYAPILJEZMH-OAHLLOKOSA-N 0 0 336.432 0.997 10 0 ECAERN COCC(=O)NC1CN(C(=O)c2cc(-c3c(C)nn(C)c3C)n[nH]2)C1 ZINC000185301453 437435090 /nfs/dbraw/zinc/43/50/90/437435090.db2.gz OJPWSLNYHUXXAW-UHFFFAOYSA-N 0 0 346.391 0.014 10 0 ECAERN CCO[C@H]1C[C@@H](NC(=O)NCCCn2ccnn2)C12CCOCC2 ZINC000185936088 437456422 /nfs/dbraw/zinc/45/64/22/437456422.db2.gz RNFRCFIHGDHZLP-KGLIPLIRSA-N 0 0 337.424 0.942 10 0 ECAERN CCN(C)C(=O)CNC(=O)N(C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000186193556 437463946 /nfs/dbraw/zinc/46/39/46/437463946.db2.gz RVRMFIOMAWAZEK-CYBMUJFWSA-N 0 0 334.424 0.565 10 0 ECAERN CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)N2CC(NC(=O)C3CC3)C2)C1 ZINC000187456408 437505749 /nfs/dbraw/zinc/50/57/49/437505749.db2.gz BLUHOBNTTSZDOP-ZSDPLGQISA-N 0 0 341.477 0.986 10 0 ECAERN Cc1noc(C2CC2)c1NC(=O)C(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188013126 437520406 /nfs/dbraw/zinc/52/04/06/437520406.db2.gz CPLXIGVOWVZYLT-UHFFFAOYSA-N 0 0 346.387 0.926 10 0 ECAERN COc1ccc(-n2nnc(C(=O)N3CCCNC(=O)[C@@H]3C)c2C)cc1 ZINC000188079011 437525830 /nfs/dbraw/zinc/52/58/30/437525830.db2.gz COUAAAHERLMCKQ-LBPRGKRZSA-N 0 0 343.387 0.935 10 0 ECAERN CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCCNC(=O)[C@H]2C)c1 ZINC000188080857 437525990 /nfs/dbraw/zinc/52/59/90/437525990.db2.gz SADRLFWJXZZGIG-SNVBAGLBSA-N 0 0 342.392 0.970 10 0 ECAERN CN(C)c1cccc(CNC(=O)N2CC(NC(=O)C3CCC3)C2)n1 ZINC000188908761 437575277 /nfs/dbraw/zinc/57/52/77/437575277.db2.gz SHQVQGZWGOUEQB-UHFFFAOYSA-N 0 0 331.420 0.958 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)c2cccc(CC(=O)OC)c2)CC1 ZINC000189150966 437585856 /nfs/dbraw/zinc/58/58/56/437585856.db2.gz QGBPPZGLDKJLHL-MRXNPFEDSA-N 0 0 334.416 0.931 10 0 ECAERN CCn1cc([C@H]2CN(C(=O)C(=O)Nc3ccc(F)nc3)CCO2)cn1 ZINC000190551722 437630517 /nfs/dbraw/zinc/63/05/17/437630517.db2.gz MVUSIUQUMVUHJW-CYBMUJFWSA-N 0 0 347.350 0.976 10 0 ECAERN CN(C)C[C@@H]1CN(CCS(=O)(=O)c2ccc(F)cc2)CCO1 ZINC000192577913 437683731 /nfs/dbraw/zinc/68/37/31/437683731.db2.gz QPKWFJZBONOQPD-CQSZACIVSA-N 0 0 330.425 0.862 10 0 ECAERN C[C@@H](NC(=O)C(=O)Nc1ccccc1-n1ccnn1)[C@@H]1CCCO1 ZINC000193620043 437710173 /nfs/dbraw/zinc/71/01/73/437710173.db2.gz FILBQHWGTVUEQV-RISCZKNCSA-N 0 0 329.360 0.890 10 0 ECAERN NC(=O)COc1cccc(CNC(=O)N2C[C@H](F)C[C@H]2CO)c1 ZINC000347452469 437892565 /nfs/dbraw/zinc/89/25/65/437892565.db2.gz BYLFAIIMBJURDL-NEPJUHHUSA-N 0 0 325.340 0.165 10 0 ECAERN CC(=O)N1CCOC[C@@H]1C(=O)NCc1ccccc1N1CCOCC1 ZINC000371239915 437901892 /nfs/dbraw/zinc/90/18/92/437901892.db2.gz AGRWYEFVKPVWFA-QGZVFWFLSA-N 0 0 347.415 0.387 10 0 ECAERN COC[C@H]1CN(C(=O)N[C@@H]2CCCC[C@H]2S(C)(=O)=O)C[C@H](C)O1 ZINC000366523313 438088812 /nfs/dbraw/zinc/08/88/12/438088812.db2.gz TUKUEDWOYWNVIK-REWJHTLYSA-N 0 0 348.465 0.788 10 0 ECAERN COC(=O)c1sccc1S(=O)(=O)N1C[C@H]2OCCN(C)[C@H]2C1 ZINC000368060640 438281953 /nfs/dbraw/zinc/28/19/53/438281953.db2.gz GKOXKGPOXRYXFZ-VHSXEESVSA-N 0 0 346.430 0.238 10 0 ECAERN CCn1nccc1S(=O)(=O)N[C@@H]1CC(=O)N(C)[C@H]1c1cccnc1 ZINC000583616611 439486883 /nfs/dbraw/zinc/48/68/83/439486883.db2.gz RHPVYLGMGKMCSB-DOMZBBRYSA-N 0 0 349.416 0.548 10 0 ECAERN Cn1cncc1[C@@H]1NC(=O)CC[C@H]1NC(=O)c1cccc2nccn21 ZINC000583620937 439488951 /nfs/dbraw/zinc/48/89/51/439488951.db2.gz JVWJSDNYJOOWFG-BDJLRTHQSA-N 0 0 338.371 0.818 10 0 ECAERN CC(C)n1cc([C@@]2(O)CCN(CC(=O)NCc3ccco3)C2)nn1 ZINC000583618428 439489001 /nfs/dbraw/zinc/48/90/01/439489001.db2.gz VMZJCXWVNYIYQD-MRXNPFEDSA-N 0 0 333.392 0.662 10 0 ECAERN CC1(C)C[C@@H](NC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)c2ccccc2O1 ZINC000612400594 439700576 /nfs/dbraw/zinc/70/05/76/439700576.db2.gz OROMZHCTFOSCDU-IXYNUQLISA-N 0 0 333.384 0.818 10 0 ECAERN CCN1C(=O)CC[C@H](C(=O)Nc2nnc(C)n2C)[C@H]1c1nccn1C ZINC000613453782 439757169 /nfs/dbraw/zinc/75/71/69/439757169.db2.gz RWQXLZGZEURVBN-AAEUAGOBSA-N 0 0 345.407 0.795 10 0 ECAERN Cc1ccc(-n2nnnc2N2CCC[C@](O)(CC(=O)N(C)C)C2)cc1 ZINC000643719880 440281675 /nfs/dbraw/zinc/28/16/75/440281675.db2.gz NQFVMBGDNZNCJN-KRWDZBQOSA-N 0 0 344.419 0.780 10 0 ECAERN CN(CC(N)=O)C[C@@H]1CN(Cc2cccc3c2CCOC3)CCO1 ZINC000639626594 440750182 /nfs/dbraw/zinc/75/01/82/440750182.db2.gz UFORDHKGAQKSIG-MRXNPFEDSA-N 0 0 333.432 0.377 10 0 ECAERN CC(C)c1nnc2n1C[C@@H](NC(=O)N1C[C@@H](C)O[C@@H](CO)C1)CC2 ZINC000248703825 320543306 /nfs/dbraw/zinc/54/33/06/320543306.db2.gz NWUJVKFJUTVUGB-FRRDWIJNSA-N 0 0 337.424 0.508 10 0 ECAERN Cc1cc(C)n2nc(CC(=O)N3CCOC[C@]34CCOC4)nc2n1 ZINC000328653649 320725316 /nfs/dbraw/zinc/72/53/16/320725316.db2.gz CHNSXNONTABTEE-MRXNPFEDSA-N 0 0 331.376 0.302 10 0 ECAERN CCS(=O)(=O)N1CCN(C(=O)C[C@H](C)N2CCCCC2=O)CC1 ZINC000328676985 320726996 /nfs/dbraw/zinc/72/69/96/320726996.db2.gz AJQPYRVYCNFBOV-ZDUSSCGKSA-N 0 0 345.465 0.271 10 0 ECAERN COc1cccc(CC(=O)N2CCC[C@@H]2C(=O)N2CCN(C)CC2)n1 ZINC000328754402 320730858 /nfs/dbraw/zinc/73/08/58/320730858.db2.gz OAXQPKSALHMPAZ-OAHLLOKOSA-N 0 0 346.431 0.398 10 0 ECAERN O=C(C[C@@H]1CCCCNC1=O)N1CCC[C@@](O)(Cn2ccnn2)C1 ZINC000329197343 320759348 /nfs/dbraw/zinc/75/93/48/320759348.db2.gz UEZRTSXIQDWEJP-BBRMVZONSA-N 0 0 335.408 0.778 10 0 ECAERN Cc1nccnc1N1CCN(C(=O)[C@@H]2OC[C@H]3COCC[C@H]32)CC1 ZINC000329568152 320778876 /nfs/dbraw/zinc/77/88/76/320778876.db2.gz LMYXSOCHRSDWGP-RBSFLKMASA-N 0 0 332.404 0.485 10 0 ECAERN C[C@H]1CCN(S(=O)(=O)c2ccccc2Cn2cncn2)C[C@H]1O ZINC000329691754 320785409 /nfs/dbraw/zinc/78/54/09/320785409.db2.gz BXTDJWLQWUWHGT-GXTWGEPZSA-N 0 0 336.417 0.718 10 0 ECAERN COC[C@@H]1C[C@@H](OC)CN1C(=O)Cn1nnc(-c2ccccc2)n1 ZINC000348416804 321274692 /nfs/dbraw/zinc/27/46/92/321274692.db2.gz PCDFPYKDFOWGAY-UONOGXRCSA-N 0 0 331.376 0.602 10 0 ECAERN Cc1cc(N2CCC[C@H](NC(=O)NCCOC(C)C)C2=O)n(C)n1 ZINC000184141864 533896168 /nfs/dbraw/zinc/89/61/68/533896168.db2.gz JUBZNBHQSIKDON-ZDUSSCGKSA-N 0 0 337.424 0.948 10 0 ECAERN C[C@@H]1CN(C(=O)C(=O)NCc2ccc(F)cc2)C[C@@H]1N1CCOCC1 ZINC000173965734 534293811 /nfs/dbraw/zinc/29/38/11/534293811.db2.gz ZEWSVCHBDREZEE-CJNGLKHVSA-N 0 0 349.406 0.621 10 0 ECAERN C[C@@H]1CN(C(=O)Nc2nc3ccccn3n2)C[C@@H]1N1CCOCC1 ZINC000184428890 534367879 /nfs/dbraw/zinc/36/78/79/534367879.db2.gz FZSXEJMXORLEDW-OLZOCXBDSA-N 0 0 330.392 0.914 10 0 ECAERN Cc1nc(C[C@H]2CCCN(C(=O)NCC(=O)NCC3CC3)C2)no1 ZINC000183791270 534412392 /nfs/dbraw/zinc/41/23/92/534412392.db2.gz HKGCXMIERBQBQB-CYBMUJFWSA-N 0 0 335.408 0.868 10 0 ECAERN CC(=O)NC1CN(C(=O)C(=O)Nc2cn(-c3ccccc3)nc2C)C1 ZINC000191347138 526705183 /nfs/dbraw/zinc/70/51/83/526705183.db2.gz PKSOQWWIUGEKCP-UHFFFAOYSA-N 0 0 341.371 0.466 10 0 ECAERN CC(=O)NC1CN(C(=O)C(=O)Nc2cnn(-c3ccccc3)c2C)C1 ZINC000191338471 526705687 /nfs/dbraw/zinc/70/56/87/526705687.db2.gz SJTYPFZCPABKOY-UHFFFAOYSA-N 0 0 341.371 0.466 10 0 ECAERN CC(=O)NC1CN(C(=O)CNC(=O)NCc2ccc(Cl)cc2)C1 ZINC000191487548 526707150 /nfs/dbraw/zinc/70/71/50/526707150.db2.gz IWNJUJCCSYSGNN-UHFFFAOYSA-N 0 0 338.795 0.486 10 0 ECAERN COc1ccc(S(=O)(=O)N(C)C[C@H]2CN(C)CCO2)cc1C ZINC000074774970 545684406 /nfs/dbraw/zinc/68/44/06/545684406.db2.gz RGKVXUKEZYGIQH-CYBMUJFWSA-N 0 0 328.434 0.955 10 0 ECAERN CC[C@@H](OC1CCCCC1)C(=O)NC[C@@H](O)CN1CCOCC1 ZINC000132360807 545791705 /nfs/dbraw/zinc/79/17/05/545791705.db2.gz WWFPYTMHGSSJCY-GDBMZVCRSA-N 0 0 328.453 0.924 10 0 ECAERN Cc1ccc(S(N)(=O)=O)cc1C(=O)N[C@H]1CCCC[C@@H]1CO ZINC000179252114 545881218 /nfs/dbraw/zinc/88/12/18/545881218.db2.gz ZOFLLPOQGBCQIY-RISCZKNCSA-N 0 0 326.418 0.923 10 0 ECAERN Cc1ccccc1C(=O)N[C@H](C(=O)N1CC[C@H](CO)[C@@H](O)C1)C(C)C ZINC000249306419 545944386 /nfs/dbraw/zinc/94/43/86/545944386.db2.gz MZCIHZWQENQMOE-PVAVHDDUSA-N 0 0 348.443 0.951 10 0 ECAERN Cn1nccc1[C@@H]1OCCC[C@H]1CNC(=O)Cn1ccccc1=O ZINC000619294741 546316244 /nfs/dbraw/zinc/31/62/44/546316244.db2.gz ZRZYFGWAOMDESR-SUMWQHHRSA-N 0 0 330.388 0.866 10 0 ECAERN O=C(c1ccn(-c2ccccc2)n1)N1CC[C@](O)(Cn2ccnn2)C1 ZINC000671498109 548160801 /nfs/dbraw/zinc/16/08/01/548160801.db2.gz BOEYAVCVIVFAEG-QGZVFWFLSA-N 0 0 338.371 0.741 10 0 ECAERN Cn1ncc(Br)c1CN1CCC[C@](O)(c2cn[nH]n2)C1 ZINC000794010915 578568759 /nfs/dbraw/zinc/56/87/59/578568759.db2.gz VRHKJSMWUAAKCM-GFCCVEGCSA-N 0 0 341.213 0.784 10 0 ECAERN CCOC(=O)c1ncc(Br)c(N2CCO[C@H](CO)C2)n1 ZINC000892848107 586295543 /nfs/dbraw/zinc/29/55/43/586295543.db2.gz RVGJOHKAHYFLFL-QMMMGPOBSA-N 0 0 346.181 0.613 10 0 ECAERN Cn1c2[nH]c(N3CC[C@H](Oc4ccccn4)C3)nc2c(=O)n(C)c1=O ZINC000892936697 586301488 /nfs/dbraw/zinc/30/14/88/586301488.db2.gz MJSLDAZTNUWDQX-JTQLQIEISA-N 0 0 342.359 0.013 10 0 ECAERN Cc1cnc2cc(C(=O)N[C@H]3COC[C@H]3Oc3cnn(C)c3)ccn12 ZINC000888094073 586348599 /nfs/dbraw/zinc/34/85/99/586348599.db2.gz BXDDVSQJRBNEMH-LSDHHAIUSA-N 0 0 341.371 0.952 10 0 ECAERN Cn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2ccc(=O)n(C3CC3)c2)cn1 ZINC000888094079 586348625 /nfs/dbraw/zinc/34/86/25/586348625.db2.gz FHVYSFGQXFTIDD-LSDHHAIUSA-N 0 0 344.371 0.493 10 0 ECAERN Cc1nn(C)c(C)c1CCC(=O)N[C@H]1CCC(=O)N[C@@H]1[C@H]1CCCO1 ZINC000888095819 586349363 /nfs/dbraw/zinc/34/93/63/586349363.db2.gz YYNROURMEPAPCZ-DAYGRLMNSA-N 0 0 348.447 0.912 10 0 ECAERN CNC(=O)[C@H]1CC(=O)N(C2CN(C(=O)C3(F)CCCCC3)C2)C1 ZINC000888098906 586350134 /nfs/dbraw/zinc/35/01/34/586350134.db2.gz XWOSTWVYTNWIIA-NSHDSACASA-N 0 0 325.384 0.464 10 0 ECAERN CC(C)(C)c1cn2c(n1)CC[C@@H](NC(=O)CN1CCNC(=O)C1)C2 ZINC000900479256 586634861 /nfs/dbraw/zinc/63/48/61/586634861.db2.gz STFHBFBQHNSXNA-GFCCVEGCSA-N 0 0 333.436 0.043 10 0 ECAERN COC(=O)[C@@]1(NC(=O)C2C[C@H]3CSC[C@@H](C2)C3=O)CCOC1 ZINC000901013225 586682088 /nfs/dbraw/zinc/68/20/88/586682088.db2.gz RXKVPVMHYYBTQV-UFFDXJJYSA-N 0 0 327.402 0.393 10 0 ECAERN CCc1nccn1[C@H]1CCCN(C(=O)CCCS(N)(=O)=O)C1 ZINC000906597315 586958835 /nfs/dbraw/zinc/95/88/35/586958835.db2.gz WZGGJUVEVMTLRH-LBPRGKRZSA-N 0 0 328.438 0.678 10 0 ECAERN Cc1noc([C@@H](C)N2CCN(S(=O)(=O)N(C)C(C)C)CC2)n1 ZINC000111344640 589543148 /nfs/dbraw/zinc/54/31/48/589543148.db2.gz ZWVKVOWCRNQCPP-LLVKDONJSA-N 0 0 331.442 0.642 10 0 ECAERN Cn1cc(COC(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2cnn(C)c2)cn1 ZINC000115738048 589719093 /nfs/dbraw/zinc/71/90/93/589719093.db2.gz FJIGUROVWPRSFJ-DZGCQCFKSA-N 0 0 331.376 0.807 10 0 ECAERN CC(C)CN1C(=O)C(=O)N(CN2CC[C@@H](c3cnn(C)c3)C2)C1=O ZINC000116259500 589765727 /nfs/dbraw/zinc/76/57/27/589765727.db2.gz YFCXTYKOZKVMHE-GFCCVEGCSA-N 0 0 333.392 0.614 10 0 ECAERN Cc1cnn(CCNC(=O)C(=O)Nc2ccc(-n3nccn3)cc2)c1 ZINC000118133083 589836584 /nfs/dbraw/zinc/83/65/84/589836584.db2.gz VHONMTMOPZHPEG-UHFFFAOYSA-N 0 0 339.359 0.527 10 0 ECAERN Cn1cc(O[C@@H]2COC[C@@H]2NC(=O)C(F)(F)C2(O)CCC2)cn1 ZINC000862923721 589974631 /nfs/dbraw/zinc/97/46/31/589974631.db2.gz DBTPLYXDOJLDOR-WDEREUQCSA-N 0 0 331.319 0.233 10 0 ECAERN Cn1ncnc1CN1CC[C@@H](c2cc(=O)[nH]c(N3CCCC3)n2)C1 ZINC000864331333 590071236 /nfs/dbraw/zinc/07/12/36/590071236.db2.gz MSQLFDLCMAVEFK-GFCCVEGCSA-N 0 0 329.408 0.900 10 0 ECAERN C[C@@H]1CN(Cn2c(-c3ccccn3)csc2=O)C[C@@H](C(N)=O)O1 ZINC000120214084 590101354 /nfs/dbraw/zinc/10/13/54/590101354.db2.gz ODABGMDFKABYIY-MFKMUULPSA-N 0 0 334.401 0.504 10 0 ECAERN Cc1cnn(CC(=O)N2CC[C@H](c3cc(=O)[nH]c(N(C)C)n3)C2)c1 ZINC000864842394 590110664 /nfs/dbraw/zinc/11/06/64/590110664.db2.gz PBGDEHPGWBNYMV-LBPRGKRZSA-N 0 0 330.392 0.769 10 0 ECAERN O=C(NC[C@H](O)CN1CCOCC1)c1csc(-c2ccccn2)n1 ZINC000128126187 590360677 /nfs/dbraw/zinc/36/06/77/590360677.db2.gz HODZILRGRWHZLH-LBPRGKRZSA-N 0 0 348.428 0.628 10 0 ECAERN CC(C)c1nc([C@@H]2CCCN2Cn2nnc3c(cnn3C)c2=O)no1 ZINC000132522341 590649764 /nfs/dbraw/zinc/64/97/64/590649764.db2.gz VZQKUFWJKJRNJM-NSHDSACASA-N 0 0 344.379 0.826 10 0 ECAERN COc1ncc(Cl)c(N2CC[C@H]3OCCN(C(C)=O)[C@H]3C2)n1 ZINC000886031752 590787620 /nfs/dbraw/zinc/78/76/20/590787620.db2.gz SDERJHNUHLCCKS-NWDGAFQWSA-N 0 0 326.784 0.965 10 0 ECAERN Cc1nnc2ccc(N3CCN(C(=O)[C@@H]4CCCOCC4)CC3)nn12 ZINC000886068598 590790008 /nfs/dbraw/zinc/79/00/08/590790008.db2.gz PIFWRBOHYJHBEW-CQSZACIVSA-N 0 0 344.419 0.898 10 0 ECAERN Cc1c(C(=O)N[C@H]2CCO[C@@H]2c2cnn(CC3CC3)c2)nnn1C ZINC000886088123 590793966 /nfs/dbraw/zinc/79/39/66/590793966.db2.gz CEIYXOSKTTXMCH-DZGCQCFKSA-N 0 0 330.392 0.990 10 0 ECAERN CC(C)c1cc(C(=O)N2CCC[C@@](O)(Cc3nncn3C)C2)[nH]n1 ZINC000886095457 590794849 /nfs/dbraw/zinc/79/48/49/590794849.db2.gz XAQQSBSTMXPETK-MRXNPFEDSA-N 0 0 332.408 0.871 10 0 ECAERN Cc1nnc2n1C[C@@H](C(=O)N1CCN(c3ccccc3F)CC1)NC2 ZINC000844165645 591189092 /nfs/dbraw/zinc/18/90/92/591189092.db2.gz NWSMMTUPIOZSDH-AWEZNQCLSA-N 0 0 344.394 0.546 10 0 ECAERN Cc1nccn1C[C@@H]1CCCN1CN1C(=O)NC2(CCOCC2)C1=O ZINC000176085068 608772449 /nfs/dbraw/zinc/77/24/49/608772449.db2.gz IDPBCWVHQKLIRY-AWEZNQCLSA-N 0 0 347.419 0.714 10 0 ECAERN COC(=O)[C@H]1C[C@@H]1C(=O)OCCn1cc(Br)ccc1=O ZINC000181354589 609099292 /nfs/dbraw/zinc/09/92/92/609099292.db2.gz YFKLYTHOGUPHDV-UWVGGRQHSA-N 0 0 344.161 0.963 10 0 ECAERN COC(=O)[C@@H]1CC(=O)N(CN2CCC[C@H](Cn3nc(C)nc3C)C2)C1 ZINC000181376688 609099357 /nfs/dbraw/zinc/09/93/57/609099357.db2.gz LJABYYILVSNCID-LSDHHAIUSA-N 0 0 349.435 0.586 10 0 ECAERN COC(=O)C1CCN(C(=O)[C@H]2CN(C(C)=O)Cc3cccnc32)CC1 ZINC000222659974 609099514 /nfs/dbraw/zinc/09/95/14/609099514.db2.gz PHYUHYJQYKKBAT-HNNXBMFYSA-N 0 0 345.399 0.939 10 0 ECAERN COCCNC(=O)CCNC(=O)c1ccc(=O)n(-c2ccccc2)c1 ZINC000223303538 609709427 /nfs/dbraw/zinc/70/94/27/609709427.db2.gz UUFMYMACBDTMOR-UHFFFAOYSA-N 0 0 343.383 0.720 10 0 ECAERN O=C1[C@@H]2CC=CC[C@H]2C(=O)N1CN1CCC(Cn2ccnn2)CC1 ZINC000157070453 609711376 /nfs/dbraw/zinc/71/13/76/609711376.db2.gz XVBLVRIOTNUKMV-HUUCEWRRSA-N 0 0 329.404 0.899 10 0 ECAERN O=S(=O)(c1sccc1Br)N1CCOC[C@H]1CO ZINC000168666354 609738276 /nfs/dbraw/zinc/73/82/76/609738276.db2.gz GJVLYBRWYXZKJF-SSDOTTSWSA-N 0 0 342.236 0.892 10 0 ECAERN Cn1cnc(C(=O)N2CC[C@@H](C3CCN(S(C)(=O)=O)CC3)C2)c1 ZINC000169781939 609746185 /nfs/dbraw/zinc/74/61/85/609746185.db2.gz DFGNEKFOKDWTBK-CYBMUJFWSA-N 0 0 340.449 0.554 10 0 ECAERN CNC(=O)[C@@H]1CN(C(=O)[C@@H]2CC=CCC2)C[C@H]1c1nc(COC)no1 ZINC000169791209 609747358 /nfs/dbraw/zinc/74/73/58/609747358.db2.gz KBBIFXBHLNDNOL-JHJVBQTASA-N 0 0 348.403 0.860 10 0 ECAERN COC[C@@H](C)C(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000171996575 609766684 /nfs/dbraw/zinc/76/66/84/609766684.db2.gz JLZPRSOMTXCUCA-SECBINFHSA-N 0 0 328.381 0.650 10 0 ECAERN CC(=O)NCc1nnc2n1CCN(c1ncnc3c1CCC3)CC2 ZINC000067946482 609840768 /nfs/dbraw/zinc/84/07/68/609840768.db2.gz MGHGSCJWLDSJKL-UHFFFAOYSA-N 0 0 327.392 0.256 10 0 ECAERN CCN1C(=O)CN(CN2CCO[C@H](Cn3nc(C)cc3C)C2)C1=O ZINC000152867516 609884547 /nfs/dbraw/zinc/88/45/47/609884547.db2.gz SBNFZYSFIDLGOV-AWEZNQCLSA-N 0 0 335.408 0.442 10 0 ECAERN O=C(c1cc(N2CCOCC2)ccn1)N1CC[C@@H](n2ccnn2)C1 ZINC000911825680 609914072 /nfs/dbraw/zinc/91/40/72/609914072.db2.gz YLXWYZCMZZRFDX-CQSZACIVSA-N 0 0 328.376 0.597 10 0 ECAERN Cn1cc(CNc2ccc(C(=O)N3CCOC[C@@H]3CO)cc2)cn1 ZINC000912415135 609955050 /nfs/dbraw/zinc/95/50/50/609955050.db2.gz GQZLFNGZACKZJY-INIZCTEOSA-N 0 0 330.388 0.866 10 0 ECAERN O=C([C@H]1CC(=O)N(c2ccc(F)c(F)c2)C1)N1CCOC[C@H]1CO ZINC000912418963 609956890 /nfs/dbraw/zinc/95/68/90/609956890.db2.gz YWAHOYBDPZBSLM-CMPLNLGQSA-N 0 0 340.326 0.537 10 0 ECAERN O=C(OCCn1cc(Br)ccc1=O)[C@@H]1CNC(=O)C1 ZINC000181360241 610174068 /nfs/dbraw/zinc/17/40/68/610174068.db2.gz IHMXMFMALSFUGJ-QMMMGPOBSA-N 0 0 329.150 0.290 10 0 ECAERN CC(C)NS(=O)(=O)CCNS(=O)(=O)/C=C/c1ccccc1 ZINC000195341967 610945979 /nfs/dbraw/zinc/94/59/79/610945979.db2.gz UOGCYLDEQJXQEX-CSKARUKUSA-N 0 0 332.447 0.905 10 0 ECAERN COC[C@]1(C)NC(=O)N(CN2CCC[C@@H](n3cc(C)cn3)C2)C1=O ZINC000247152827 612825282 /nfs/dbraw/zinc/82/52/82/612825282.db2.gz SDRNBLHYYLJMCN-CJNGLKHVSA-N 0 0 335.408 0.743 10 0 ECAERN O=S1(=O)CCNC[C@@H]1CCNc1nnc(C(F)(F)F)s1 ZINC000721813419 745715179 /nfs/dbraw/zinc/71/51/79/745715179.db2.gz LGHBUWJNSDGORF-LURJTMIESA-N 0 0 330.357 0.746 10 0 ECAERN CN(C)c1ccc(NC(=O)C(=O)N2CC(NC(=O)C3CC3)C2)cc1 ZINC000187979146 529783396 /nfs/dbraw/zinc/78/33/96/529783396.db2.gz FVCHVNIQGMVVKW-UHFFFAOYSA-N 0 0 330.388 0.428 10 0 ECAERN C[NH2+][C@@H](C)CNC(=O)c1cc(NC(C)=O)ccc1[N-]S(C)(=O)=O ZINC000261635114 290804170 /nfs/dbraw/zinc/80/41/70/290804170.db2.gz CUZLGBUOUKTKIM-VIFPVBQESA-N 0 0 342.421 0.354 10 0 ECAERN O=C(Nc1ccc2c(c1)CCC2)C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000187976461 236366167 /nfs/dbraw/zinc/36/61/67/236366167.db2.gz AWKSZLMDJPMGGF-UHFFFAOYSA-N 0 0 327.384 0.851 10 0 ECAERN NC(=O)c1ccc(CNC(=O)N2CC(NC(=O)C3CCC3)C2)cc1 ZINC000188802586 236671790 /nfs/dbraw/zinc/67/17/90/236671790.db2.gz FZUMWPFBOQGBBS-UHFFFAOYSA-N 0 0 330.388 0.596 10 0 ECAERN Cc1ccccc1[C@@H](CC(=O)N1CC(NC(=O)C2CC2)C1)NC(N)=O ZINC000189430911 236892928 /nfs/dbraw/zinc/89/29/28/236892928.db2.gz IQDOVGUEFNBCGE-OAHLLOKOSA-N 0 0 344.415 0.832 10 0 ECAERN CC(C)(C)CC(=O)N[C@@H]1CO[C@H](CNC(=O)c2ccncc2)[C@H]1O ZINC000077265503 202392175 /nfs/dbraw/zinc/39/21/75/202392175.db2.gz KSHCOMFWXOKGAV-NFAWXSAZSA-N 0 0 335.404 0.492 10 0 ECAERN CCn1cc([C@@H]2CN(C(=O)NCCCN3CCCC3=O)CCO2)cn1 ZINC000190242585 238325874 /nfs/dbraw/zinc/32/58/74/238325874.db2.gz ITADZNKVBLPDGN-HNNXBMFYSA-N 0 0 349.435 0.998 10 0 ECAERN O=C(N[C@H]1CCc2ncnn2C1)C(=O)c1cnn(-c2ccccc2)c1 ZINC000113884231 201069277 /nfs/dbraw/zinc/06/92/77/201069277.db2.gz NFVPIUPPABIERK-ZDUSSCGKSA-N 0 0 336.355 0.778 10 0 ECAERN CCc1nc2n(n1)C[C@H](NS(=O)(=O)c1ncn(C)c1Cl)CC2 ZINC000114875020 201071943 /nfs/dbraw/zinc/07/19/43/201071943.db2.gz SVVQMTXVICTGHT-MRVPVSSYSA-N 0 0 344.828 0.521 10 0 ECAERN Cn1cc([C@H]2CCN(C(=O)CN3C(=O)NC4(CCCC4)C3=O)C2)cn1 ZINC000116117892 201074887 /nfs/dbraw/zinc/07/48/87/201074887.db2.gz IEUCXZNVFTYLKH-LBPRGKRZSA-N 0 0 345.403 0.601 10 0 ECAERN CCOCCS(=O)(=O)N1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC000116899471 201076887 /nfs/dbraw/zinc/07/68/87/201076887.db2.gz WLPWYQKYLUMXIU-CQSZACIVSA-N 0 0 330.454 0.973 10 0 ECAERN C[C@@H](CNC(=O)C(=O)Nc1cc(F)cc(F)c1)N1CCOCC1 ZINC000041602881 201093817 /nfs/dbraw/zinc/09/38/17/201093817.db2.gz NLEWATHPUFXNHC-JTQLQIEISA-N 0 0 327.331 0.740 10 0 ECAERN C[C@@H](NC(=O)C(=O)Nc1ccc(Cn2cncn2)cc1)[C@H]1CCCO1 ZINC000124528378 201096432 /nfs/dbraw/zinc/09/64/32/201096432.db2.gz DZBNSKJEIPGVGW-IUODEOHRSA-N 0 0 343.387 0.949 10 0 ECAERN C[C@H]1NC(=O)CC[C@@H]1NC(=O)Cn1cc(Br)ccc1=O ZINC000282193451 201327745 /nfs/dbraw/zinc/32/77/45/201327745.db2.gz SEZCKUMPNXGPJW-SCZZXKLOSA-N 0 0 342.193 0.394 10 0 ECAERN Nc1cc(NCc2ccc(S(N)(=O)=O)cc2)c2nccnc2n1 ZINC000001703632 201359315 /nfs/dbraw/zinc/35/93/15/201359315.db2.gz UPJXSIHACPCBRR-UHFFFAOYSA-N 0 0 330.373 0.867 10 0 ECAERN O=C(c1cnccn1)N1CCN2C(=O)N(C3CCOCC3)C[C@H]2C1 ZINC000085436101 202617659 /nfs/dbraw/zinc/61/76/59/202617659.db2.gz JIAZYSZTPXRIGR-CYBMUJFWSA-N 0 0 331.376 0.218 10 0 ECAERN CNc1cc(N2CCC[C@@H]2CNC(=O)c2c[nH]c(=S)[nH]2)ncn1 ZINC000193098354 240017273 /nfs/dbraw/zinc/01/72/73/240017273.db2.gz DSEBMMOWFFGQLZ-SECBINFHSA-N 0 0 333.421 0.929 10 0 ECAERN C[C@H](CC(=O)N1CCN(c2cnn(C)c2)CC1)N1CCCCC1=O ZINC000193414037 240154711 /nfs/dbraw/zinc/15/47/11/240154711.db2.gz YHSKPDNMRFGGQS-CQSZACIVSA-N 0 0 333.436 0.860 10 0 ECAERN COC(=O)[C@@H]1[C@H](c2ccccc2)C[C@@](C)(O)C[C@@]12NNC(=S)N2 ZINC000227070462 242119075 /nfs/dbraw/zinc/11/90/75/242119075.db2.gz WZKAYSDIQCXBKS-YXAMBPQSSA-N 0 0 335.429 0.783 10 0 ECAERN Cc1cc2c(ncn(CC(=O)NCC(=O)N3CCCCC3)c2=O)s1 ZINC000002940785 201551446 /nfs/dbraw/zinc/55/14/46/201551446.db2.gz SPDBFELLVMNBGT-UHFFFAOYSA-N 0 0 348.428 0.895 10 0 ECAERN C[C@H](O)CN1CCN(S(=O)(=O)Cc2ccc(Cl)nc2)C[C@H]1C ZINC000246329665 243231135 /nfs/dbraw/zinc/23/11/35/243231135.db2.gz ZWBCADPAXGJDIL-NEPJUHHUSA-N 0 0 347.868 0.952 10 0 ECAERN CNc1cc(N2CCC[C@@H]2CNC(=O)NC[C@H]2CCCO2)ncn1 ZINC000247035131 243358213 /nfs/dbraw/zinc/35/82/13/243358213.db2.gz XOCBQYHUBCQWNO-CHWSQXEVSA-N 0 0 334.424 0.965 10 0 ECAERN CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1ccc2ccccc2n1 ZINC000074349687 203286002 /nfs/dbraw/zinc/28/60/02/203286002.db2.gz QTMQHAKKBRBOIP-HNNXBMFYSA-N 0 0 347.440 0.970 10 0 ECAERN Cc1nc(S(=O)(=O)N2CCC(C(=O)N[C@H]3C[C@@H]3C)CC2)cn1C ZINC000075511473 203316667 /nfs/dbraw/zinc/31/66/67/203316667.db2.gz DXJKXKBNBPLYJI-GWCFXTLKSA-N 0 0 340.449 0.654 10 0 ECAERN C[C@H]1C[C@H]1NC(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 ZINC000076056651 203333960 /nfs/dbraw/zinc/33/39/60/203333960.db2.gz ALNRTOXVUQRYTC-SMDDNHRTSA-N 0 0 330.388 0.466 10 0 ECAERN C[C@@H](CNC(=O)NC[C@@](C)(O)c1ccsc1)N1CCOCC1 ZINC000077531734 203393830 /nfs/dbraw/zinc/39/38/30/203393830.db2.gz QSZDLSGRPHJVQM-SWLSCSKDSA-N 0 0 327.450 0.976 10 0 ECAERN C[C@@H](NC(=O)C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1)C1CC1 ZINC000092634619 203678163 /nfs/dbraw/zinc/67/81/63/203678163.db2.gz VLBUNDXDQHKONG-SNVBAGLBSA-N 0 0 329.360 0.424 10 0 ECAERN CN1CCO[C@H](CNC(=O)NCCCNC(=O)c2cccs2)C1 ZINC000104797999 204122340 /nfs/dbraw/zinc/12/23/40/204122340.db2.gz XSCOPGXYECXJQQ-GFCCVEGCSA-N 0 0 340.449 0.498 10 0 ECAERN CC(=O)N1CCN(C(=O)CN2CCC(Nc3cccnn3)CC2)CC1 ZINC000105805036 204162332 /nfs/dbraw/zinc/16/23/32/204162332.db2.gz YJUREYQHLGJLFJ-UHFFFAOYSA-N 0 0 346.435 0.044 10 0 ECAERN COC(=O)NCC(=O)N1CCCN(Cc2csc(C)n2)CC1 ZINC000105819514 204164765 /nfs/dbraw/zinc/16/47/65/204164765.db2.gz SCSVAISCFAXRCA-UHFFFAOYSA-N 0 0 326.422 0.842 10 0 ECAERN CCCn1cc(CN2CCCN(C(=O)[C@@H]3CCC(=O)N3)CC2)cn1 ZINC000105831307 204166331 /nfs/dbraw/zinc/16/63/31/204166331.db2.gz ZOWKVUURQLWHFE-HNNXBMFYSA-N 0 0 333.436 0.606 10 0 ECAERN CN1CCO[C@H](CNC(=O)N2CCN(c3cccc(O)c3)CC2)C1 ZINC000105280640 204140886 /nfs/dbraw/zinc/14/08/86/204140886.db2.gz WRIBXTQKCDEIRI-MRXNPFEDSA-N 0 0 334.420 0.554 10 0 ECAERN Cc1nn(C)c(C)c1CN1CCN(CC(=O)Nc2nncs2)CC1 ZINC000105865907 204171963 /nfs/dbraw/zinc/17/19/63/204171963.db2.gz PMOKGTMDLMAHNV-UHFFFAOYSA-N 0 0 349.464 0.645 10 0 ECAERN C[C@H](C(=O)Nc1ncccn1)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000105869575 204172506 /nfs/dbraw/zinc/17/25/06/204172506.db2.gz XUHHXCQVKSTXTR-CQSZACIVSA-N 0 0 343.435 0.745 10 0 ECAERN CCc1nccn1[C@H]1CCCN(CC(=O)NCC(=O)N2CCCC2)C1 ZINC000105897265 204177752 /nfs/dbraw/zinc/17/77/52/204177752.db2.gz FHVZUFOAYFJPAC-HNNXBMFYSA-N 0 0 347.463 0.821 10 0 ECAERN CN1CCO[C@@H](CNC(=O)c2cc3c([nH]c2=O)CC(C)(C)CC3=O)C1 ZINC000106912963 204218965 /nfs/dbraw/zinc/21/89/65/204218965.db2.gz WBBPEBOPUOFRQJ-NSHDSACASA-N 0 0 347.415 0.590 10 0 ECAERN CCN1C[C@@H](C(=O)N2CCO[C@@H](Cn3nc(C)cc3C)C2)CC1=O ZINC000110901999 204327072 /nfs/dbraw/zinc/32/70/72/204327072.db2.gz ZAASQYHPWOYJBQ-LSDHHAIUSA-N 0 0 334.420 0.596 10 0 ECAERN C[C@H](NC(=O)c1cccs1)C(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000111087401 204334774 /nfs/dbraw/zinc/33/47/74/204334774.db2.gz KQRDLZJHRVHTIL-STQMWFEESA-N 0 0 348.428 0.991 10 0 ECAERN O=C(N[C@@H](Cc1ccccc1)CN1CCOCC1)[C@@H]1CNC(=O)C1 ZINC000111124112 204337428 /nfs/dbraw/zinc/33/74/28/204337428.db2.gz HEZMXAOOGCNMOX-HOTGVXAUSA-N 0 0 331.416 0.182 10 0 ECAERN CCCC[C@H](NC(N)=O)C(=O)N1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000112066348 204381072 /nfs/dbraw/zinc/38/10/72/204381072.db2.gz ABFDUCSUONZVRG-KGLIPLIRSA-N 0 0 337.424 0.646 10 0 ECAERN COC(=O)c1cccc(CCNC(=O)N[C@@H]2CCc3ncnn3C2)c1 ZINC000127651302 205110748 /nfs/dbraw/zinc/11/07/48/205110748.db2.gz VYUWPNSYKVMNTA-CQSZACIVSA-N 0 0 343.387 0.921 10 0 ECAERN COc1ccc(CCCC(=O)NC[C@@H](O)CN2CCOCC2)cc1 ZINC000128091636 205133034 /nfs/dbraw/zinc/13/30/34/205133034.db2.gz CDKDTJDPEQKTMW-MRXNPFEDSA-N 0 0 336.432 0.827 10 0 ECAERN CC(=O)Nc1cc(S(=O)(=O)N[C@@H]2CCc3ncnn3C2)ccc1C ZINC000128308115 205143335 /nfs/dbraw/zinc/14/33/35/205143335.db2.gz YJSFIGNXGRYEPE-GFCCVEGCSA-N 0 0 349.416 0.838 10 0 ECAERN O=C(Nc1ccccc1-n1ccnn1)C(=O)N[C@H]1CCCC[C@H]1CO ZINC000130587201 205246163 /nfs/dbraw/zinc/24/61/63/205246163.db2.gz CWGFMCBKIVDXAG-STQMWFEESA-N 0 0 343.387 0.873 10 0 ECAERN C[C@@H]1NC(C(=O)N[C@@H]2CCCC[C@@H]2CO)=NN(c2ccccc2)C1=O ZINC000151060026 205608471 /nfs/dbraw/zinc/60/84/71/205608471.db2.gz HIWAGFYJRFDKDS-GZBFAFLISA-N 0 0 344.415 0.992 10 0 ECAERN CCOCCS(=O)(=O)N1CCN([C@@H](C)c2nc(CC)no2)CC1 ZINC000112093373 220241186 /nfs/dbraw/zinc/24/11/86/220241186.db2.gz CJRSHTBREHTMQQ-LBPRGKRZSA-N 0 0 346.453 0.677 10 0 ECAERN C[C@@H]1CN(C(=O)c2cn(Cc3ccccc3)nn2)C[C@H](C(N)=O)O1 ZINC000157534689 206142405 /nfs/dbraw/zinc/14/24/05/206142405.db2.gz MNDZAXFFXKOAMC-BXUZGUMPSA-N 0 0 329.360 0.041 10 0 ECAERN CCC(=O)N1CC[C@@H](C(=O)N2CCO[C@H](Cn3nc(C)cc3C)C2)C1 ZINC000161895709 206375570 /nfs/dbraw/zinc/37/55/70/206375570.db2.gz OEJSHFZRLAJUKX-CVEARBPZSA-N 0 0 348.447 0.986 10 0 ECAERN NC(=O)[C@@H]1COCCN1Cc1nc2sc3c(c2c(N)n1)CCCC3 ZINC000092229368 218127908 /nfs/dbraw/zinc/12/79/08/218127908.db2.gz CKKFLSQRFZHHSF-JTQLQIEISA-N 0 0 347.444 0.838 10 0 ECAERN CN1C(=O)c2ccc(C(=O)N3CCC[C@H](n4cncn4)C3)cc2C1=O ZINC000171579389 206721828 /nfs/dbraw/zinc/72/18/28/206721828.db2.gz AADSCZMMOPRHGR-LBPRGKRZSA-N 0 0 339.355 0.981 10 0 ECAERN Cc1cc(N2CCC[C@@H](NC(=O)Nc3cnn(C)c3)C2=O)n(C)n1 ZINC000174652195 207041672 /nfs/dbraw/zinc/04/16/72/207041672.db2.gz JHQOZVRPZNDHPM-GFCCVEGCSA-N 0 0 331.380 0.779 10 0 ECAERN Cn1ccc2ccc(NC(=O)C(=O)NC[C@@H]3CN(C)CCO3)cc21 ZINC000174905631 207070993 /nfs/dbraw/zinc/07/09/93/207070993.db2.gz XOBBKYSYXMTLFT-CQSZACIVSA-N 0 0 330.388 0.564 10 0 ECAERN Cc1cc(N2CCC[C@@H](NC(=O)CCc3cnn(C)c3)C2=O)n(C)n1 ZINC000175016565 207085635 /nfs/dbraw/zinc/08/56/35/207085635.db2.gz FDAWVTQAQBJXTD-CQSZACIVSA-N 0 0 344.419 0.706 10 0 ECAERN CN1CCOc2ccc(NC(=O)C(=O)N3CC[C@@H]([NH+](C)C)C3)cc21 ZINC000175999877 207180982 /nfs/dbraw/zinc/18/09/82/207180982.db2.gz HBWFDKSYVININF-CYBMUJFWSA-N 0 0 332.404 0.616 10 0 ECAERN CNC(=O)[C@@H]1CCCN1C(=O)Nc1cccc(-n2nnnc2C)c1 ZINC000176344016 207217764 /nfs/dbraw/zinc/21/77/64/207217764.db2.gz QYXHPIPFXRTSFU-ZDUSSCGKSA-N 0 0 329.364 0.713 10 0 ECAERN CS(=O)(=O)NCc1ccc(C(=O)N2CCN3CCCC[C@H]3C2)o1 ZINC000176587790 207240252 /nfs/dbraw/zinc/24/02/52/207240252.db2.gz UKXYWGHJOMBTMJ-LBPRGKRZSA-N 0 0 341.433 0.639 10 0 ECAERN Cc1nccn1C[C@@H]1CCCN1C(=O)Cn1nc2ccccn2c1=O ZINC000177140945 207298667 /nfs/dbraw/zinc/29/86/67/207298667.db2.gz LGSZATLHRKYYJS-AWEZNQCLSA-N 0 0 340.387 0.692 10 0 ECAERN Cn1cnnc1-c1cccc(NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2O)c1 ZINC000177188961 207303701 /nfs/dbraw/zinc/30/37/01/207303701.db2.gz FTOLZYPRVLHPFJ-KGLIPLIRSA-N 0 0 343.387 0.840 10 0 ECAERN C[C@](NC(=O)[C@@H]1CNC(=O)C1)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000177395026 207331958 /nfs/dbraw/zinc/33/19/58/207331958.db2.gz SRGRUEJPSIYTNU-RMLUDKJBSA-N 0 0 343.305 0.658 10 0 ECAERN CN(CC(=O)N[C@H]1CCCn2ncnc21)S(=O)(=O)c1ccccc1 ZINC000177553727 207354519 /nfs/dbraw/zinc/35/45/19/207354519.db2.gz ZWOPVTCLAPIEKJ-ZDUSSCGKSA-N 0 0 349.416 0.550 10 0 ECAERN NC(=O)[C@H]1COCCN1C[C@@H](O)c1ccccc1Br ZINC000179729805 207680065 /nfs/dbraw/zinc/68/00/65/207680065.db2.gz GGSJXYIAMXOAOY-VXGBXAGGSA-N 0 0 329.194 0.669 10 0 ECAERN C[C@@H](CC1CC1)NC(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000112721891 220387788 /nfs/dbraw/zinc/38/77/88/220387788.db2.gz ULNPCVOHXMGTPU-AWEZNQCLSA-N 0 0 338.452 0.361 10 0 ECAERN COCCN1CCN(C(=O)NC[C@@H](C)N2CCOCC2)C[C@H]1C ZINC000117477511 221068941 /nfs/dbraw/zinc/06/89/41/221068941.db2.gz FJVPQTMUIHEFOQ-HUUCEWRRSA-N 0 0 328.457 0.069 10 0 ECAERN COC[C@H](C)S(=O)(=O)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000117924330 221100153 /nfs/dbraw/zinc/10/01/53/221100153.db2.gz IGUQRBZPIQLJHW-ZDUSSCGKSA-N 0 0 330.454 0.293 10 0 ECAERN CO[C@@H]1CCN(S(=O)(=O)c2cn(C)cn2)[C@@H]1Cc1cccnc1 ZINC000248116787 257665063 /nfs/dbraw/zinc/66/50/63/257665063.db2.gz IXILLUZGFNULET-ZIAGYGMSSA-N 0 0 336.417 0.836 10 0 ECAERN Cc1ccc(N2CC[C@@H]3C[C@@H](C(=O)N4CCN(C)CC4)O[C@@H]3C2)nn1 ZINC000248110699 257664457 /nfs/dbraw/zinc/66/44/57/257664457.db2.gz HBMKFBYJRBFWKB-OWCLPIDISA-N 0 0 345.447 0.543 10 0 ECAERN CC[C@@H]1CN(C(=O)CS(=O)(=O)C(C)(C)C)CCN1CCOC ZINC000153091940 296690676 /nfs/dbraw/zinc/69/06/76/296690676.db2.gz FSPBRQQBFIIKTC-CYBMUJFWSA-N 0 0 334.482 0.769 10 0 ECAERN C[C@@H](CN1CCOCC1)NC(=O)c1cccc(C(=O)N2CCCC2)n1 ZINC000155085422 286849192 /nfs/dbraw/zinc/84/91/92/286849192.db2.gz YWMYAMXCEAMROF-AWEZNQCLSA-N 0 0 346.431 0.768 10 0 ECAERN Cc1cc(N2CCC[C@@H](NC(=O)Cc3ccn(C)n3)C2=O)n(C)n1 ZINC000181581192 164946549 /nfs/dbraw/zinc/94/65/49/164946549.db2.gz FMDBPMKBTUWWBR-CYBMUJFWSA-N 0 0 330.392 0.316 10 0 ECAERN O=C(NC1CN(C(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)C1)C1CC1 ZINC000187087885 164987163 /nfs/dbraw/zinc/98/71/63/164987163.db2.gz WPOMWGFVJCROFI-SNVBAGLBSA-N 0 0 348.325 0.070 10 0 ECAERN COCC(=O)NC1CN(C(=O)NCCCN(C)CC(F)(F)F)C1 ZINC000188403718 164997645 /nfs/dbraw/zinc/99/76/45/164997645.db2.gz UEBOQIBQUASUFP-UHFFFAOYSA-N 0 0 340.346 0.027 10 0 ECAERN Cn1cc(N2CCC[C@@H](NC(=O)c3cnn4ccncc34)C2)cn1 ZINC000189901741 165016670 /nfs/dbraw/zinc/01/66/70/165016670.db2.gz OLSITQJPULDQQU-GFCCVEGCSA-N 0 0 325.376 0.862 10 0 ECAERN CCn1cnnc1C1CCN(S(=O)(=O)[C@@H]2CCO[C@@H]2C)CC1 ZINC000190059932 165018251 /nfs/dbraw/zinc/01/82/51/165018251.db2.gz GESINCIGQAORCT-DGCLKSJQSA-N 0 0 328.438 0.985 10 0 ECAERN CC(=O)NC1CN(C(=O)N[C@@H]2C[C@H](C)N(c3ccccc3)C2=O)C1 ZINC000190220748 165019351 /nfs/dbraw/zinc/01/93/51/165019351.db2.gz MKTBOKJAKVPULY-XHDPSFHLSA-N 0 0 330.388 0.710 10 0 ECAERN C[C@@H]1C(=O)NCCCN1C(=O)C(=O)Nc1c[nH]nc1-c1ccccc1 ZINC000190673196 165023773 /nfs/dbraw/zinc/02/37/73/165023773.db2.gz TUKGEXJDAGKYAJ-LLVKDONJSA-N 0 0 341.371 0.752 10 0 ECAERN C[C@@H]1C(=O)NCCCN1C(=O)C(=O)Nc1ccc2scnc2c1 ZINC000190674222 165024519 /nfs/dbraw/zinc/02/45/19/165024519.db2.gz VMXYINHKDHQMQL-SECBINFHSA-N 0 0 332.385 0.972 10 0 ECAERN C[C@H]1C(=O)NCCCN1C(=O)C(=O)Nc1ccc2ncsc2c1 ZINC000190671017 165024744 /nfs/dbraw/zinc/02/47/44/165024744.db2.gz HWPYGVPMUHAMKA-VIFPVBQESA-N 0 0 332.385 0.972 10 0 ECAERN C[C@@H]1C(=O)NCCCN1C(=O)NCCNC(=O)c1ccccc1F ZINC000191501435 165033038 /nfs/dbraw/zinc/03/30/38/165033038.db2.gz JTDHGUKOYLREPM-LLVKDONJSA-N 0 0 336.367 0.476 10 0 ECAERN O=C(NC[C@@H](O)CN1CCOCC1)c1sccc1-n1cccc1 ZINC000192707970 165045442 /nfs/dbraw/zinc/04/54/42/165045442.db2.gz AWCRMNMBNMWXMD-CYBMUJFWSA-N 0 0 335.429 0.962 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)C(=O)Nc1nc(C)c(C)s1)CC2 ZINC000193104974 165053306 /nfs/dbraw/zinc/05/33/06/165053306.db2.gz DCKPKGQBXIEQEK-SNVBAGLBSA-N 0 0 348.432 0.984 10 0 ECAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N[C@H]1CCCN(c2ccccc2)C1 ZINC000193274349 165055517 /nfs/dbraw/zinc/05/55/17/165055517.db2.gz ZIVISEYPVNTYHZ-USXIJHARSA-N 0 0 331.416 0.753 10 0 ECAERN CN1CCO[C@@H](CNC(=O)c2ccc(CS(C)(=O)=O)cc2)C1 ZINC000194635582 165070007 /nfs/dbraw/zinc/07/00/07/165070007.db2.gz FEMNQXOSXRRDJZ-AWEZNQCLSA-N 0 0 326.418 0.292 10 0 ECAERN CC(C)n1nnnc1CS(=O)(=O)CCC(=O)NC1CCCC1 ZINC000195427131 165081794 /nfs/dbraw/zinc/08/17/94/165081794.db2.gz SVOPYDAGQARCLN-UHFFFAOYSA-N 0 0 329.426 0.618 10 0 ECAERN COC[C@H](C)NC(=O)NC(=O)CN1CCC(c2ccnn2C)CC1 ZINC000195503126 165085228 /nfs/dbraw/zinc/08/52/28/165085228.db2.gz SVONGFQXODDRPA-LBPRGKRZSA-N 0 0 337.424 0.460 10 0 ECAERN Cc1sc(Br)cc1S(=O)(=O)N1C[C@@H](O)[C@H](O)C1 ZINC000235811177 165091111 /nfs/dbraw/zinc/09/11/11/165091111.db2.gz GHTWYHZXNNPGEV-RNFRBKRXSA-N 0 0 342.236 0.545 10 0 ECAERN CN1C(=O)CC[C@H](C(=O)NC[C@@]2(O)CCOC2)[C@H]1c1ccccc1 ZINC000245749268 165113851 /nfs/dbraw/zinc/11/38/51/165113851.db2.gz XDVISEDRYQVTSL-LESCRADOSA-N 0 0 332.400 0.864 10 0 ECAERN CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)N2CCC[C@@H]2c2cnn(C)c2)O1 ZINC000246116067 165123131 /nfs/dbraw/zinc/12/31/31/165123131.db2.gz QFTAHAOBGFBRIT-ZNMIVQPWSA-N 0 0 349.435 0.902 10 0 ECAERN CCOCCN1CCN(S(=O)(=O)CC2CCOCC2)C[C@H]1C ZINC000246150581 165124682 /nfs/dbraw/zinc/12/46/82/165124682.db2.gz KZBXVGLIQQEPIO-CQSZACIVSA-N 0 0 334.482 0.785 10 0 ECAERN COC[C@@H](C)n1c(C)cc(C(=O)CN2CCOC[C@H]2C(N)=O)c1C ZINC000246457291 165135615 /nfs/dbraw/zinc/13/56/15/165135615.db2.gz NYUUQCOLYRHHJH-DOMZBBRYSA-N 0 0 337.420 0.681 10 0 ECAERN COC(=O)[C@@H](C)CS(=O)(=O)N1CCC[C@@H](n2cc(C)cn2)C1 ZINC000246536047 165137392 /nfs/dbraw/zinc/13/73/92/165137392.db2.gz VDOBYMYPMANLJJ-QWHCGFSZSA-N 0 0 329.422 0.967 10 0 ECAERN CCCC[C@@H](NC(N)=O)C(=O)N1CCN(CCOC)[C@@H](CC)C1 ZINC000247055687 165153133 /nfs/dbraw/zinc/15/31/33/165153133.db2.gz JTRIOZZJMDRZGW-UONOGXRCSA-N 0 0 328.457 0.783 10 0 ECAERN CNC(=O)CC(=O)NC[C@H](c1cccs1)N1CCO[C@H](C)C1 ZINC000248463457 165176969 /nfs/dbraw/zinc/17/69/69/165176969.db2.gz AQFSIYHZBCRSTK-VXGBXAGGSA-N 0 0 325.434 0.762 10 0 ECAERN O=C(CS[C@H]1CCS(=O)(=O)C1)N1CCN2CCCC[C@@H]2C1 ZINC000250205514 165203190 /nfs/dbraw/zinc/20/31/90/165203190.db2.gz QJUXUEFIVDWFMD-OLZOCXBDSA-N 0 0 332.491 0.603 10 0 ECAERN CCCCNC(=O)[C@H]1CCCN(C(=O)[C@@H]([NH3+])C2CCOCC2)C1 ZINC000261705279 165229340 /nfs/dbraw/zinc/22/93/40/165229340.db2.gz IJVGFTYTXJLDAJ-GJZGRUSLSA-N 0 0 325.453 0.895 10 0 ECAERN Cc1ccc(C(=O)N2CCN(Cc3noc(CN)n3)CC2)cc1F ZINC000262273807 165320333 /nfs/dbraw/zinc/32/03/33/165320333.db2.gz SVUGYIMWFPHWOB-UHFFFAOYSA-N 0 0 333.367 0.934 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NS(=O)(=O)c2cncc(F)c2)C1 ZINC000262495367 165356118 /nfs/dbraw/zinc/35/61/18/165356118.db2.gz ZFMHBCWDZCZMJD-UHFFFAOYSA-N 0 0 331.369 0.437 10 0 ECAERN CN1CC[C@@H](C(=O)NC2CC([N@@H+](CC(=O)[O-])CC3CC3)C2)CC1=O ZINC000262721304 165377931 /nfs/dbraw/zinc/37/79/31/165377931.db2.gz PWOWYQRSSHLKEY-IYXRBSQSSA-N 0 0 337.420 0.299 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)CNC(=O)C2CCCCC2)C1 ZINC000262726682 165378031 /nfs/dbraw/zinc/37/80/31/165378031.db2.gz SWGFLTJAENLEDP-UHFFFAOYSA-N 0 0 339.436 0.737 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)[C@@H]2COc3ccccc3O2)C1 ZINC000262797019 165388257 /nfs/dbraw/zinc/38/82/57/165388257.db2.gz LXGKYKHQYQHSCE-QOZQQMKHSA-N 0 0 334.372 0.880 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)c2cnn3ccc(C)nc23)C1 ZINC000262836777 165393188 /nfs/dbraw/zinc/39/31/88/165393188.db2.gz SPYFGRKCEQIKHX-UHFFFAOYSA-N 0 0 331.376 0.705 10 0 ECAERN O=C(NCCS(=O)(=O)Cc1ccccc1)[C@H]1CC(F)(F)CN1 ZINC000262898854 165398072 /nfs/dbraw/zinc/39/80/72/165398072.db2.gz DKAVGBKJKVIRQW-GFCCVEGCSA-N 0 0 332.372 0.715 10 0 ECAERN Cn1cc(N2CCC[C@@H](Nc3nn4c(nccc4=O)s3)C2)cn1 ZINC000301440237 296886965 /nfs/dbraw/zinc/88/69/65/296886965.db2.gz UCLHJIGAFSGDEP-SNVBAGLBSA-N 0 0 331.405 0.965 10 0 ECAERN COC(=O)Cn1ncc2c1ncnc2N1CCC[C@@H]1Cn1ccnc1 ZINC000301558920 296888339 /nfs/dbraw/zinc/88/83/39/296888339.db2.gz OCTISGJUHRKZBH-GFCCVEGCSA-N 0 0 341.375 0.865 10 0 ECAERN CC(C)[C@H](O)CC(=O)N1CCN(Cc2ccc(C(N)=O)cc2)CC1 ZINC000178899672 263155513 /nfs/dbraw/zinc/15/55/13/263155513.db2.gz JHSWUIOJANABPX-MRXNPFEDSA-N 0 0 333.432 0.837 10 0 ECAERN CC(=O)NC1CN(C(=O)C(=O)Nc2ccc(N3CCCC3)cc2C)C1 ZINC000191340853 263165024 /nfs/dbraw/zinc/16/50/24/263165024.db2.gz ODZSQBGQOUEDCJ-UHFFFAOYSA-N 0 0 344.415 0.881 10 0 ECAERN C[C@H](NC(=O)Nc1ccccc1)C(=O)N1CCN(CCO)[C@H](C)C1 ZINC000250122750 263176687 /nfs/dbraw/zinc/17/66/87/263176687.db2.gz VPOCDQOOJIGQPS-KGLIPLIRSA-N 0 0 334.420 0.722 10 0 ECAERN COc1cccc(CN2CCS(=O)(=O)C[C@H]2c2cnn(C)c2)n1 ZINC000279378974 263877475 /nfs/dbraw/zinc/87/74/75/263877475.db2.gz XSMGFPWEJJUUEQ-AWEZNQCLSA-N 0 0 336.417 0.795 10 0 ECAERN COc1cncc(S(=O)(=O)N[C@H]2CCC(=O)NC23CCC3)c1 ZINC000283169601 264090245 /nfs/dbraw/zinc/09/02/45/264090245.db2.gz KXFVAJQSANFYAG-LBPRGKRZSA-N 0 0 325.390 0.570 10 0 ECAERN O[C@]1(Cn2ccnn2)CCCN(c2nnnn2-c2ccccc2)C1 ZINC000284409957 264209555 /nfs/dbraw/zinc/20/95/55/264209555.db2.gz CXXFBUOPTHJOOS-OAHLLOKOSA-N 0 0 326.364 0.285 10 0 ECAERN Cn1cc([C@H]2CN(C(=O)COCc3ccccc3)C[C@@H]2C(N)=O)cn1 ZINC000284631936 264236505 /nfs/dbraw/zinc/23/65/05/264236505.db2.gz QKZFOUPDFLOFQM-CVEARBPZSA-N 0 0 342.399 0.664 10 0 ECAERN Cc1ccc(CS(=O)(=O)N2CCO[C@H](C)[C@H]2C(N)=O)cc1F ZINC000284798556 264239170 /nfs/dbraw/zinc/23/91/70/264239170.db2.gz SBRXGKJTTWSRCB-MFKMUULPSA-N 0 0 330.381 0.539 10 0 ECAERN O=C(CNC(=O)c1cc2ccccc2[nH]1)N1CC(NC(=O)C2CC2)C1 ZINC000189409091 437598860 /nfs/dbraw/zinc/59/88/60/437598860.db2.gz YUTVQFDXFDXXDT-UHFFFAOYSA-N 0 0 340.383 0.635 10 0 ECAERN O=C(NC1CN(C(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)C1)C1CC1 ZINC000189454550 437599568 /nfs/dbraw/zinc/59/95/68/437599568.db2.gz HUYCBXGOHALJAA-OAHLLOKOSA-N 0 0 341.411 0.772 10 0 ECAERN CC(=O)NCCN(C(=O)[C@H](C)[N@H+](C)Cc1ccccc1)[C@@H](C)C(=O)[O-] ZINC000262235581 278106616 /nfs/dbraw/zinc/10/66/16/278106616.db2.gz NVDILSVYQDQGNI-KBPBESRZSA-N 0 0 349.431 0.945 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)N2C[C@@H](C)O[C@H](COC)C2)C1 ZINC000263475891 279058618 /nfs/dbraw/zinc/05/86/18/279058618.db2.gz MOSYNDDWYQDPDT-RYSNWHEDSA-N 0 0 343.424 0.369 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)C(=O)Nc2cc(F)ccc2F)CC1 ZINC000189475325 437602273 /nfs/dbraw/zinc/60/22/73/437602273.db2.gz MWFQZDGRYVVLDS-GFCCVEGCSA-N 0 0 341.358 0.818 10 0 ECAERN C[C@@H]1CN([C@@H]2CCN(CC(F)(F)F)C2=O)C[C@H]1N1CCOCC1 ZINC000246320044 288249302 /nfs/dbraw/zinc/24/93/02/288249302.db2.gz DAMZKMHVAAZEBB-JHJVBQTASA-N 0 0 335.370 0.802 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)N[C@@H](C)CN1CCCC1=O)CC2 ZINC000172312980 288637094 /nfs/dbraw/zinc/63/70/94/288637094.db2.gz LEAZIGISBBAGSG-NWDGAFQWSA-N 0 0 334.424 0.465 10 0 ECAERN CN1C(=O)C[C@@H](C(=O)N2CCNC(=O)CC2)[C@@H]1c1ccc(F)cc1 ZINC000128931722 289818388 /nfs/dbraw/zinc/81/83/88/289818388.db2.gz FLUHXUPOLMEBJR-CJNGLKHVSA-N 0 0 333.363 0.694 10 0 ECAERN Cc1nccn1-c1cncc(N2C[C@@H](c3cnn(C)c3)[C@H](CO)C2)n1 ZINC000333025503 297101957 /nfs/dbraw/zinc/10/19/57/297101957.db2.gz GFXHAPFFTVTDLF-GJZGRUSLSA-N 0 0 339.403 0.917 10 0 ECAERN O=C(Nc1nc(CN2CCOCC2)cs1)N1CC(O)(C2CC2)C1 ZINC000333167980 297115699 /nfs/dbraw/zinc/11/56/99/297115699.db2.gz PBDYOIJEKFMFAO-UHFFFAOYSA-N 0 0 338.433 0.964 10 0 ECAERN O=C(NC[C@H](O)C1CCOCC1)c1cccc(C(=O)N2CCCC2)n1 ZINC000333203131 297117974 /nfs/dbraw/zinc/11/79/74/297117974.db2.gz ZZDGJMQGRPGAFV-INIZCTEOSA-N 0 0 347.415 0.835 10 0 ECAERN COc1c(CNC(=O)N2CCS(=O)(=O)C[C@H](C)C2)c(C)nn1C ZINC000333438552 297134139 /nfs/dbraw/zinc/13/41/39/297134139.db2.gz LJXHBMXSEKJMBX-SNVBAGLBSA-N 0 0 344.437 0.313 10 0 ECAERN COCCN1CCCN(C(=O)c2c[nH]nc2[C@@H]2CCOC2)CC1=O ZINC000364569188 300369022 /nfs/dbraw/zinc/36/90/22/300369022.db2.gz ZXORWAKWAOYNOT-GFCCVEGCSA-N 0 0 336.392 0.235 10 0 ECAERN CO[C@H]1C[C@H](C(=O)NC2[C@@H](C)CCC[C@@H]2C)N(S(C)(=O)=O)C1 ZINC000364827759 300392738 /nfs/dbraw/zinc/39/27/38/300392738.db2.gz BRAIFNCOSJYAOG-ZDEQEGDKSA-N 0 0 332.466 0.976 10 0 ECAERN Cc1n[nH]c(C)c1CC(=O)N1CC[C@]2(C1)NC(=O)N(C(C)C)C2=O ZINC000366718164 300568250 /nfs/dbraw/zinc/56/82/50/300568250.db2.gz LFKJBYVTEHZIJD-MRXNPFEDSA-N 0 0 333.392 0.500 10 0 ECAERN O=C1N[C@@]2(C(=O)Nc3ccc(Br)cc32)N2CCOC[C@H]12 ZINC000093884416 304683602 /nfs/dbraw/zinc/68/36/02/304683602.db2.gz OIBQUHGMKFHXII-ZWNOBZJWSA-N 0 0 338.161 0.385 10 0 ECAERN COC(=O)c1ccc(CNC(=O)C[C@@H]2C(=O)NCCN2C(C)C)cc1 ZINC000011817032 436047342 /nfs/dbraw/zinc/04/73/42/436047342.db2.gz JYILKFISFISLON-OAHLLOKOSA-N 0 0 347.415 0.688 10 0 ECAERN COC(=O)[C@@H]1CCCCN1C(=O)Cn1cnc2ccccc2c1=O ZINC000073743573 436092376 /nfs/dbraw/zinc/09/23/76/436092376.db2.gz PDCWWTNINFVMJS-AWEZNQCLSA-N 0 0 329.356 0.951 10 0 ECAERN NC(=O)[C@]1(O)CCCN(C(=O)[C@@H]2COc3ccc(Cl)cc3C2)C1 ZINC000375675278 301197334 /nfs/dbraw/zinc/19/73/34/301197334.db2.gz LKHMRXLCHUMMGR-ZBEGNZNMSA-N 0 0 338.791 0.730 10 0 ECAERN CC(C)C[C@H]([NH2+]CC(=O)[O-])C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000034646544 436255864 /nfs/dbraw/zinc/25/58/64/436255864.db2.gz XWFKAYOFZLZYMZ-KBPBESRZSA-N 0 0 335.404 0.288 10 0 ECAERN COc1ccc2c(c1)[nH]c(C(N)=O)c2S(=O)(=O)N1CCOCC1 ZINC000038493542 436262446 /nfs/dbraw/zinc/26/24/46/436262446.db2.gz GBPOHXHMLIHJGG-UHFFFAOYSA-N 0 0 339.373 0.296 10 0 ECAERN CCc1nnc(CS(=O)(=O)[C@@H](C)C(=O)N2CCC(C)CC2)n1C ZINC000091049500 436439058 /nfs/dbraw/zinc/43/90/58/436439058.db2.gz NRMRDQBQMYIMLS-LBPRGKRZSA-N 0 0 342.465 0.939 10 0 ECAERN Cc1cc(C)n(-c2ccc(C(=O)N3CCOC[C@H]3C(N)=O)cc2)n1 ZINC000091780941 436460954 /nfs/dbraw/zinc/46/09/54/436460954.db2.gz QVSQLXHFJXYBSD-HNNXBMFYSA-N 0 0 328.372 0.815 10 0 ECAERN COc1cc(-c2noc(CN3CCOC[C@@H]3C(N)=O)n2)ccc1C ZINC000092230240 436468683 /nfs/dbraw/zinc/46/86/83/436468683.db2.gz OJIFIMOYIAYXLY-GFCCVEGCSA-N 0 0 332.360 0.740 10 0 ECAERN O=C(NC[C@H](O)CN1CCOCC1)c1ncccc1C(F)(F)F ZINC000092277405 436468707 /nfs/dbraw/zinc/46/87/07/436468707.db2.gz WPRXKRBGSZQWCG-JTQLQIEISA-N 0 0 333.310 0.523 10 0 ECAERN NC(=O)[C@@H]1COCCN1CC(=O)Nc1ccccc1C(F)(F)F ZINC000092231094 436469082 /nfs/dbraw/zinc/46/90/82/436469082.db2.gz VBOBGUNOXCFZSO-NSHDSACASA-N 0 0 331.294 0.830 10 0 ECAERN COC(=O)C(CCn1cnc2c1nc(N)nc2Cl)C(=O)OC ZINC000095093268 436492559 /nfs/dbraw/zinc/49/25/59/436492559.db2.gz SALNWJHEVGXTER-UHFFFAOYSA-N 0 0 327.728 0.414 10 0 ECAERN CCCCNC(=O)[C@H]1CCCN(C(=O)NC[C@@H]2CN(C)CCO2)C1 ZINC000104798554 436564138 /nfs/dbraw/zinc/56/41/38/436564138.db2.gz HQYVGNAOPUNDSO-LSDHHAIUSA-N 0 0 340.468 0.655 10 0 ECAERN C[C@@H](NC(=O)NC[C@H](C)N1CCOCC1)C(=O)NCc1ccccc1 ZINC000056758780 436595106 /nfs/dbraw/zinc/59/51/06/436595106.db2.gz ISGPXHGTTYFXCR-LSDHHAIUSA-N 0 0 348.447 0.711 10 0 ECAERN Cc1ccc([C@H](C)NC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)o1 ZINC000057465782 436611568 /nfs/dbraw/zinc/61/15/68/436611568.db2.gz YCFYBOGFXGBSRF-JTQLQIEISA-N 0 0 345.359 0.213 10 0 ECAERN Cc1nn(C)c(C)c1-c1cc(C(=O)N[C@H]2CCc3ncnn3C2)[nH]n1 ZINC000112648923 436633462 /nfs/dbraw/zinc/63/34/62/436633462.db2.gz PVSYCPQGPLUNEF-NSHDSACASA-N 0 0 340.391 0.763 10 0 ECAERN CCN(C(=O)[C@@H](C)NC(=O)c1ccco1)[C@H](C)CS(C)(=O)=O ZINC000112692085 436634038 /nfs/dbraw/zinc/63/40/38/436634038.db2.gz NAAINOSUKYQOEQ-GHMZBOCLSA-N 0 0 330.406 0.680 10 0 ECAERN O=C(Nc1cc[nH]n1)[C@@H](NC(=O)[C@@H]1CNC(=O)C1)c1ccccc1 ZINC000112902219 436634162 /nfs/dbraw/zinc/63/41/62/436634162.db2.gz MJTBXSDACFVUTJ-FZMZJTMJSA-N 0 0 327.344 0.342 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)NCCCc1cnn(C)c1)CC2 ZINC000114954671 436645560 /nfs/dbraw/zinc/64/55/60/436645560.db2.gz TZMOQZKINVFTHK-ZDUSSCGKSA-N 0 0 331.424 0.821 10 0 ECAERN C[C@@H](NC(=O)c1ccco1)C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000117831103 436657608 /nfs/dbraw/zinc/65/76/08/436657608.db2.gz VLAPXTAQPJNABC-ZYHUDNBSSA-N 0 0 345.359 0.053 10 0 ECAERN CC(=O)N1CSC[C@H]1C(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000150711931 436687917 /nfs/dbraw/zinc/68/79/17/436687917.db2.gz RTIAMCNGLAYAOW-NEPJUHHUSA-N 0 0 337.449 0.754 10 0 ECAERN O=C(Nc1ccnn1Cc1ccccn1)C(=O)N1CCC[C@H]1CO ZINC000120916300 436701797 /nfs/dbraw/zinc/70/17/97/436701797.db2.gz NVKVNBXZRRKITB-ZDUSSCGKSA-N 0 0 329.360 0.248 10 0 ECAERN O=C(Nc1ccc(-n2cccn2)c(F)c1)C(=O)N1CCC[C@H]1CO ZINC000120927187 436703451 /nfs/dbraw/zinc/70/34/51/436703451.db2.gz RYTHHXGCPDTJST-LBPRGKRZSA-N 0 0 332.335 0.933 10 0 ECAERN CC(C)C[C@@H](NC(=O)[C@H]1CNC(=O)C1)c1nc(-c2nc[nH]n2)no1 ZINC000121047703 436705891 /nfs/dbraw/zinc/70/58/91/436705891.db2.gz PLIGWONZZSDMKA-RKDXNWHRSA-N 0 0 333.352 0.194 10 0 ECAERN Cc1[nH][nH]c(=O)c1CC(=O)N[C@H]1C[C@@H](c2nnc(CO)n2C2CC2)C1 ZINC000223864164 436708226 /nfs/dbraw/zinc/70/82/26/436708226.db2.gz HPQHRAXVGYOTAL-MGCOHNPYSA-N 0 0 346.391 0.035 10 0 ECAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)N[C@@H](CO)CC(C)C ZINC000121189013 436709555 /nfs/dbraw/zinc/70/95/55/436709555.db2.gz RTHKPSPNLCCDRR-VXGBXAGGSA-N 0 0 325.413 0.966 10 0 ECAERN Cc1cnn(CCNS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)c1 ZINC000117927871 436660442 /nfs/dbraw/zinc/66/04/42/436660442.db2.gz KZCDCQGFPOUZJX-UHFFFAOYSA-N 0 0 343.430 0.574 10 0 ECAERN CN1CCO[C@@H](CNC(=O)C(=O)Nc2ccc(Cl)cc2F)C1 ZINC000118115572 436662385 /nfs/dbraw/zinc/66/23/85/436662385.db2.gz JPFGMXKXLCTPMN-JTQLQIEISA-N 0 0 329.759 0.864 10 0 ECAERN O=C(Nc1ccc(Cl)cn1)C(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000194359978 436664939 /nfs/dbraw/zinc/66/49/39/436664939.db2.gz YGSUUCCDUZUXDK-UHFFFAOYSA-N 0 0 336.779 0.801 10 0 ECAERN CC(C)[C@@H](C)NS(=O)(=O)CCNS(=O)(=O)c1ccccc1 ZINC000119537268 436667666 /nfs/dbraw/zinc/66/76/66/436667666.db2.gz JKWSZPDNYFIWOJ-GFCCVEGCSA-N 0 0 334.463 0.929 10 0 ECAERN CCOCCN1CCN(C(=O)C(=O)Nc2ccc(C)nc2)C[C@H]1C ZINC000119412928 436668146 /nfs/dbraw/zinc/66/81/46/436668146.db2.gz BJARJFGSGYMJGJ-CQSZACIVSA-N 0 0 334.420 0.898 10 0 ECAERN CN1CCO[C@H](CNS(=O)(=O)c2cccc3nsnc32)C1 ZINC000194773041 436673062 /nfs/dbraw/zinc/67/30/62/436673062.db2.gz UHQIXLDUKHFULT-SECBINFHSA-N 0 0 328.419 0.300 10 0 ECAERN CCc1nnc(CN2CCN(c3cc(C)nc4ncnn43)CC2)n1C ZINC000195066332 436676856 /nfs/dbraw/zinc/67/68/56/436676856.db2.gz SIPDJHZHNICSDD-UHFFFAOYSA-N 0 0 341.423 0.446 10 0 ECAERN Cc1cc2nc(CN3CC(=O)N4CC[C@@H](O)C[C@H]4C3=O)[nH]c2cc1C ZINC000067867565 436728195 /nfs/dbraw/zinc/72/81/95/436728195.db2.gz GKEKZYKLNPIYHJ-DOMZBBRYSA-N 0 0 342.399 0.874 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)CS(=O)(=O)C(C)(C)C)CC2 ZINC000152498047 436731384 /nfs/dbraw/zinc/73/13/84/436731384.db2.gz LJQZRBCJOYJMGE-JTQLQIEISA-N 0 0 328.438 0.485 10 0 ECAERN CCCS(=O)(=O)CC(=O)N(C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000122022379 436732158 /nfs/dbraw/zinc/73/21/58/436732158.db2.gz RBTGHQYAUFDOLO-CYBMUJFWSA-N 0 0 340.449 0.729 10 0 ECAERN CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000068224137 436738698 /nfs/dbraw/zinc/73/86/98/436738698.db2.gz WNMISEIIQIPJIA-NSHDSACASA-N 0 0 333.392 0.730 10 0 ECAERN Cc1cc(C)nc(NC(=O)C(=O)N2CCN(C[C@H](C)O)[C@H](C)C2)c1 ZINC000248726241 436809846 /nfs/dbraw/zinc/80/98/46/436809846.db2.gz HVXKZXBGGSLXCQ-KGLIPLIRSA-N 0 0 334.420 0.550 10 0 ECAERN COCCOCCNC(=O)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000156863206 436821763 /nfs/dbraw/zinc/82/17/63/436821763.db2.gz GAFSCXZJUQBBLQ-LBPRGKRZSA-N 0 0 325.413 0.679 10 0 ECAERN CCCCn1c(N)c(N(C)Cc2nnc(C)n2CC)c(=O)[nH]c1=O ZINC000154781236 436785187 /nfs/dbraw/zinc/78/51/87/436785187.db2.gz YQTIBXSZLPYXEN-UHFFFAOYSA-N 0 0 335.412 0.475 10 0 ECAERN CC[C@@H]1CN(C(=O)CCS(=O)(=O)CC(C)C)CCN1C[C@H](C)O ZINC000246824580 436786167 /nfs/dbraw/zinc/78/61/67/436786167.db2.gz LLLFZIMZEAPAHC-LSDHHAIUSA-N 0 0 348.509 0.751 10 0 ECAERN NC(=O)COc1cccc(C(=O)N2CCC[C@H](Cn3cncn3)C2)c1 ZINC000126671452 436790324 /nfs/dbraw/zinc/79/03/24/436790324.db2.gz ZCMBLVJIMPVHGU-ZDUSSCGKSA-N 0 0 343.387 0.695 10 0 ECAERN Cc1noc([C@H]2COCCN2C(=O)Cn2c(=O)[nH]c3ccccc32)n1 ZINC000155394000 436794266 /nfs/dbraw/zinc/79/42/66/436794266.db2.gz DLHBDMHZIIBGTA-CYBMUJFWSA-N 0 0 343.343 0.621 10 0 ECAERN Cc1noc([C@@H]2COCCN2C(=O)c2cccc(-n3cnnn3)c2)n1 ZINC000155426255 436795140 /nfs/dbraw/zinc/79/51/40/436795140.db2.gz UCZCGFHEFBUACO-ZDUSSCGKSA-N 0 0 341.331 0.567 10 0 ECAERN CCCNC(=O)[C@H]1CCCN(C(=O)NC[C@H](C)N2CCOCC2)C1 ZINC000127238116 436799513 /nfs/dbraw/zinc/79/95/13/436799513.db2.gz MMMQKHJPROUVKK-GJZGRUSLSA-N 0 0 340.468 0.655 10 0 ECAERN Cc1cnn(C[C@@H]2CN(C[C@H](O)COC3CCOCC3)CCO2)c1 ZINC000127518593 436803048 /nfs/dbraw/zinc/80/30/48/436803048.db2.gz QMCMDMDVUZRGSY-RDJZCZTQSA-N 0 0 339.436 0.449 10 0 ECAERN O=C(Nc1cccc(OCCF)c1)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000130933365 436845173 /nfs/dbraw/zinc/84/51/73/436845173.db2.gz ZYOYWLSSOMKRKS-LBPRGKRZSA-N 0 0 347.350 0.696 10 0 ECAERN COC[C@@H]1CN(c2cnccn2)C[C@H]1C(=O)NCCn1ccnc1 ZINC000257177726 436856868 /nfs/dbraw/zinc/85/68/68/436856868.db2.gz BGDKKJHEQYBHHL-UONOGXRCSA-N 0 0 330.392 0.188 10 0 ECAERN COC(=O)Cn1cc(CCN2CCO[C@@H](c3nccs3)C2)nn1 ZINC000162984854 436916636 /nfs/dbraw/zinc/91/66/36/436916636.db2.gz PXDXPLFDOWDZOP-GFCCVEGCSA-N 0 0 337.405 0.524 10 0 ECAERN C[C@H](NC(=O)Cn1nc2ccccn2c1=O)c1nnc2n1CCCC2 ZINC000135431631 436917447 /nfs/dbraw/zinc/91/74/47/436917447.db2.gz PIBRBUXGSWYMOU-NSHDSACASA-N 0 0 341.375 0.301 10 0 ECAERN CS(=O)(=O)c1cc(C(=O)N2CC[C@@H](N3CCOCC3)C2)cs1 ZINC000163784242 436928203 /nfs/dbraw/zinc/92/82/03/436928203.db2.gz XJTPAZJGJFBGMJ-GFCCVEGCSA-N 0 0 344.458 0.698 10 0 ECAERN CCC(C(=O)OC)(C(=O)OC)n1cnc2c1nc(N)nc2Cl ZINC000257351949 436876989 /nfs/dbraw/zinc/87/69/89/436876989.db2.gz IBZRPQPXPGRKSX-UHFFFAOYSA-N 0 0 327.728 0.513 10 0 ECAERN C=CC(=O)NCCC(=O)NC[C@H]1CCCN1c1cc(NC)ncn1 ZINC000163895122 436927518 /nfs/dbraw/zinc/92/75/18/436927518.db2.gz XACBTJFTPXXOBL-GFCCVEGCSA-N 0 0 332.408 0.296 10 0 ECAERN COC(=O)[C@@H]1C[C@H]1C(=O)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000171558936 436980983 /nfs/dbraw/zinc/98/09/83/436980983.db2.gz SYZKOXJISMVQAR-OAGGEKHMSA-N 0 0 332.400 0.673 10 0 ECAERN CCc1nnsc1C(=O)N1CCN(c2ccc3nncn3n2)CC1 ZINC000136398328 436930871 /nfs/dbraw/zinc/93/08/71/436930871.db2.gz YXDFJUMBFRYWIH-UHFFFAOYSA-N 0 0 344.404 0.501 10 0 ECAERN CC(=O)NCC(=O)NCC(=O)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000169088623 436943311 /nfs/dbraw/zinc/94/33/11/436943311.db2.gz HKKYJKARACZIQZ-GFCCVEGCSA-N 0 0 345.321 0.529 10 0 ECAERN C[N@@H+](CC(=O)[O-])C[C@H]1CN(C(=O)CCc2cccs2)CCO1 ZINC000263015878 436949922 /nfs/dbraw/zinc/94/99/22/436949922.db2.gz ZIMKTPFHZUOIGV-LBPRGKRZSA-N 0 0 326.418 0.925 10 0 ECAERN C[C@@H]1CCC[C@@H](NC(=O)N2CCO[C@@H](C[N@H+](C)CC(=O)[O-])C2)C1 ZINC000263066660 436951180 /nfs/dbraw/zinc/95/11/80/436951180.db2.gz SQOAPRRVNACNFA-MCIONIFRSA-N 0 0 327.425 0.992 10 0 ECAERN C[C@@H](CC(=O)NC[C@H]1CN(C)CCO1)NC(=O)C1CCCCC1 ZINC000170758449 436953082 /nfs/dbraw/zinc/95/30/82/436953082.db2.gz ZSQZVDSIWNURLG-ZFWWWQNUSA-N 0 0 325.453 0.908 10 0 ECAERN O=C([C@@H]1CC(F)(F)CN1)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000263205618 436955930 /nfs/dbraw/zinc/95/59/30/436955930.db2.gz JQHDHVFEEXAJLF-MNOVXSKESA-N 0 0 337.392 0.010 10 0 ECAERN C[C@H](NC(=O)NC[C@@H]1CN(C)CCO1)c1ccc(-n2cncn2)cc1 ZINC000170920186 436960586 /nfs/dbraw/zinc/96/05/86/436960586.db2.gz OFDRJVVOVFWDGB-XJKSGUPXSA-N 0 0 344.419 0.958 10 0 ECAERN O=C(Cn1c(=O)cnc2ccccc21)N1CC[C@H](N2CCOCC2)C1 ZINC000172766075 437028481 /nfs/dbraw/zinc/02/84/81/437028481.db2.gz XOWWRBSAGNWPBU-AWEZNQCLSA-N 0 0 342.399 0.330 10 0 ECAERN Cc1cnn(C[C@@H]2CN(C(=O)NCCCn3ccnc3)CCO2)c1 ZINC000171914888 436992688 /nfs/dbraw/zinc/99/26/88/436992688.db2.gz HMYWFJSJGITWRE-HNNXBMFYSA-N 0 0 332.408 0.889 10 0 ECAERN O=C(N[C@@H]1CCc2ncnn2C1)c1csc(-c2cnccn2)n1 ZINC000172002807 436995556 /nfs/dbraw/zinc/99/55/56/436995556.db2.gz CYTBLLBIZOSDEJ-SECBINFHSA-N 0 0 327.373 0.936 10 0 ECAERN CC(C)NS(=O)(=O)CCNC(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000172121450 436998842 /nfs/dbraw/zinc/99/88/42/436998842.db2.gz ARIKZVBBEOWMCY-GFCCVEGCSA-N 0 0 343.453 0.247 10 0 ECAERN CN1CCO[C@H](CNC(=O)C(=O)Nc2ccc3scnc3c2)C1 ZINC000172308579 437008316 /nfs/dbraw/zinc/00/83/16/437008316.db2.gz JHDHOQCEAOXJIM-LLVKDONJSA-N 0 0 334.401 0.682 10 0 ECAERN COCCN1CCN(C(=O)N[C@@H](C)CN2CCCC2=O)C[C@@H]1C ZINC000172328937 437010894 /nfs/dbraw/zinc/01/08/94/437010894.db2.gz NUXBXGSAJQVTPV-KBPBESRZSA-N 0 0 326.441 0.359 10 0 ECAERN CN1CCO[C@@H](CNC(=O)C2CCN(C(=O)c3ccccc3)CC2)C1 ZINC000173337991 437047051 /nfs/dbraw/zinc/04/70/51/437047051.db2.gz BDVYTFJMRXMORG-KRWDZBQOSA-N 0 0 345.443 0.986 10 0 ECAERN Cc1cc(N2CCC[C@H](NC(=O)N3CCC[C@@H]3CO)C2=O)n(C)n1 ZINC000173566509 437056355 /nfs/dbraw/zinc/05/63/55/437056355.db2.gz WZBZEHPPVPHTSL-OLZOCXBDSA-N 0 0 335.408 0.390 10 0 ECAERN CCc1nnc([C@@H]2CN(C(=O)C(=O)Nc3ccccc3)CCO2)[nH]1 ZINC000173611973 437058344 /nfs/dbraw/zinc/05/83/44/437058344.db2.gz HHULYHUVAQRUQS-LBPRGKRZSA-N 0 0 329.360 0.906 10 0 ECAERN Cc1nnc([C@H]2CN([C@@H](C)c3nc(N)nc(N(C)C)n3)CCO2)[nH]1 ZINC000173656125 437059424 /nfs/dbraw/zinc/05/94/24/437059424.db2.gz MAOCJIKJPASFMU-WCBMZHEXSA-N 0 0 333.400 0.081 10 0 ECAERN Cc1cnn(CCNC(=O)c2ccc(C[C@@H]3CC(=O)NC3=O)cc2)c1 ZINC000173678000 437059456 /nfs/dbraw/zinc/05/94/56/437059456.db2.gz LVRZERWFVRSSJY-OAHLLOKOSA-N 0 0 340.383 0.827 10 0 ECAERN O=C(NCCc1cn2ccccc2n1)N1CC[C@@H](N2CCOCC2)C1 ZINC000173772427 437063350 /nfs/dbraw/zinc/06/33/50/437063350.db2.gz FDDOEIBAMSXVQN-MRXNPFEDSA-N 0 0 343.431 0.993 10 0 ECAERN CC(C)CC(=O)NCCC(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000173820073 437066576 /nfs/dbraw/zinc/06/65/76/437066576.db2.gz BAXHHPXEEUWBIC-GJZGRUSLSA-N 0 0 325.453 0.718 10 0 ECAERN Cc1nn(C)c(C)c1C(=O)C(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000173839701 437066605 /nfs/dbraw/zinc/06/66/05/437066605.db2.gz DKDPIGKYJCKESZ-FZMZJTMJSA-N 0 0 334.420 0.399 10 0 ECAERN C[C@@H]1CN(C(=O)c2ccc(N3CCCC3)nn2)C[C@H]1N1CCOCC1 ZINC000173878557 437066946 /nfs/dbraw/zinc/06/69/46/437066946.db2.gz WEYHHXNSYRBLAW-GDBMZVCRSA-N 0 0 345.447 0.870 10 0 ECAERN Cc1cc(N2CCC[C@@H](NC(=O)NCCn3ccnc3)C2=O)n(C)n1 ZINC000174034720 437072550 /nfs/dbraw/zinc/07/25/50/437072550.db2.gz DMDVBHLELNGKDY-CYBMUJFWSA-N 0 0 345.407 0.420 10 0 ECAERN COc1ccc(S(=O)(=O)N2CC[C@H](N3CCOCC3)C2)cc1F ZINC000174001050 437073679 /nfs/dbraw/zinc/07/36/79/437073679.db2.gz WQDIWBFAIWFAQL-LBPRGKRZSA-N 0 0 344.408 0.930 10 0 ECAERN Cc1cc(N2CCC[C@@H](NC(=O)c3cnn(C)c3C)C2=O)n(C)n1 ZINC000174990572 437091911 /nfs/dbraw/zinc/09/19/11/437091911.db2.gz PZJLVTHUZQTWQP-CYBMUJFWSA-N 0 0 330.392 0.696 10 0 ECAERN CN1CCO[C@@H](CNC(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)C1 ZINC000174750161 437088008 /nfs/dbraw/zinc/08/80/08/437088008.db2.gz IEGGUWIGMVHJOM-GJZGRUSLSA-N 0 0 328.457 0.069 10 0 ECAERN COCCCS(=O)(=O)NCCN1CCC[C@@H](n2cc(C)cn2)C1 ZINC000175204198 437096799 /nfs/dbraw/zinc/09/67/99/437096799.db2.gz MMRMLRTYYOYYTP-OAHLLOKOSA-N 0 0 344.481 0.784 10 0 ECAERN NC(=O)[C@H]1COCCN1C(=O)c1cc(F)ccc1Br ZINC000091783495 303333625 /nfs/dbraw/zinc/33/36/25/303333625.db2.gz NFOCRFLOXSPTEO-SNVBAGLBSA-N 0 0 331.141 0.915 10 0 ECAERN Cc1nn(C)c(Cl)c1S(=O)(=O)N[C@@H]1CCCn2ncnc21 ZINC000176749166 437156207 /nfs/dbraw/zinc/15/62/07/437156207.db2.gz GUUZAQVRTJZGFQ-MRVPVSSYSA-N 0 0 330.801 0.787 10 0 ECAERN CN(C)C(=O)[C@@H]1CCCN(c2cnn(C)c(=O)c2Br)C1 ZINC000301265784 437117946 /nfs/dbraw/zinc/11/79/46/437117946.db2.gz WKKIOMYMFCNJSI-SECBINFHSA-N 0 0 343.225 0.847 10 0 ECAERN O=C(Nc1cccc2cccnc21)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000177626504 437191998 /nfs/dbraw/zinc/19/19/98/437191998.db2.gz XIPLAEYVIWJOHN-LBPRGKRZSA-N 0 0 336.355 0.896 10 0 ECAERN CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1ccc2ccn(C)c2c1 ZINC000178396617 437214248 /nfs/dbraw/zinc/21/42/48/437214248.db2.gz PGWPEGYNQYWGBC-CYBMUJFWSA-N 0 0 328.372 0.854 10 0 ECAERN CCc1nn(C)c(OC)c1CNC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000179493386 437265817 /nfs/dbraw/zinc/26/58/17/437265817.db2.gz HMIIPWDGQIIOOD-SNVBAGLBSA-N 0 0 333.396 0.397 10 0 ECAERN CCOCCN(C)C(=O)N[C@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000179515590 437267065 /nfs/dbraw/zinc/26/70/65/437267065.db2.gz FWKBPBFDMZXUJX-ZDUSSCGKSA-N 0 0 337.424 0.902 10 0 ECAERN CCc1nnc2n1CCN(C1CN(C(=O)C[C@@H]3CCCCO3)C1)C2 ZINC000328627414 437240978 /nfs/dbraw/zinc/24/09/78/437240978.db2.gz GBSYBOOMSFNVSE-AWEZNQCLSA-N 0 0 333.436 0.826 10 0 ECAERN Cn1cnnc1[C@@H]1CN(C(=O)Cn2ncc3ccccc32)CCO1 ZINC000328629726 437242120 /nfs/dbraw/zinc/24/21/20/437242120.db2.gz PCOQZDNAMBVCPY-AWEZNQCLSA-N 0 0 326.360 0.765 10 0 ECAERN CNC(=O)c1ccc(N2CCC[C@H](Cn3nc(C)nc3C)C2)nn1 ZINC000266863798 437256171 /nfs/dbraw/zinc/25/61/71/437256171.db2.gz XTIQPKQMPUKWOD-ZDUSSCGKSA-N 0 0 329.408 0.961 10 0 ECAERN Cc1ccncc1NC(=O)C(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000180256613 437284352 /nfs/dbraw/zinc/28/43/52/437284352.db2.gz WBQSAOMCNOERMA-DZGCQCFKSA-N 0 0 332.404 0.508 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)N[C@H](C)c2nnc3ccccn32)CC1 ZINC000184760855 437411134 /nfs/dbraw/zinc/41/11/34/437411134.db2.gz BUUHHSIMTFXOJA-KGLIPLIRSA-N 0 0 346.435 0.888 10 0 ECAERN CC(=O)N[C@@H](CC(C)C)C(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000183147859 437377782 /nfs/dbraw/zinc/37/77/82/437377782.db2.gz CPUKQSFBMYSGES-BPUTZDHNSA-N 0 0 325.453 0.716 10 0 ECAERN O=C(Cc1ccc2c(c1)NC(=O)C2)N1CC[C@@H](N2CCOCC2)C1 ZINC000184342446 437401707 /nfs/dbraw/zinc/40/17/07/437401707.db2.gz LRERUJMYTLVALI-OAHLLOKOSA-N 0 0 329.400 0.657 10 0 ECAERN CCCCN1CCOC[C@@H]1C(=O)NCC1N=NC(=S)N1CC ZINC000184376827 437402109 /nfs/dbraw/zinc/40/21/09/437402109.db2.gz WQCFTPOPNVKHDG-LLVKDONJSA-N 0 0 327.454 0.704 10 0 ECAERN COCCn1cc(C(=O)N2CC(NC(=O)COC)C2)c2ccccc21 ZINC000185288813 437435030 /nfs/dbraw/zinc/43/50/30/437435030.db2.gz BMXKAPPZIAPNJB-UHFFFAOYSA-N 0 0 345.399 0.875 10 0 ECAERN COCC(=O)NC1CN(C(=O)NC[C@@H](C)c2ncc(C)s2)C1 ZINC000185805451 437450886 /nfs/dbraw/zinc/45/08/86/437450886.db2.gz IRNLERVJVNBRIT-SECBINFHSA-N 0 0 326.422 0.711 10 0 ECAERN CC(C)Cn1cnc(S(=O)(=O)N2CC(NC(=O)C3CCC3)C2)c1 ZINC000186175652 437462463 /nfs/dbraw/zinc/46/24/63/437462463.db2.gz MQIRPDBBBKQAEK-UHFFFAOYSA-N 0 0 340.449 0.828 10 0 ECAERN CCOc1cc(C)nc(N2CCN(C(=O)Cc3cncn3C)CC2)n1 ZINC000187075701 437492513 /nfs/dbraw/zinc/49/25/13/437492513.db2.gz NSXWLELYTAWOCU-UHFFFAOYSA-N 0 0 344.419 0.809 10 0 ECAERN O=C(Nc1ccc2ncsc2c1)C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000187983557 437520807 /nfs/dbraw/zinc/52/08/07/437520807.db2.gz MBQVFGZTUDXNFB-UHFFFAOYSA-N 0 0 344.396 0.972 10 0 ECAERN Cc1ccc(CCC(=O)NCC(=O)N2CCCNC(=O)[C@H]2C)cc1 ZINC000188064974 437525519 /nfs/dbraw/zinc/52/55/19/437525519.db2.gz OHWLFVAZEXLNTP-CQSZACIVSA-N 0 0 331.416 0.781 10 0 ECAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CCN(c2ccccc2F)CC1 ZINC000188397776 437545378 /nfs/dbraw/zinc/54/53/78/437545378.db2.gz UVFADCVDRUGRMU-CZUORRHYSA-N 0 0 335.379 0.456 10 0 ECAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CCN(c2cccc(C)c2C)CC1 ZINC000188545290 437553668 /nfs/dbraw/zinc/55/36/68/437553668.db2.gz HFDPZULPDLQISU-SJLPKXTDSA-N 0 0 345.443 0.934 10 0 ECAERN Cc1cnn(Cc2cc(C(=O)N3CC(NC(=O)C4CCC4)C3)no2)c1 ZINC000188553981 437557181 /nfs/dbraw/zinc/55/71/81/437557181.db2.gz RTNJOZQWKHQVIW-UHFFFAOYSA-N 0 0 343.387 0.969 10 0 ECAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1Cc2ccccc2N(C)C[C@@H]1C ZINC000189235007 437588377 /nfs/dbraw/zinc/58/83/77/437588377.db2.gz UKIMXQXOASSAHL-XGWLTEMNSA-N 0 0 331.416 0.835 10 0 ECAERN Cc1ccnc(-n2nccc2NC(=O)C(=O)N2CCC[C@@H]2CO)c1 ZINC000192077598 437665420 /nfs/dbraw/zinc/66/54/20/437665420.db2.gz HYCFYOSFUFWRHH-GFCCVEGCSA-N 0 0 329.360 0.498 10 0 ECAERN CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1ccc(C(F)(F)F)cn1 ZINC000193572481 437711793 /nfs/dbraw/zinc/71/17/93/437711793.db2.gz SOGDBBAKCWPWLM-SECBINFHSA-N 0 0 344.293 0.776 10 0 ECAERN C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N1C[C@@H](F)C[C@H]1CO)C2=O ZINC000366653841 438109171 /nfs/dbraw/zinc/10/91/71/438109171.db2.gz AYZIYSNWPCKFQU-YRORDHRNSA-N 0 0 341.383 0.418 10 0 ECAERN CCCC(=O)N1CCCC[C@@H]1C(=O)N1CCC[C@](O)(C(N)=O)C1 ZINC000367570054 438222731 /nfs/dbraw/zinc/22/27/31/438222731.db2.gz DSONHMUNAIBNGO-MLGOLLRUSA-N 0 0 325.409 0.006 10 0 ECAERN Cc1cc(O)cc(=O)n1CC(=O)N(C)C[C@@H]1CCc2nccn2C1 ZINC000369637675 438498849 /nfs/dbraw/zinc/49/88/49/438498849.db2.gz JJHBWRGGNMFBOE-ZDUSSCGKSA-N 0 0 330.388 0.780 10 0 ECAERN CCC(=O)N1CSC[C@@H]1C(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000369690949 438506614 /nfs/dbraw/zinc/50/66/14/438506614.db2.gz ZETXBWFEVLOHNZ-BFHYXJOUSA-N 0 0 341.477 0.477 10 0 ECAERN C[C@@H]1C[C@H]1C(=O)N1CCC[C@H](CS(=O)(=O)N2CCOCC2)C1 ZINC000521396682 439118543 /nfs/dbraw/zinc/11/85/43/439118543.db2.gz OLIDBQBLRBRHFN-HZSPNIEDSA-N 0 0 330.450 0.543 10 0 ECAERN Cn1ncc(Cl)c1S(=O)(=O)N1CCOC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000583616412 439486211 /nfs/dbraw/zinc/48/62/11/439486211.db2.gz ORDMJZCLKXXMCQ-MVWJERBFSA-N 0 0 349.840 0.624 10 0 ECAERN CN1C(=O)C[C@@H](NC(=O)c2cnn3cccnc23)[C@@H]1c1cccnc1 ZINC000583621001 439487713 /nfs/dbraw/zinc/48/77/13/439487713.db2.gz GXNOMISBPSAQCF-HIFRSBDPSA-N 0 0 336.355 0.826 10 0 ECAERN O[C@@]1(c2cn[nH]n2)CCCN(Cc2ncnn2-c2ccccc2)C1 ZINC000583618026 439488378 /nfs/dbraw/zinc/48/83/78/439488378.db2.gz VYRQUKIIYHZUDP-INIZCTEOSA-N 0 0 325.376 0.869 10 0 ECAERN NS(=O)(=O)c1cccc(-c2ccc3n[nH]nc3c2)c1-c1nn[nH]n1 ZINC000584596475 439603451 /nfs/dbraw/zinc/60/34/51/439603451.db2.gz GEERSBZIHNWOEU-UHFFFAOYSA-N 0 0 342.344 0.452 10 0 ECAERN NC(=O)c1cn([C@H]2CCN(C(=O)NCc3ccccc3F)C2)nn1 ZINC000643693436 440265827 /nfs/dbraw/zinc/26/58/27/440265827.db2.gz MUTFVBYYACAVSF-NSHDSACASA-N 0 0 332.339 0.673 10 0 ECAERN Cc1nnc(COC2CN(C(=O)[C@@H]3COc4ccccc4O3)C2)o1 ZINC000644208680 440472603 /nfs/dbraw/zinc/47/26/03/440472603.db2.gz NJXJDMMXCFMTHN-AWEZNQCLSA-N 0 0 331.328 0.945 10 0 ECAERN Cn1cnc(S(=O)(=O)NC[C@@H]2CCO[C@H]2c2nccn2C)c1 ZINC000659997458 440563458 /nfs/dbraw/zinc/56/34/58/440563458.db2.gz CSYFNCPOZFYVIT-CMPLNLGQSA-N 0 0 325.394 0.210 10 0 ECAERN CN(C[C@H]1CN(C)CCO1)C(=O)c1cccc(Cn2ccnn2)c1 ZINC000633916464 440572767 /nfs/dbraw/zinc/57/27/67/440572767.db2.gz QKXIHRHZCTUMEG-MRXNPFEDSA-N 0 0 329.404 0.729 10 0 ECAERN O=C(Cn1ncc(=O)c2ccccc21)N1CCC[C@@H](n2cncn2)C1 ZINC000328668993 320725831 /nfs/dbraw/zinc/72/58/31/320725831.db2.gz LUNLBCHRFWLHST-CYBMUJFWSA-N 0 0 338.371 0.852 10 0 ECAERN CCCN(C(=O)C[C@@H](C)N1CCCCC1=O)[C@H]1CC(=O)N(C)C1=O ZINC000328694303 320727829 /nfs/dbraw/zinc/72/78/29/320727829.db2.gz SLYFJTUCAROTBA-OLZOCXBDSA-N 0 0 337.420 0.773 10 0 ECAERN CCn1cnc2c(c1=O)CCN(C(=O)Cc1cccc(OC)n1)C2 ZINC000329464417 320773839 /nfs/dbraw/zinc/77/38/39/320773839.db2.gz RBDYPTAEBLZDFB-UHFFFAOYSA-N 0 0 328.372 0.794 10 0 ECAERN Cn1nncc1C(=O)N1CCNC(=O)[C@@H]1Cc1nc2ccccc2o1 ZINC000329481440 320774983 /nfs/dbraw/zinc/77/49/83/320774983.db2.gz DKQHXDGOWCAQOJ-NSHDSACASA-N 0 0 340.343 0.980 10 0 ECAERN C[C@H](C(=O)N(C)c1ccc(N2CCOCC2)nc1)N1CCOCC1 ZINC000329858712 320791967 /nfs/dbraw/zinc/79/19/67/320791967.db2.gz WFVDSSJIKONECR-CQSZACIVSA-N 0 0 334.420 0.602 10 0 ECAERN C[C@H](CC(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1)N1CCCCC1=O ZINC000329948831 320797340 /nfs/dbraw/zinc/79/73/40/320797340.db2.gz ZKIZEQYCXRXPLG-OAGGEKHMSA-N 0 0 337.464 0.957 10 0 ECAERN O=C([C@@H]1CC(=O)N(c2cn[nH]c2)C1)N1CCC[C@H](n2cncn2)C1 ZINC000330079199 320803273 /nfs/dbraw/zinc/80/32/73/320803273.db2.gz OCPOVMOXCMVOBH-NEPJUHHUSA-N 0 0 329.364 0.218 10 0 ECAERN CCNC(=O)N1CCN(S(=O)(=O)[C@@H]2CCC[C@H]2C(=O)OC)CC1 ZINC000391194528 321886285 /nfs/dbraw/zinc/88/62/85/321886285.db2.gz OBGJXNZFCPBWEW-VXGBXAGGSA-N 0 0 347.437 0.005 10 0 ECAERN Cc1ncc(CN2CCN(Cc3cn(C)c(=O)n(C)c3=O)CC2)s1 ZINC000179499601 534738275 /nfs/dbraw/zinc/73/82/75/534738275.db2.gz ZBEWXQCMESJFHS-UHFFFAOYSA-N 0 0 349.460 0.167 10 0 ECAERN CC(=O)NC1CN(C(=O)CCCc2nc3ccccc3c(=O)[nH]2)C1 ZINC000191488759 526706979 /nfs/dbraw/zinc/70/69/79/526706979.db2.gz JQWQUUYQZAXFHS-UHFFFAOYSA-N 0 0 328.372 0.593 10 0 ECAERN CCCCn1nccc1NC(=O)C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000187989646 527710180 /nfs/dbraw/zinc/71/01/80/527710180.db2.gz ZLVZZJFHESAARS-UHFFFAOYSA-N 0 0 333.392 0.359 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)C(=O)Nc2cccc(F)c2C)CC1 ZINC000189453542 529227020 /nfs/dbraw/zinc/22/70/20/529227020.db2.gz GLOZESMGFRYEPP-CYBMUJFWSA-N 0 0 337.395 0.988 10 0 ECAERN CCOc1cccc(C(=O)N2CCO[C@H](C[N@H+](C)CC(=O)[O-])C2)c1 ZINC000262968368 535448198 /nfs/dbraw/zinc/44/81/98/535448198.db2.gz RJEMYUAUIQQAGO-OAHLLOKOSA-N 0 0 336.388 0.943 10 0 ECAERN CC[C@H]1CN(C(=O)C(=O)Nc2cccc(C)n2)CCN1C[C@@H](C)O ZINC000193471724 536105866 /nfs/dbraw/zinc/10/58/66/536105866.db2.gz BHCZXRCESSGKRI-KGLIPLIRSA-N 0 0 334.420 0.632 10 0 ECAERN CN1CCN(c2ncc(NC(=O)COc3ncccn3)cn2)CC1 ZINC000224255680 536426777 /nfs/dbraw/zinc/42/67/77/536426777.db2.gz HBLAQVUXGJYBIG-UHFFFAOYSA-N 0 0 329.364 0.036 10 0 ECAERN COc1ccc(S(=O)(=O)NC[C@@H]2CC(=O)N(C)C2)cc1OC ZINC000074863300 545687046 /nfs/dbraw/zinc/68/70/46/545687046.db2.gz FZYZFOYEHNVPKT-JTQLQIEISA-N 0 0 328.390 0.460 10 0 ECAERN O=S(=O)(CC[C@@H]1CCCO1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000120326570 545750380 /nfs/dbraw/zinc/75/03/80/545750380.db2.gz QGRGFBPTEVIEOL-KBPBESRZSA-N 0 0 329.422 0.483 10 0 ECAERN C[C@@H]1CN(C(=O)C(=O)Nc2cnn(Cc3ccccn3)c2)C[C@@H](C)O1 ZINC000178783877 545877946 /nfs/dbraw/zinc/87/79/46/545877946.db2.gz FJUUBHLXYTYRGH-CHWSQXEVSA-N 0 0 343.387 0.901 10 0 ECAERN C[C@@H](C(=O)NCCCn1ccnn1)N1C(=O)c2ccccc2C1=O ZINC000182945766 545889832 /nfs/dbraw/zinc/88/98/32/545889832.db2.gz FHKINNASHIGBOM-NSHDSACASA-N 0 0 327.344 0.469 10 0 ECAERN C[C@@H](NC(=O)c1ccco1)C(=O)NCc1ccc2[nH]c(=O)[nH]c2c1 ZINC000184505996 545894524 /nfs/dbraw/zinc/89/45/24/545894524.db2.gz VSEAMJGREDUPJC-SECBINFHSA-N 0 0 328.328 0.884 10 0 ECAERN CS(=O)(=O)Cc1cccc(C(=O)N2CC(NC(=O)C3CC3)C2)c1 ZINC000189453656 545905217 /nfs/dbraw/zinc/90/52/17/545905217.db2.gz LCMARAZJZVLESQ-UHFFFAOYSA-N 0 0 336.413 0.582 10 0 ECAERN CCn1cc(O[C@@H]2CN(c3ccnc4c3cnn4C)C[C@H]2O)cn1 ZINC000624421090 546923659 /nfs/dbraw/zinc/92/36/59/546923659.db2.gz PUVTZSSHDFEQNY-HUUCEWRRSA-N 0 0 328.376 0.813 10 0 ECAERN Cc1noc([C@H]2CN(Cc3nnnn3CC(F)(F)F)C[C@@H](C)O2)n1 ZINC000625911874 547253418 /nfs/dbraw/zinc/25/34/18/547253418.db2.gz CRZSUYUCANIBGI-VXNVDRBHSA-N 0 0 347.301 0.889 10 0 ECAERN O=S(=O)(c1ccc(F)cc1)N1CC[C@@](O)(Cn2ccnn2)C1 ZINC000671431496 548147439 /nfs/dbraw/zinc/14/74/39/548147439.db2.gz PJCBDNDTENGHAM-CYBMUJFWSA-N 0 0 326.353 0.243 10 0 ECAERN CCN1[C@@]2(CCCN(C(=O)OC(C)(C)C)C2)C(=O)CS1(=O)=O ZINC000725256480 549729203 /nfs/dbraw/zinc/72/92/03/549729203.db2.gz PMKPONTWKNIZDE-CQSZACIVSA-N 0 0 332.422 0.991 10 0 ECAERN COCCC(=O)NC1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000169887167 578130727 /nfs/dbraw/zinc/13/07/27/578130727.db2.gz XIUULAOMOGCEGZ-UHFFFAOYSA-N 0 0 326.418 0.992 10 0 ECAERN CCn1cc(C(=O)N2CCN3C(=O)NC[C@@H]3C2)c(C2CCOCC2)n1 ZINC000888076004 586245415 /nfs/dbraw/zinc/24/54/15/586245415.db2.gz MUYVGXRYHDUWSC-CYBMUJFWSA-N 0 0 347.419 0.647 10 0 ECAERN Cn1cnnc1C[C@@]1(O)CCCN(CC(=O)NCc2ccco2)C1 ZINC000888076884 586245660 /nfs/dbraw/zinc/24/56/60/586245660.db2.gz SMOJELODABWDGD-INIZCTEOSA-N 0 0 333.392 0.094 10 0 ECAERN CN(C(=O)c1cn(CC2CC2)nn1)[C@H]1COC[C@H]1Oc1cnn(C)c1 ZINC000888078269 586246272 /nfs/dbraw/zinc/24/62/72/586246272.db2.gz FKSXGDGSRZUEBR-LSDHHAIUSA-N 0 0 346.391 0.340 10 0 ECAERN CC[C@H]1CN(C(=O)c2cccn3nnnc23)C[C@H]1N1CCOCC1 ZINC000896729826 586270069 /nfs/dbraw/zinc/27/00/69/586270069.db2.gz NZYKJYGJWKVXAY-GXTWGEPZSA-N 0 0 330.392 0.307 10 0 ECAERN CN(C)c1ccc(C(=O)N[C@H]2COC[C@H]2Oc2cnn(C)c2)cn1 ZINC000888094165 586348636 /nfs/dbraw/zinc/34/86/36/586348636.db2.gz BATHSSBHYPINAR-UONOGXRCSA-N 0 0 331.376 0.457 10 0 ECAERN CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NS(=O)(=O)c1ncc[n-]1)C2 ZINC000888098206 586350075 /nfs/dbraw/zinc/35/00/75/586350075.db2.gz BINRYEBAOUSCFE-HKUMRIAESA-N 0 0 328.438 0.168 10 0 ECAERN Cc1nc(C(=O)N[C@@H]2CCCC[C@@H]2Cc2nn(C)c(=O)n2C)co1 ZINC000888099406 586350486 /nfs/dbraw/zinc/35/04/86/586350486.db2.gz YGCDPBAFNNLXCU-VXGBXAGGSA-N 0 0 333.392 0.947 10 0 ECAERN CS(=O)(=O)CCN(C(=O)C1C[C@H]2CSC[C@@H](C1)C2=O)C1CC1 ZINC000901190515 586699656 /nfs/dbraw/zinc/69/96/56/586699656.db2.gz NOCIVIOGMCSMMA-YOGCLGLASA-N 0 0 345.486 0.980 10 0 ECAERN CC(C)(O)[C@@H](O)C(=O)NC[C@@H]1C[C@H](F)CN1Cc1cccs1 ZINC000907569232 586737232 /nfs/dbraw/zinc/73/72/32/586737232.db2.gz DSUMYMQPDNFOFY-GVXVVHGQSA-N 0 0 330.425 0.909 10 0 ECAERN CCc1nccn1[C@@H]1CCCN(C(=O)CCCS(N)(=O)=O)C1 ZINC000906597314 586958775 /nfs/dbraw/zinc/95/87/75/586958775.db2.gz WZGGJUVEVMTLRH-GFCCVEGCSA-N 0 0 328.438 0.678 10 0 ECAERN Cc1cnn(C[C@@H]2CN(Cn3nnc4ccccc4c3=O)CCO2)c1 ZINC000112071294 589576895 /nfs/dbraw/zinc/57/68/95/589576895.db2.gz ZFJQYBSEXBWFJP-AWEZNQCLSA-N 0 0 340.387 0.655 10 0 ECAERN Cn1cc([C@@H]2[C@H](C(=O)OCCn3cccn3)CCC(=O)N2C)cn1 ZINC000115737777 589719022 /nfs/dbraw/zinc/71/90/22/589719022.db2.gz HZHOYJBTYSBMAY-UKRRQHHQSA-N 0 0 331.376 0.770 10 0 ECAERN Cn1cc(O[C@@H]2COC[C@@H]2NC(=O)CCn2cc(Cl)cn2)cn1 ZINC000862925832 589975097 /nfs/dbraw/zinc/97/50/97/589975097.db2.gz QVIZEYJDQCPEBW-QWHCGFSZSA-N 0 0 339.783 0.623 10 0 ECAERN CCN1CCO[C@@H](CNC(=O)c2ocnc2C)[C@@H]1c1nccn1C ZINC000886027228 590786939 /nfs/dbraw/zinc/78/69/39/590786939.db2.gz OUNAOGMWOOPSPT-QWHCGFSZSA-N 0 0 333.392 0.908 10 0 ECAERN Cn1cnnc1C[C@]1(O)CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000886027170 590787203 /nfs/dbraw/zinc/78/72/03/590787203.db2.gz LWOPPYUKFVOVOZ-OAHLLOKOSA-N 0 0 336.417 0.573 10 0 ECAERN Cn1nccc1[C@H]1[C@H](CNC(=O)c2cc3n(n2)CCC3)OCCN1C ZINC000886027115 590787279 /nfs/dbraw/zinc/78/72/79/590787279.db2.gz GDYUAMNMJJCDTJ-HOTGVXAUSA-N 0 0 344.419 0.365 10 0 ECAERN O=C(c1coc(CC2CC2)n1)N1CCC[C@](O)(Cn2ccnn2)C1 ZINC000886041254 590787643 /nfs/dbraw/zinc/78/76/43/590787643.db2.gz DYKDSUZUJOXOPP-MRXNPFEDSA-N 0 0 331.376 0.886 10 0 ECAERN CCN1CCN(C(=O)c2cc(C)nc(=O)[nH]2)C[C@@H]1c1nccn1C ZINC000886044697 590788987 /nfs/dbraw/zinc/78/89/87/590788987.db2.gz XRAGBDWOXCQWMH-CYBMUJFWSA-N 0 0 330.392 0.743 10 0 ECAERN CNc1ccc(C(=O)NC[C@@H]2OCCN(C)[C@H]2c2ccnn2C)cn1 ZINC000886079002 590791580 /nfs/dbraw/zinc/79/15/80/590791580.db2.gz AVWRFVDOLWUQND-HOCLYGCPSA-N 0 0 344.419 0.659 10 0 ECAERN CCc1ocnc1C(=O)NC[C@@H]1OCCN(C)[C@H]1c1ccnn1C ZINC000886079247 590791706 /nfs/dbraw/zinc/79/17/06/590791706.db2.gz NWAORVWDDGLEAF-ZFWWWQNUSA-N 0 0 333.392 0.772 10 0 ECAERN Cc1noc(C[C@@]2(O)CCCN(Cc3cn(CC4CC4)nn3)C2)n1 ZINC000886079741 590791823 /nfs/dbraw/zinc/79/18/23/590791823.db2.gz ZRVVYBRPBVQARN-INIZCTEOSA-N 0 0 332.408 0.949 10 0 ECAERN Cn1ccnc1[C@H]1[C@H](NC(=O)CN2CCCCC2=O)CCC(=O)N1C ZINC000886084824 590792519 /nfs/dbraw/zinc/79/25/19/590792519.db2.gz KDOJGXQCLUGGDQ-MLGOLLRUSA-N 0 0 347.419 0.211 10 0 ECAERN CCN1CCO[C@@H](CNCc2nccnc2OC)[C@@H]1c1nccn1C ZINC000886081975 590792792 /nfs/dbraw/zinc/79/27/92/590792792.db2.gz OZBYRHUQHRWWBF-LSDHHAIUSA-N 0 0 346.435 0.770 10 0 ECAERN Cc1noc(C[C@@]2(O)CCCN(CC(=O)NCC(F)(F)F)C2)n1 ZINC000886091737 590794013 /nfs/dbraw/zinc/79/40/13/590794013.db2.gz PHJCKOIZRDZWIY-LBPRGKRZSA-N 0 0 336.314 0.426 10 0 ECAERN Cn1ncc(C(=O)N[C@@]2(c3ncc[nH]3)CCOC2)c1Br ZINC000886097099 590795409 /nfs/dbraw/zinc/79/54/09/590795409.db2.gz VZUXWAJEDJJQGS-LBPRGKRZSA-N 0 0 340.181 0.951 10 0 ECAERN Cc1cc(C(=O)N2CCN([C@]3(C(N)=O)CCOC3)CC2)ccc1F ZINC000886097131 590795888 /nfs/dbraw/zinc/79/58/88/590795888.db2.gz WFLDQJWZNJEYQB-QGZVFWFLSA-N 0 0 335.379 0.536 10 0 ECAERN Cn1nccc1CC(=O)N1CCC[C@](O)(Cc2nc(C3CC3)no2)C1 ZINC000886096852 590795892 /nfs/dbraw/zinc/79/58/92/590795892.db2.gz QNHPCHHFSHDSTM-KRWDZBQOSA-N 0 0 345.403 0.819 10 0 ECAERN O=C(N1CCN(C[C@@H](O)c2ccccc2)CC1)[C@@]1(O)CCSC1 ZINC000179751778 608923209 /nfs/dbraw/zinc/92/32/09/608923209.db2.gz HUOJLIVWPYLNOK-NVXWUHKLSA-N 0 0 336.457 0.732 10 0 ECAERN C[C@@H]1CN(Cn2c3cc(Cl)ccc3oc2=O)C[C@H](C(N)=O)O1 ZINC000177181880 608926123 /nfs/dbraw/zinc/92/61/23/608926123.db2.gz SFZGNHYATKQRGD-PRHODGIISA-N 0 0 325.752 0.780 10 0 ECAERN CC(=O)N1Cc2cccnc2[C@H](C(=O)NCCCn2cccn2)C1 ZINC000222624524 609100920 /nfs/dbraw/zinc/10/09/20/609100920.db2.gz GUWQOYHIKAEWNY-OAHLLOKOSA-N 0 0 327.388 0.930 10 0 ECAERN O=C(N[C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cn1 ZINC000183659388 609107733 /nfs/dbraw/zinc/10/77/33/609107733.db2.gz VFHNURLVYYVBQF-KBPBESRZSA-N 0 0 335.291 0.953 10 0 ECAERN Cc1nccc(N2CCN(CN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)CC2)n1 ZINC000184112385 609111500 /nfs/dbraw/zinc/11/15/00/609111500.db2.gz MKDMWUTWKSEOCT-GJZGRUSLSA-N 0 0 341.415 0.816 10 0 ECAERN CO[C@H]1CC(=O)N(CN2CCN(C[C@H](O)c3ccccc3)CC2)C1 ZINC000189145105 609130238 /nfs/dbraw/zinc/13/02/38/609130238.db2.gz PEKUJMJNSSWJJF-IRXDYDNUSA-N 0 0 333.432 0.542 10 0 ECAERN Cc1nn(C)c(N2CCC2)c1NC(=O)CN1CCCC[C@@H](O)C1=O ZINC000913245752 609658628 /nfs/dbraw/zinc/65/86/28/609658628.db2.gz ZHAWFBCMVPHRMY-GFCCVEGCSA-N 0 0 335.408 0.251 10 0 ECAERN Cc1cc(NC(=O)[C@H](C)NC2=NS(=O)(=O)c3ccccc32)n(C)n1 ZINC000056080952 609705067 /nfs/dbraw/zinc/70/50/67/609705067.db2.gz RGQYYJITYSIKRI-JTQLQIEISA-N 0 0 347.400 0.794 10 0 ECAERN CN(C)c1nc2ccccc2n(CCC(=O)N2CCC(O)CC2)c1=O ZINC000222867021 609705623 /nfs/dbraw/zinc/70/56/23/609705623.db2.gz JSQCOKCYUFDTQM-UHFFFAOYSA-N 0 0 344.415 0.836 10 0 ECAERN CC[C@H](C)[C@@H]1Nc2ncnc(N[C@@H]3CCS(=O)(=O)C3)c2NC1=O ZINC000224000762 609716468 /nfs/dbraw/zinc/71/64/68/609716468.db2.gz LBVWLSVAVISRTG-AEJSXWLSSA-N 0 0 339.421 0.854 10 0 ECAERN CNC(=O)N1CCC([C@H]2CCN(C(=O)CN3CCCC3=O)C2)CC1 ZINC000169781608 609745781 /nfs/dbraw/zinc/74/57/81/609745781.db2.gz DCZXTINAFBAUSN-AWEZNQCLSA-N 0 0 336.436 0.509 10 0 ECAERN COCc1nc(CCNS(=O)(=O)c2cccc(OC)c2)no1 ZINC000169774630 609745843 /nfs/dbraw/zinc/74/58/43/609745843.db2.gz AEWQDZWHGWVKDK-UHFFFAOYSA-N 0 0 327.362 0.746 10 0 ECAERN COCC(=O)N[C@@H]1CN(C(=O)c2cc3ccccc3[nH]2)CC[C@@H]1CO ZINC000169786456 609746203 /nfs/dbraw/zinc/74/62/03/609746203.db2.gz SUCIMFUKPCEZLN-CZUORRHYSA-N 0 0 345.399 0.754 10 0 ECAERN COCCn1cnn(CN2CCO[C@@H](Cn3cccn3)C2)c1=S ZINC000152785602 609879884 /nfs/dbraw/zinc/87/98/84/609879884.db2.gz REMYLUIRFUPFFX-CYBMUJFWSA-N 0 0 338.437 0.615 10 0 ECAERN CCS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCOC[C@H]2CO)c1 ZINC000912420288 609957315 /nfs/dbraw/zinc/95/73/15/609957315.db2.gz CPNKZLCGOCQJNI-SNVBAGLBSA-N 0 0 347.820 0.967 10 0 ECAERN C[C@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC000912754265 610003875 /nfs/dbraw/zinc/00/38/75/610003875.db2.gz CWHZLANOJHDQJS-XQHKEYJVSA-N 0 0 328.409 0.898 10 0 ECAERN C[NH2+][C@@](Cn1cc(I)cn1)(C(=O)[O-])C1CC1 ZINC000070678484 610461485 /nfs/dbraw/zinc/46/14/85/610461485.db2.gz IVQOORKRRGFHNK-SNVBAGLBSA-N 0 0 335.145 0.941 10 0 ECAERN C[C@@H]1COC[C@@H](C)N1CCS(=O)(=O)CCN1[C@H](C)COC[C@H]1C ZINC000246957134 612543257 /nfs/dbraw/zinc/54/32/57/612543257.db2.gz KJZLNPLPAOQZAY-KLHDSHLOSA-N 0 0 348.509 0.620 10 0 ECAERN O=C1[C@@H]2CC=CC[C@H]2C(=O)N1CN1CCO[C@H](Cn2cccn2)C1 ZINC000247059694 612753130 /nfs/dbraw/zinc/75/31/30/612753130.db2.gz LVJODLHNLLRREI-RRFJBIMHSA-N 0 0 330.388 0.493 10 0 ECAERN NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)c1c[nH]nc1-c1cccc(F)c1 ZINC000091725883 612911014 /nfs/dbraw/zinc/91/10/14/612911014.db2.gz HUOCMKUZMHQIMC-ZDUSSCGKSA-N 0 0 342.334 0.765 10 0 ECAERN CN1CCO[C@H]2CN(S(=O)(=O)c3cccc4ncccc43)C[C@H]21 ZINC000329895942 741616995 /nfs/dbraw/zinc/61/69/95/741616995.db2.gz CFUOQRWEMJMJRG-CABCVRRESA-N 0 0 333.413 0.938 10 0 ECAERN CC=CC=CC(=O)OCC(=O)c1c(N)n(CCC)c(=O)n(C)c1=O ZINC000097655712 219044974 /nfs/dbraw/zinc/04/49/74/219044974.db2.gz LAKWLPSTODUPOA-MOIRPGTBSA-N 0 0 335.360 0.397 10 0 ECAERN C[C@H]1CN(C(=O)CNC(=O)c2cccs2)C[C@H]1N1CCOCC1 ZINC000173960623 231082075 /nfs/dbraw/zinc/08/20/75/231082075.db2.gz MDOIFUBFIFUDHE-QWHCGFSZSA-N 0 0 337.445 0.657 10 0 ECAERN CCc1cc(N2CCC[C@@H](NC(=O)N3CC(NC(C)=O)C3)C2)ncn1 ZINC000190089664 529531602 /nfs/dbraw/zinc/53/16/02/529531602.db2.gz XTVQZAIMRRGBJY-CQSZACIVSA-N 0 0 346.435 0.538 10 0 ECAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)N1CC(NC(=O)C2CC2)C1 ZINC000187511720 529749736 /nfs/dbraw/zinc/74/97/36/529749736.db2.gz ULLPAFDEAAWPMB-LBPRGKRZSA-N 0 0 332.408 0.595 10 0 ECAERN CCc1nn(C)c(CC)c1CNC(=O)N1CC(NC(=O)C2CC2)C1 ZINC000187705828 529765890 /nfs/dbraw/zinc/76/58/90/529765890.db2.gz JHHZKLCQVMABCH-UHFFFAOYSA-N 0 0 333.436 0.965 10 0 ECAERN O=C(Cn1nnnc1CN1CCOCC1)N[C@@H]1CCc2ccccc21 ZINC000019229531 202001616 /nfs/dbraw/zinc/00/16/16/202001616.db2.gz FRTNQMPZNQXTOD-OAHLLOKOSA-N 0 0 342.403 0.309 10 0 ECAERN O=C(CNC(=O)N1CCNC(=O)C[C@H]1c1ccccc1)NCC1CC1 ZINC000183778746 235222405 /nfs/dbraw/zinc/22/24/05/235222405.db2.gz KYLQUBAQCISAAD-HNNXBMFYSA-N 0 0 344.415 0.785 10 0 ECAERN C[C@H]1CN(C(=O)Nc2nc3ccccn3n2)C[C@H]1N1CCOCC1 ZINC000184428947 235396056 /nfs/dbraw/zinc/39/60/56/235396056.db2.gz FZSXEJMXORLEDW-QWHCGFSZSA-N 0 0 330.392 0.914 10 0 ECAERN COCCN1CCN(CC(=O)NC(=O)NCC(F)(F)F)C[C@@H]1C ZINC000105832959 545740009 /nfs/dbraw/zinc/74/00/09/545740009.db2.gz PCNBGYRBXIOUTI-JTQLQIEISA-N 0 0 340.346 0.027 10 0 ECAERN CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](N)(C(C)C)C(=O)N12 ZINC000034505545 202274104 /nfs/dbraw/zinc/27/41/04/202274104.db2.gz DWRMEERDPRBHJG-RKLWJJNISA-N 0 0 325.409 0.222 10 0 in-vitro ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)CNC(=O)c1cccs1)CC2 ZINC000114890642 201072066 /nfs/dbraw/zinc/07/20/66/201072066.db2.gz TURUXHZZWKZPOV-JTQLQIEISA-N 0 0 333.417 0.763 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1ccc(CNC(N)=O)cc1)CC2 ZINC000114870425 201072104 /nfs/dbraw/zinc/07/21/04/201072104.db2.gz HXVUMNBHLJRFEX-ZDUSSCGKSA-N 0 0 342.403 0.754 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)NCCC(=O)N1CCCCC1)CC2 ZINC000114926439 201072859 /nfs/dbraw/zinc/07/28/59/201072859.db2.gz CUXGZXQMEGEYFB-ZDUSSCGKSA-N 0 0 348.451 0.857 10 0 ECAERN Cn1cnc(CNS(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)n1 ZINC000123789466 201091490 /nfs/dbraw/zinc/09/14/90/201091490.db2.gz MULGFIICSJFXPU-HZMBPMFUSA-N 0 0 326.422 0.630 10 0 ECAERN C[C@@H](CNC(=O)C(=O)Nc1ccc(F)cc1F)N1CCOCC1 ZINC000041600878 201093558 /nfs/dbraw/zinc/09/35/58/201093558.db2.gz KLBOYUGKAYUIBA-JTQLQIEISA-N 0 0 327.331 0.740 10 0 ECAERN C[C@@H](CNC(=O)C(=O)Nc1ccc(F)c(F)c1F)N1CCOCC1 ZINC000041600873 201094653 /nfs/dbraw/zinc/09/46/53/201094653.db2.gz XWCBAGREVHEZFC-VIFPVBQESA-N 0 0 345.321 0.879 10 0 ECAERN C[C@H](NC(=O)C(=O)Nc1ccccc1Cn1cncn1)[C@H]1CCCO1 ZINC000071065491 201170139 /nfs/dbraw/zinc/17/01/39/201170139.db2.gz RXEHOZIGOAHCIB-SWLSCSKDSA-N 0 0 343.387 0.949 10 0 ECAERN NC(=O)[C@@]1(O)CCCN(C(=O)c2ccc(Br)cc2O)C1 ZINC000285681160 201333418 /nfs/dbraw/zinc/33/34/18/201333418.db2.gz VZVAWMPZMNHXHY-CYBMUJFWSA-N 0 0 343.177 0.607 10 0 ECAERN CC[C@H](NS(=O)(=O)c1nc(C)n(C)c1Br)C(N)=O ZINC000291825519 201340338 /nfs/dbraw/zinc/34/03/38/201340338.db2.gz AQUNIZHEIPYMGT-LURJTMIESA-N 0 0 339.215 0.033 10 0 ECAERN COC(=O)C1=NNC(C(=O)OC)=C2COC3(CCCCC3)OC[C@@H]12 ZINC000003905083 283745920 /nfs/dbraw/zinc/74/59/20/283745920.db2.gz BBZPAJWAPNONQU-SNVBAGLBSA-N 0 0 338.360 0.869 10 0 ECAERN Cc1cccc(NC(=O)C(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)n1 ZINC000193718145 240279538 /nfs/dbraw/zinc/27/95/38/240279538.db2.gz YESKHQBWIFUDHS-OCCSQVGLSA-N 0 0 332.404 0.508 10 0 ECAERN O=C([C@@H]1Cc2ccccc2C(=O)O1)N1CC[C@@H](N2CCOCC2)C1 ZINC000172762534 296080828 /nfs/dbraw/zinc/08/08/28/296080828.db2.gz MGVYGCLTOWKDEI-ZBFHGGJFSA-N 0 0 330.384 0.701 10 0 ECAERN NNc1nnc(SCC(=O)NCc2ccccc2Cl)n1N ZINC000021035463 212202449 /nfs/dbraw/zinc/20/24/49/212202449.db2.gz COCSGGBNDMSAJQ-UHFFFAOYSA-N 0 0 327.801 0.339 10 0 ECAERN O=S1(=O)C[C@H](Oc2ccc(CO)cc2Br)[C@H](O)C1 ZINC000062703312 202801185 /nfs/dbraw/zinc/80/11/85/202801185.db2.gz KAASZJQEANNHCZ-KOLCDFICSA-N 0 0 337.191 0.478 10 0 ECAERN COC(=O)[C@H](CC(C)C)NC(=O)CN1CCC[C@@H](n2cncn2)C1 ZINC000247105885 243373456 /nfs/dbraw/zinc/37/34/56/243373456.db2.gz IQMJXMXUOCBUNO-KGLIPLIRSA-N 0 0 337.424 0.619 10 0 ECAERN Cc1nc(CN2CCC[C@@](O)(CNS(=O)(=O)N(C)C)CC2)co1 ZINC000072129781 203167018 /nfs/dbraw/zinc/16/70/18/203167018.db2.gz KZDRUMUOBDPMEN-AWEZNQCLSA-N 0 0 346.453 0.096 10 0 ECAERN CSc1nc2nc(C)c3c(ccn(C(C)(CO)CO)c3=O)n2n1 ZINC000072449550 203227286 /nfs/dbraw/zinc/22/72/86/203227286.db2.gz DCMWIRXQNIGBNM-UHFFFAOYSA-N 0 0 335.389 0.169 10 0 ECAERN CS(=O)(=O)NC1=NCN(Cc2ccc3c(c2)OCCCO3)CN1 ZINC000072460038 203228372 /nfs/dbraw/zinc/22/83/72/203228372.db2.gz YVUVHGQYRZYDAZ-UHFFFAOYSA-N 0 0 340.405 0.073 10 0 ECAERN COCc1nc2ncc3c(ccn(-n4c(C)nnc4C)c3=O)n2n1 ZINC000072465779 203229196 /nfs/dbraw/zinc/22/91/96/203229196.db2.gz XECSGXXQDYTMFY-UHFFFAOYSA-N 0 0 326.320 0.105 10 0 ECAERN C[C@@H](CNC(=O)C(=O)Nc1c(F)cc(F)cc1F)N1CCOCC1 ZINC000076238678 203342328 /nfs/dbraw/zinc/34/23/28/203342328.db2.gz MKARKBFAQYBDGT-VIFPVBQESA-N 0 0 345.321 0.879 10 0 ECAERN NC(=O)[C@@H]1COCCN1Cc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000092230304 203669773 /nfs/dbraw/zinc/66/97/73/203669773.db2.gz RRWHBZCDNCOJLO-NSHDSACASA-N 0 0 334.344 0.369 10 0 ECAERN CS(=O)(=O)N[C@@H]1CN(C(=O)Cc2ccccc2)[C@@H]2CCCO[C@H]12 ZINC000096064555 203818886 /nfs/dbraw/zinc/81/88/86/203818886.db2.gz PXOZQEXJUBWTMZ-IIAWOOMASA-N 0 0 338.429 0.537 10 0 ECAERN CN1CCO[C@@H](CNC(=O)NCC(=O)N2CCCc3ccccc32)C1 ZINC000104792057 204120835 /nfs/dbraw/zinc/12/08/35/204120835.db2.gz YWXWVTQAYIFLED-HNNXBMFYSA-N 0 0 346.431 0.596 10 0 ECAERN COc1ccccc1N1CCN(C(=O)NC[C@H]2CN(C)CCO2)CC1 ZINC000104799635 204122157 /nfs/dbraw/zinc/12/21/57/204122157.db2.gz NVOPDXVPXNNOLZ-HNNXBMFYSA-N 0 0 348.447 0.857 10 0 ECAERN CC(C)NC(=O)NC(=O)[C@H](C)N1CCC(Nc2cccnn2)CC1 ZINC000105805151 204162504 /nfs/dbraw/zinc/16/25/04/204162504.db2.gz HDAMEBYTMNUOGH-LBPRGKRZSA-N 0 0 334.424 0.976 10 0 ECAERN CCCNC(=O)CN(C)C(=O)CN1CCC(Nc2cccnn2)CC1 ZINC000105805066 204162591 /nfs/dbraw/zinc/16/25/91/204162591.db2.gz CJXFWYBLFCQEHR-UHFFFAOYSA-N 0 0 348.451 0.338 10 0 ECAERN COCCN1CCN([C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)C[C@H]1C ZINC000105831667 204166032 /nfs/dbraw/zinc/16/60/32/204166032.db2.gz GLHNFGARFSBSSG-KGLIPLIRSA-N 0 0 348.447 0.765 10 0 ECAERN Cc1cnn([C@H]2CCCN(C(=O)c3cn(CC(=O)N(C)C)nn3)C2)c1 ZINC000105860096 204171216 /nfs/dbraw/zinc/17/12/16/204171216.db2.gz WBWSNWVMVNLPLV-ZDUSSCGKSA-N 0 0 345.407 0.349 10 0 ECAERN Cc1cc(NC(=O)CN2CCCN(Cc3cnn(C)c3)CC2)on1 ZINC000105869571 204172718 /nfs/dbraw/zinc/17/27/18/204172718.db2.gz QTQNSIONGPBTMJ-UHFFFAOYSA-N 0 0 332.408 0.863 10 0 ECAERN C[C@H](C(=O)NCC(F)(F)F)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000105917716 204179833 /nfs/dbraw/zinc/17/98/33/204179833.db2.gz VBDLRXRWGHPBSN-GFCCVEGCSA-N 0 0 347.385 0.995 10 0 ECAERN CN1CCO[C@H](CNC(=O)N[C@@H]2CCN(c3ccccc3)C2=O)C1 ZINC000109360403 204282793 /nfs/dbraw/zinc/28/27/93/204282793.db2.gz OPDTXRKBIRIVCK-HUUCEWRRSA-N 0 0 332.404 0.422 10 0 ECAERN Cn1cc(N2CC[C@H](N3CCC(Nc4cccnn4)CC3)C2=O)cn1 ZINC000111227415 204342271 /nfs/dbraw/zinc/34/22/71/204342271.db2.gz FACPODUVSNTUCS-HNNXBMFYSA-N 0 0 341.419 0.892 10 0 ECAERN COC(=O)CCN(Cc1ccc(F)c(F)c1)C(=O)[C@H]1CNC(=O)C1 ZINC000110347316 220031515 /nfs/dbraw/zinc/03/15/15/220031515.db2.gz XJTDSIRFHRARDR-LLVKDONJSA-N 0 0 340.326 0.993 10 0 ECAERN NC(=O)[C@H]1CC[C@@H](CNC(=O)N2CCC(Cn3cccn3)CC2)O1 ZINC000126248234 205046682 /nfs/dbraw/zinc/04/66/82/205046682.db2.gz KJVYDIJTIVBZPG-UONOGXRCSA-N 0 0 335.408 0.338 10 0 ECAERN C[C@H](O)C1CCN(C(=O)C(=O)Nc2cccc(-n3ccnn3)c2)CC1 ZINC000126721653 205068608 /nfs/dbraw/zinc/06/86/08/205068608.db2.gz YNEWRPHWDDDWNX-LBPRGKRZSA-N 0 0 343.387 0.825 10 0 ECAERN CC(=O)N1CCC[C@H](C(=O)N2CCCN(Cc3noc(C)n3)CC2)C1 ZINC000110945740 220082198 /nfs/dbraw/zinc/08/21/98/220082198.db2.gz NBFLICLOEBHOEI-HNNXBMFYSA-N 0 0 349.435 0.671 10 0 ECAERN CCCS(=O)(=O)CC(=O)N1CCCN(Cc2noc(C)n2)CC1 ZINC000110946537 220082787 /nfs/dbraw/zinc/08/27/87/220082787.db2.gz WAUKQUVCHNLSQC-UHFFFAOYSA-N 0 0 344.437 0.237 10 0 ECAERN CCOCCN1CCN([C@@H]2CCN(c3cnn(C)c3)C2=O)C[C@@H]1C ZINC000111228101 220116303 /nfs/dbraw/zinc/11/63/03/220116303.db2.gz GLPAUMYSCAMEAH-GOEBONIOSA-N 0 0 335.452 0.568 10 0 ECAERN CNc1cc(N2CCC[C@@H]2CNC(=O)c2cc[nH]c(=O)c2)ncn1 ZINC000133696085 205374272 /nfs/dbraw/zinc/37/42/72/205374272.db2.gz LDLROCSUASZPAO-GFCCVEGCSA-N 0 0 328.376 0.605 10 0 ECAERN C[C@@H]1CN(C(=O)Cc2csc(-c3ccccn3)n2)C[C@@H](C(N)=O)O1 ZINC000157425561 206135278 /nfs/dbraw/zinc/13/52/78/206135278.db2.gz WZUJTUKTFUUWHL-MFKMUULPSA-N 0 0 346.412 0.849 10 0 ECAERN Cn1nccc1C1CCN(C(=O)NCCCN2C(=O)CCC2=O)CC1 ZINC000159244654 206233681 /nfs/dbraw/zinc/23/36/81/206233681.db2.gz JZMOXFAVEJYRKT-UHFFFAOYSA-N 0 0 347.419 0.848 10 0 ECAERN CCS(=O)(=O)N(C)CCCNC(=O)NCCn1cc(C)cn1 ZINC000172275016 206807229 /nfs/dbraw/zinc/80/72/29/206807229.db2.gz CBAJERIYARXWEM-UHFFFAOYSA-N 0 0 331.442 0.162 10 0 ECAERN C[C@H](NC(=O)NCCS(N)(=O)=O)c1cccc(-n2ccnc2)c1 ZINC000174033601 206981517 /nfs/dbraw/zinc/98/15/17/206981517.db2.gz QHIGRSSWRPYBGA-NSHDSACASA-N 0 0 337.405 0.521 10 0 ECAERN COc1cc(CNC(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)ccn1 ZINC000175650966 207146525 /nfs/dbraw/zinc/14/65/25/207146525.db2.gz ULNQGXLSXOZCQR-ZFWWWQNUSA-N 0 0 334.420 0.952 10 0 ECAERN CN(C)C(=O)Cn1cnc(NC(=O)N2CCN3CCCC[C@H]3C2)n1 ZINC000175940014 207175098 /nfs/dbraw/zinc/17/50/98/207175098.db2.gz JZSXLIZALBBZPT-LBPRGKRZSA-N 0 0 335.412 0.068 10 0 ECAERN CN(C)C(=O)c1cc(NC(=O)NC[C@@H]2CN(C)CCO2)ccc1F ZINC000176031050 207183975 /nfs/dbraw/zinc/18/39/75/207183975.db2.gz QFQCTBQZTLJKAF-GFCCVEGCSA-N 0 0 338.383 0.980 10 0 ECAERN CCS(=O)(=O)CCNC(=O)N1CCC[C@@H]1Cn1ccnc1C ZINC000176115326 207191815 /nfs/dbraw/zinc/19/18/15/207191815.db2.gz IHDYCWIBVKWSIW-CYBMUJFWSA-N 0 0 328.438 0.800 10 0 ECAERN Cc1ccc(N2CC[C@H](NC(=O)NC[C@H]3CN(C)CCO3)C2=O)cc1 ZINC000176432614 207226447 /nfs/dbraw/zinc/22/64/47/207226447.db2.gz WYNZIIVVMUDJNQ-HOTGVXAUSA-N 0 0 346.431 0.730 10 0 ECAERN Cc1cc([C@@](C)(O)CNC(=O)NC[C@H]2CN(C)CCO2)c(C)o1 ZINC000176433215 207226733 /nfs/dbraw/zinc/22/67/33/207226733.db2.gz WEQNWOPNHARWJE-BBRMVZONSA-N 0 0 325.409 0.734 10 0 ECAERN Cc1nccn1C[C@H]1CCCN1C(=O)Cn1nc2ccccn2c1=O ZINC000177140962 207298426 /nfs/dbraw/zinc/29/84/26/207298426.db2.gz LGSZATLHRKYYJS-CQSZACIVSA-N 0 0 340.387 0.692 10 0 ECAERN O=C(CCOc1ccccc1F)NC[C@@H](O)CN1CCOCC1 ZINC000154122461 224206819 /nfs/dbraw/zinc/20/68/19/224206819.db2.gz BGQRYACNCGBTRI-CYBMUJFWSA-N 0 0 326.368 0.404 10 0 ECAERN COCCN1CCN(C(=O)c2nc3ccccc3c(=O)[nH]2)C[C@H]1C ZINC000117398278 221059742 /nfs/dbraw/zinc/05/97/42/221059742.db2.gz LIZHGMTVCBYJFR-GFCCVEGCSA-N 0 0 330.388 0.716 10 0 ECAERN CC(C)c1cccc(OCC(=O)NC[C@@H](O)CN2CCOCC2)c1 ZINC000119518813 221338534 /nfs/dbraw/zinc/33/85/34/221338534.db2.gz LPZPZMNKYLQRRV-MRXNPFEDSA-N 0 0 336.432 0.998 10 0 ECAERN COC(=O)c1ncn([C@@H]2O[C@H](COC(C)=O)[C@H]3OC(C)(C)O[C@H]32)n1 ZINC000077301475 292037020 /nfs/dbraw/zinc/03/70/20/292037020.db2.gz QEPMHZGGDGDYIX-DNRKLUKYSA-N 0 0 341.320 0.045 10 0 in-vitro ECAERN O=C(c1sccc1Br)N1CC[C@@]2(C1)NC(=O)NC2=O ZINC000084796306 164628072 /nfs/dbraw/zinc/62/80/72/164628072.db2.gz WTSPTJAWUKQSJD-NSHDSACASA-N 0 0 344.190 0.935 10 0 ECAERN COC[C@@H](C)CNC(=O)N1CCCN(Cc2noc(C)n2)CC1 ZINC000175097592 164877070 /nfs/dbraw/zinc/87/70/70/164877070.db2.gz QCOOURGSLIQZAC-LBPRGKRZSA-N 0 0 325.413 0.878 10 0 ECAERN O=C(Nc1ccc2ncccc2c1)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000177629385 164908525 /nfs/dbraw/zinc/90/85/25/164908525.db2.gz PUFHGXVCFAGXRT-ZDUSSCGKSA-N 0 0 336.355 0.896 10 0 ECAERN CCOC(=O)c1nn(C)cc1CN1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000186255964 164981770 /nfs/dbraw/zinc/98/17/70/164981770.db2.gz MAUWPJBKYOTVED-GFCCVEGCSA-N 0 0 334.380 0.597 10 0 ECAERN CCc1noc(C)c1NC(=O)C(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188015850 164993201 /nfs/dbraw/zinc/99/32/01/164993201.db2.gz LYBKRRKVBOYVDY-UHFFFAOYSA-N 0 0 334.376 0.611 10 0 ECAERN C[C@H]1C(=O)NCCCN1C(=O)c1ccc(=O)n(-c2ccccc2F)n1 ZINC000188932005 165004167 /nfs/dbraw/zinc/00/41/67/165004167.db2.gz RTVMZUJCGTVXAN-NSHDSACASA-N 0 0 344.346 0.722 10 0 ECAERN O=C(NC1CN(C(=O)[C@H]2CCCN(C(=O)N3CCCC3)C2)C1)C1CC1 ZINC000189414957 165009302 /nfs/dbraw/zinc/00/93/02/165009302.db2.gz TWIUWQLBBBUWRH-AWEZNQCLSA-N 0 0 348.447 0.651 10 0 ECAERN Cc1nc(CC2CC2)sc1C(=O)NC[C@H](O)CN1CCOCC1 ZINC000190101467 165018210 /nfs/dbraw/zinc/01/82/10/165018210.db2.gz JLEHQDSKRUVKLL-ZDUSSCGKSA-N 0 0 339.461 0.827 10 0 ECAERN Cc1ccc(C[C@@H](CO)NC(=O)N[C@@H]2CCc3ncnn3C2)cc1 ZINC000190163360 165019322 /nfs/dbraw/zinc/01/93/22/165019322.db2.gz QNNFMAKFIBJCMM-CABCVRRESA-N 0 0 329.404 0.804 10 0 ECAERN CCc1ccc(N2CCN(C(=O)[C@H]3C[C@@H](O)CN3C(C)=O)CC2)cc1 ZINC000193391476 165055023 /nfs/dbraw/zinc/05/50/23/165055023.db2.gz XXTKFACMHKNNMM-QZTJIDSGSA-N 0 0 345.443 0.879 10 0 ECAERN CN1CCO[C@@H](CNC(=O)CCCNC(=O)c2ccc(F)cc2)C1 ZINC000194602741 165067992 /nfs/dbraw/zinc/06/79/92/165067992.db2.gz GQZASLCGAPEZFS-HNNXBMFYSA-N 0 0 337.395 0.783 10 0 ECAERN Cn1c2ccccc2n(CCC(=O)NC[C@@H]2CN(C)CCO2)c1=O ZINC000194618602 165068014 /nfs/dbraw/zinc/06/80/14/165068014.db2.gz YFDFHTKOVOZONR-CYBMUJFWSA-N 0 0 332.404 0.177 10 0 ECAERN CN1CCO[C@@H](CNC(=O)CCn2cnc3sccc3c2=O)C1 ZINC000194612951 165069952 /nfs/dbraw/zinc/06/99/52/165069952.db2.gz GKQVFHYMXSJJDR-NSHDSACASA-N 0 0 336.417 0.295 10 0 ECAERN Nc1cc(CCCNC(=O)[C@@H]2CNC(=O)C2)nn1-c1ccccc1 ZINC000194866836 165071024 /nfs/dbraw/zinc/07/10/24/165071024.db2.gz DBGIDNUTXYSIAK-LBPRGKRZSA-N 0 0 327.388 0.639 10 0 ECAERN CC(C)n1nnnc1CS(=O)(=O)CC(=O)NCc1ccccc1 ZINC000195427832 165082110 /nfs/dbraw/zinc/08/21/10/165082110.db2.gz ZTJFGNQCLVYMCP-UHFFFAOYSA-N 0 0 337.405 0.485 10 0 ECAERN Nc1nc(N)nc(CN2CCCC[C@H]2c2nnc3n2CCCC3)n1 ZINC000195510450 165084755 /nfs/dbraw/zinc/08/47/55/165084755.db2.gz SXMPEQHDMBYWBI-JTQLQIEISA-N 0 0 329.412 0.691 10 0 ECAERN O=C(CN1CCCC[C@H]1c1nnc2n1CCCC2)N1CCNC(=O)C1 ZINC000195510406 165085279 /nfs/dbraw/zinc/08/52/79/165085279.db2.gz XWYHCFYLZFALKO-ZDUSSCGKSA-N 0 0 346.435 0.100 10 0 ECAERN NC(=O)[C@@H]1COCCN1C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000245722690 165114013 /nfs/dbraw/zinc/11/40/13/165114013.db2.gz DMCKKOSOPHDBEK-JQWIXIFHSA-N 0 0 349.214 0.919 10 0 ECAERN C[C@@H](NC(=O)CN1CCOC[C@H]1C(N)=O)c1ccc(Cl)cc1 ZINC000245704009 165114088 /nfs/dbraw/zinc/11/40/88/165114088.db2.gz BSQYLWRYYFOSHH-MFKMUULPSA-N 0 0 325.796 0.703 10 0 ECAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1 ZINC000245773464 165115825 /nfs/dbraw/zinc/11/58/25/165115825.db2.gz NRJIQMZYDPXVMG-IHRRRGAJSA-N 0 0 349.435 0.916 10 0 ECAERN CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)NC[C@H]1CN(C)CCO1 ZINC000246034764 165121081 /nfs/dbraw/zinc/12/10/81/165121081.db2.gz PRVMYBIQMRAPMF-JKSUJKDBSA-N 0 0 348.447 0.316 10 0 ECAERN COc1cccc([C@H](O)C(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)c1 ZINC000246605572 165139730 /nfs/dbraw/zinc/13/97/30/165139730.db2.gz GYKPDXJXBZQPGH-XKQJLSEDSA-N 0 0 334.416 0.908 10 0 ECAERN C[C@H](NC(N)=O)C(=O)NC[C@H](c1cccs1)N1CCO[C@H](C)C1 ZINC000246983474 165149645 /nfs/dbraw/zinc/14/96/45/165149645.db2.gz QKRXPFGKVCUHAC-GRYCIOLGSA-N 0 0 340.449 0.683 10 0 ECAERN Cc1ccc(N2CCCN(CC(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)nn1 ZINC000247113340 165153519 /nfs/dbraw/zinc/15/35/19/165153519.db2.gz JBWAOAMMEDIVGZ-HZPDHXFCSA-N 0 0 347.463 0.933 10 0 ECAERN COCCn1cc(NC(=O)N2CCN(C[C@H](C)O)[C@@H](C)C2)cn1 ZINC000247214565 165155439 /nfs/dbraw/zinc/15/54/39/165155439.db2.gz CNKRSWBSRAEAER-STQMWFEESA-N 0 0 325.413 0.448 10 0 ECAERN CCOCCN1CCN([C@@H](C)C(=O)NC(=O)NC(C)C)C[C@H]1C ZINC000247393782 165161058 /nfs/dbraw/zinc/16/10/58/165161058.db2.gz XKVIUXQHUHDGSF-KGLIPLIRSA-N 0 0 328.457 0.652 10 0 ECAERN CCN(CCO)CCNS(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C ZINC000248985867 165192150 /nfs/dbraw/zinc/19/21/50/165192150.db2.gz JYNHNGGAONOSQX-BBRMVZONSA-N 0 0 346.493 0.615 10 0 ECAERN COCCc1cc(NC(=O)C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)n(C)n1 ZINC000249198595 165195294 /nfs/dbraw/zinc/19/52/94/165195294.db2.gz QMOBRMQFKGZVIW-JSGCOSHPSA-N 0 0 349.435 0.243 10 0 ECAERN O=C1NCCN1[C@@H]1CCCN(c2cc(N3CCC[C@@H]3CO)ncn2)C1 ZINC000261482255 165212654 /nfs/dbraw/zinc/21/26/54/165212654.db2.gz NORXYQXSLRAEIQ-ZIAGYGMSSA-N 0 0 346.435 0.432 10 0 ECAERN CCNS(=O)(=O)c1ccc2c(c1)N(Cc1noc(CN)n1)CC2 ZINC000261787688 165243907 /nfs/dbraw/zinc/24/39/07/165243907.db2.gz PVSCCUOEGXWVDF-UHFFFAOYSA-N 0 0 337.405 0.389 10 0 ECAERN Cc1cc(C(=O)NC2CCN(C(=O)[C@H]3NCCO[C@@H]3C)CC2)c(C)o1 ZINC000262004246 165274407 /nfs/dbraw/zinc/27/44/07/165274407.db2.gz UVEGJZFHLQZIGW-CJNGLKHVSA-N 0 0 349.431 0.994 10 0 ECAERN CN[C@@H](C(=O)NCc1ccnc(-n2ccnc2)c1)c1cnn(C)c1 ZINC000262029903 165278863 /nfs/dbraw/zinc/27/88/63/165278863.db2.gz BKDSAIRNKKEWDD-OAHLLOKOSA-N 0 0 325.376 0.578 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)c2ccc(-n3cnnc3)cc2)C1 ZINC000262685454 165373643 /nfs/dbraw/zinc/37/36/43/165373643.db2.gz AGJFCXDISAPZPM-UHFFFAOYSA-N 0 0 343.387 0.935 10 0 ECAERN O=C([C@H]1CC(F)(F)CN1)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000262727634 165377407 /nfs/dbraw/zinc/37/74/07/165377407.db2.gz BFKYCPSECMQVSH-NWDGAFQWSA-N 0 0 331.363 0.081 10 0 ECAERN C[N@@H+](CC(=O)[O-])C[C@@H]1CN(C(=O)c2c(F)cccc2F)CCO1 ZINC000262773096 165384942 /nfs/dbraw/zinc/38/49/42/165384942.db2.gz BKKZGMMZABFJDD-SNVBAGLBSA-N 0 0 328.315 0.822 10 0 ECAERN C[N@@H+](CC(=O)[O-])C[C@H]1CN(C(=O)c2c(F)cccc2F)CCO1 ZINC000262773093 165385010 /nfs/dbraw/zinc/38/50/10/165385010.db2.gz BKKZGMMZABFJDD-JTQLQIEISA-N 0 0 328.315 0.822 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)N(C)C[C@@H]2CCC[C@@H]2O)C1 ZINC000263439915 165444306 /nfs/dbraw/zinc/44/43/06/165444306.db2.gz DGWUQQZQADNIDY-ABXWRUBCSA-N 0 0 327.425 0.726 10 0 ECAERN CN(C)c1ccnc(NCC2(CS(C)(=O)=O)CCOCC2)n1 ZINC000301833420 296891767 /nfs/dbraw/zinc/89/17/67/296891767.db2.gz JPFIESZADYGDAD-UHFFFAOYSA-N 0 0 328.438 0.796 10 0 ECAERN CCOCCN1CCN(C(=O)[C@H](CC)N2CCCC2=O)C[C@H]1C ZINC000173663336 263148813 /nfs/dbraw/zinc/14/88/13/263148813.db2.gz OYUINQZMSAJVEM-CABCVRRESA-N 0 0 325.453 0.957 10 0 ECAERN Cc1cnn(C[C@H]2CN(C(=O)C(=O)Nc3cnn(C)c3C)CCO2)c1 ZINC000176625346 263152571 /nfs/dbraw/zinc/15/25/71/263152571.db2.gz AYVQJRCXYXRLHF-CYBMUJFWSA-N 0 0 346.391 0.100 10 0 ECAERN CCOc1ccc(NC(=O)C(=O)N[C@@H]2CCc3ncnn3C2)cc1F ZINC000177628954 263153809 /nfs/dbraw/zinc/15/38/09/263153809.db2.gz DZIJGTJCOIOZPB-LLVKDONJSA-N 0 0 347.350 0.886 10 0 ECAERN Cc1ccc(NC(=O)C(=O)N2CCN(C[C@@H](C)O)[C@H](C)C2)cc1F ZINC000177605346 263153823 /nfs/dbraw/zinc/15/38/23/263153823.db2.gz DRTLIXCKMVFJRI-CHWSQXEVSA-N 0 0 337.395 0.986 10 0 ECAERN COc1ccc([C@@H](C)C(=O)NCC2CN(S(C)(=O)=O)C2)cc1 ZINC000187241707 263160033 /nfs/dbraw/zinc/16/00/33/263160033.db2.gz MADCANLFYPMAAL-LLVKDONJSA-N 0 0 326.418 0.806 10 0 ECAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCCOCC(F)F ZINC000188730472 263162369 /nfs/dbraw/zinc/16/23/69/263162369.db2.gz UMSCWKMVDJZIHZ-SNVBAGLBSA-N 0 0 328.381 0.589 10 0 ECAERN CC[C@@H](Nc1nnnn1-c1ccccc1)C(=O)N1CC(NC(C)=O)C1 ZINC000191496177 263165092 /nfs/dbraw/zinc/16/50/92/263165092.db2.gz RUUBSPXQTZFCBK-CQSZACIVSA-N 0 0 343.391 0.200 10 0 ECAERN Cn1ncc2c1ncn(CC(=O)N[C@@H]1COc3ccccc31)c2=O ZINC000194870951 263170206 /nfs/dbraw/zinc/17/02/06/263170206.db2.gz BPSMSFMLDGUHJX-GFCCVEGCSA-N 0 0 325.328 0.380 10 0 ECAERN CN(C)C(=O)COC[C@H]1CN(Cc2ccc(CO)o2)CC(C)(C)O1 ZINC000284462227 264215926 /nfs/dbraw/zinc/21/59/26/264215926.db2.gz FDRAOTNNHLHQHH-OAHLLOKOSA-N 0 0 340.420 0.856 10 0 ECAERN COc1cccc(C(=O)N2C[C@H](C(N)=O)[C@@H](c3cnn(C)c3)C2)c1F ZINC000284480462 264218976 /nfs/dbraw/zinc/21/89/76/264218976.db2.gz AXGNVSAHPMKCOY-OLZOCXBDSA-N 0 0 346.362 0.909 10 0 ECAERN NC(=O)[C@]1(O)CCCN(C(=O)COc2ccc(C(F)(F)F)cc2)C1 ZINC000284806963 264239540 /nfs/dbraw/zinc/23/95/40/264239540.db2.gz AYEQESRKFLNZDT-AWEZNQCLSA-N 0 0 346.305 0.923 10 0 ECAERN Cc1nn(C)c(C)c1S(=O)(=O)N[C@H]1CCO[C@@H]1c1ccnn1C ZINC000284994893 264266934 /nfs/dbraw/zinc/26/69/34/264266934.db2.gz KZOVOMLLRCXIQV-AAEUAGOBSA-N 0 0 339.421 0.579 10 0 ECAERN CN1C(=O)c2ccc(C(=O)N[C@H]3CCCn4ncnc43)cc2C1=O ZINC000177549223 276882686 /nfs/dbraw/zinc/88/26/86/276882686.db2.gz FLIJMJMXGUBRGN-LBPRGKRZSA-N 0 0 325.328 0.769 10 0 ECAERN Cc1nn2c(nc(C)cc2C)c1C(=O)N[C@H]1CCc2ncnn2C1 ZINC000112662206 279217884 /nfs/dbraw/zinc/21/78/84/279217884.db2.gz QDIHLMWTZGWKJM-LBPRGKRZSA-N 0 0 325.376 0.991 10 0 ECAERN Cc1ccc(N2CN(CC(N)=O)S(=O)(=O)c3cccnc32)cc1 ZINC000065240169 280882529 /nfs/dbraw/zinc/88/25/29/280882529.db2.gz DQYFPUDXHPAGFN-UHFFFAOYSA-N 0 0 332.385 0.975 10 0 ECAERN C[C@@H](NC(=O)Nc1ccccc1)C(=O)N1CCN(C[C@H](C)O)CC1 ZINC000189712205 437608096 /nfs/dbraw/zinc/60/80/96/437608096.db2.gz JKSGYKAEIQNYTR-UONOGXRCSA-N 0 0 334.420 0.722 10 0 ECAERN CO[C@@H](C(=O)N1CCO[C@@H](C[N@H+](C)CC(=O)[O-])C1)c1ccccc1 ZINC000262837593 293387366 /nfs/dbraw/zinc/38/73/66/293387366.db2.gz IPMVYMWARQCMIS-GOEBONIOSA-N 0 0 336.388 0.618 10 0 ECAERN Cn1c2ccccc2sc1=NC(=O)[C@H](N)CCS(C)(=O)=O ZINC000262342214 294192325 /nfs/dbraw/zinc/19/23/25/294192325.db2.gz YXAHOXZOJCLFJE-ZVNCQBAKSA-N 0 0 327.431 0.429 10 0 ECAERN Cn1cc([C@H]2CN(C(=O)c3cccc4c3OCC(=O)N4)CCO2)cn1 ZINC000333076817 297106889 /nfs/dbraw/zinc/10/68/89/297106889.db2.gz WFIBYKOHJINHKH-CQSZACIVSA-N 0 0 342.355 0.965 10 0 ECAERN CO[C@H]1C[C@@H](CO)N(C(=O)Cn2c(C)nc3ccccc3c2=O)C1 ZINC000345474803 298160025 /nfs/dbraw/zinc/16/00/25/298160025.db2.gz PDXSGQGERLBMTP-STQMWFEESA-N 0 0 331.372 0.313 10 0 ECAERN CO[C@H]1C[C@H](C(=O)N[C@H]2[C@H](C)CCC[C@@H]2C)N(S(C)(=O)=O)C1 ZINC000364827758 300392963 /nfs/dbraw/zinc/39/29/63/300392963.db2.gz BRAIFNCOSJYAOG-MEBFFEOJSA-N 0 0 332.466 0.976 10 0 ECAERN CN(C)S(=O)(=O)[C@@H]1CCCN(Cc2nnc(C3CC3)n2C)C1 ZINC000368510649 300670204 /nfs/dbraw/zinc/67/02/04/300670204.db2.gz FYDZXVQEBDKHHI-GFCCVEGCSA-N 0 0 327.454 0.548 10 0 ECAERN O=C1N[C@]2(C(=O)Nc3c2c(Cl)ccc3Cl)N2CCOC[C@@H]12 ZINC000195268991 304687291 /nfs/dbraw/zinc/68/72/91/304687291.db2.gz XVGLVENWZXIJEK-SDBXPKJASA-N 0 0 328.155 0.929 10 0 ECAERN CC(=O)N1CCC2(C[C@@H](C(=O)[O-])[N@H+](Cc3cccnc3N)C2)CC1 ZINC000072432847 436045686 /nfs/dbraw/zinc/04/56/86/436045686.db2.gz MKUVMBMHLJUINX-AWEZNQCLSA-N 0 0 332.404 0.951 10 0 ECAERN CO[C@@H]1[C@H](C)[C@@H](NC(=O)N2CCOC[C@H]2c2ncnn2C)C1(C)C ZINC000375148275 301153281 /nfs/dbraw/zinc/15/32/81/301153281.db2.gz GXXUZUJRDOCLQF-YVECIDJPSA-N 0 0 337.424 0.958 10 0 ECAERN CC(C)[C@@H](CNC(=O)[C@@H](C)NC(=O)c1ccco1)N1CCOCC1 ZINC000042027916 436294030 /nfs/dbraw/zinc/29/40/30/436294030.db2.gz SXPCMVKWWMFIKN-ZIAGYGMSSA-N 0 0 337.420 0.871 10 0 ECAERN O=C(NC[C@H]1CCCC[C@H]1O)C(=O)Nc1ccc(-n2ccnc2)nc1 ZINC000077938888 436256813 /nfs/dbraw/zinc/25/68/13/436256813.db2.gz SOBLCNOPELZQCL-TZMCWYRMSA-N 0 0 343.387 0.873 10 0 ECAERN C[C@@H](NC(=O)[C@@H]1CSC(=O)N1)c1ccc(S(N)(=O)=O)cc1 ZINC000040378483 436263931 /nfs/dbraw/zinc/26/39/31/436263931.db2.gz DXZSIVWCBACUEH-XCBNKYQSSA-N 0 0 329.403 0.336 10 0 ECAERN Cc1c(C(=O)N2CCOC[C@H]2C(N)=O)cnn1-c1ccccc1F ZINC000091779980 436460977 /nfs/dbraw/zinc/46/09/77/436460977.db2.gz PSVWXROWNOSCQN-AWEZNQCLSA-N 0 0 332.335 0.646 10 0 ECAERN NC(=O)[C@@H]1COCCN1CCCCCn1nnc(-c2ccccc2)n1 ZINC000092228622 436466071 /nfs/dbraw/zinc/46/60/71/436466071.db2.gz ULNUAIZOTMODJK-HNNXBMFYSA-N 0 0 344.419 0.697 10 0 ECAERN O=C(NC[C@H](O)CN1CCOCC1)Nc1c(F)cc(F)cc1F ZINC000092927091 436478597 /nfs/dbraw/zinc/47/85/97/436478597.db2.gz AKRFWKRUFZDLJG-JTQLQIEISA-N 0 0 333.310 0.919 10 0 ECAERN CCOC(=O)[C@H]1C(=O)CC[C@H](C(=O)OC)N1C(=O)c1ccccc1 ZINC000102199897 436551381 /nfs/dbraw/zinc/55/13/81/436551381.db2.gz XIULBHYZFMPXCG-TZMCWYRMSA-N 0 0 333.340 0.965 10 0 ECAERN CC(C)OC(=O)CCNC(=O)[C@H](Cc1ccccc1)n1cnnn1 ZINC000054461857 436553169 /nfs/dbraw/zinc/55/31/69/436553169.db2.gz LXTYSELJPROXAS-AWEZNQCLSA-N 0 0 331.376 0.915 10 0 ECAERN CCCNC(=O)[C@H](C)N1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000105894352 436584981 /nfs/dbraw/zinc/58/49/81/436584981.db2.gz SVLYPJXOKWDIAG-DLBZAZTESA-N 0 0 349.475 0.959 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)c2cccc(-n3cnnn3)c2)CC1 ZINC000106397823 436593085 /nfs/dbraw/zinc/59/30/85/436593085.db2.gz UCWOCWCGOFUVME-HNNXBMFYSA-N 0 0 330.392 0.191 10 0 ECAERN C[C@H](CNC(=O)N[C@H](C)C(=O)NCc1ccccc1)N1CCOCC1 ZINC000056758781 436595408 /nfs/dbraw/zinc/59/54/08/436595408.db2.gz ISGPXHGTTYFXCR-HUUCEWRRSA-N 0 0 348.447 0.711 10 0 ECAERN CN1CCO[C@@H](CNCc2nnc3n2c2ccccc2c(=O)n3C)C1 ZINC000112548525 436632988 /nfs/dbraw/zinc/63/29/88/436632988.db2.gz OMXGJBHDKZPADT-LBPRGKRZSA-N 0 0 342.403 0.001 10 0 ECAERN COCCN1C[C@H](C(=O)N2CCc3c(nc(C(C)C)n3C)C2)CC1=O ZINC000112667521 436633816 /nfs/dbraw/zinc/63/38/16/436633816.db2.gz YKERSIVOVCRMNN-CYBMUJFWSA-N 0 0 348.447 0.923 10 0 ECAERN CNS(=O)(=O)c1ccc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)cc1 ZINC000113227931 436636357 /nfs/dbraw/zinc/63/63/57/436636357.db2.gz ZXSBMKMGOMQULQ-TZMCWYRMSA-N 0 0 337.445 0.903 10 0 ECAERN CCC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCc3ncnn3C2)cc1 ZINC000113299171 436637426 /nfs/dbraw/zinc/63/74/26/436637426.db2.gz JZANLAUTYKKJRR-GFCCVEGCSA-N 0 0 349.416 0.920 10 0 ECAERN CC(=O)N[C@@H]1CCCN([C@@H]2CC(=O)N(Cc3ccccc3)C2=O)C1 ZINC000193808249 436654286 /nfs/dbraw/zinc/65/42/86/436654286.db2.gz HBVKXEWXKPGCFJ-HZPDHXFCSA-N 0 0 329.400 0.915 10 0 ECAERN COc1cccc(CNC(=O)NCCn2c(=O)[nH]c3cncnc32)c1 ZINC000065256892 436654399 /nfs/dbraw/zinc/65/43/99/436654399.db2.gz SCNWVLMZHDORQT-UHFFFAOYSA-N 0 0 342.359 0.628 10 0 ECAERN Cc1cnn(CCNS(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)c1 ZINC000117927282 436659569 /nfs/dbraw/zinc/65/95/69/436659569.db2.gz HRIKJPLSTNEWJM-UHFFFAOYSA-N 0 0 349.416 0.360 10 0 ECAERN COCCn1cc(NC(=O)N2CCN(CCOC)[C@H](C)C2)cn1 ZINC000117398369 436657340 /nfs/dbraw/zinc/65/73/40/436657340.db2.gz LTOCUTNDTCOPLG-CYBMUJFWSA-N 0 0 325.413 0.714 10 0 ECAERN CC[C@@H]1CN(C(=O)C(=O)Nc2cnccc2C)CCN1CCOC ZINC000117526644 436658509 /nfs/dbraw/zinc/65/85/09/436658509.db2.gz FCKOHWQOCMQZAD-CQSZACIVSA-N 0 0 334.420 0.898 10 0 ECAERN CC[C@H]1CN(C(=O)C(=O)Nc2ccc(C)nc2)CCN1C[C@@H](C)O ZINC000120601941 436693253 /nfs/dbraw/zinc/69/32/53/436693253.db2.gz QGJIJHQHXNYTTM-HIFRSBDPSA-N 0 0 334.420 0.632 10 0 ECAERN O=C(NC[C@@H](O)COc1cccc(Cl)c1Cl)[C@@H]1CNC(=O)C1 ZINC000195093539 436679110 /nfs/dbraw/zinc/67/91/10/436679110.db2.gz PXUBLAROTGZTKW-DTWKUNHWSA-N 0 0 347.198 0.985 10 0 ECAERN COc1ccc(C(=O)NCCn2cc(C)cn2)cc1-n1cnnn1 ZINC000120205187 436681207 /nfs/dbraw/zinc/68/12/07/436681207.db2.gz GYTKCNRLAPBSDR-UHFFFAOYSA-N 0 0 327.348 0.606 10 0 ECAERN CCCCOC[C@H](O)CN1CCN([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000195182911 436682351 /nfs/dbraw/zinc/68/23/51/436682351.db2.gz QUIDJTQYZCJAAG-DLBZAZTESA-N 0 0 341.496 0.793 10 0 ECAERN CNS(=O)(=O)c1cc(C(=O)N2CCO[C@H]3CCCC[C@H]32)co1 ZINC000120422446 436686332 /nfs/dbraw/zinc/68/63/32/436686332.db2.gz CHJCKIGJIGQHPI-NEPJUHHUSA-N 0 0 328.390 0.971 10 0 ECAERN CCCS(=O)(=O)CC(=O)N(C)[C@H]1CCCN(c2cccnn2)C1 ZINC000122022605 436731087 /nfs/dbraw/zinc/73/10/87/436731087.db2.gz RBTGHQYAUFDOLO-ZDUSSCGKSA-N 0 0 340.449 0.729 10 0 ECAERN CCn1cc(NC(=O)C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)ccc1=O ZINC000123310539 436740688 /nfs/dbraw/zinc/74/06/88/436740688.db2.gz ZYIOJODCKYYDTO-FZKQIMNGSA-N 0 0 347.415 0.960 10 0 ECAERN CCCC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2cc(CC)nn2C)C1 ZINC000123647258 436742124 /nfs/dbraw/zinc/74/21/24/436742124.db2.gz YRCJKLAMZJGIEP-ZDUSSCGKSA-N 0 0 349.435 0.828 10 0 ECAERN Cc1cc(N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)n2nc(C(F)(F)F)nc2n1 ZINC000153191663 436751377 /nfs/dbraw/zinc/75/13/77/436751377.db2.gz ZCMUXVVJTXELJY-VHSXEESVSA-N 0 0 342.325 0.971 10 0 ECAERN C[C@@H]1C[C@@H]1NC(=O)C(=O)Nc1cc(Br)cn(C)c1=O ZINC000124557428 436753986 /nfs/dbraw/zinc/75/39/86/436753986.db2.gz GSDKUKXKETZGFQ-SVRRBLITSA-N 0 0 328.166 0.611 10 0 ECAERN CCCCn1nccc1NC(=O)C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000153880811 436765394 /nfs/dbraw/zinc/76/53/94/436765394.db2.gz WGMFBVAGXXDAOY-CQSZACIVSA-N 0 0 349.435 0.555 10 0 ECAERN CC(C)[C@@H]1C(=O)NCCN1C(=O)N[C@H](C)c1nnc2n1CCCC2 ZINC000121385897 436715516 /nfs/dbraw/zinc/71/55/16/436715516.db2.gz PMUIBKGNXDOIEJ-DGCLKSJQSA-N 0 0 334.424 0.841 10 0 ECAERN C[C@H](CCOc1ccccc1)C(=O)NC[C@H](O)CN1CCOCC1 ZINC000128121279 436812484 /nfs/dbraw/zinc/81/24/84/436812484.db2.gz GTTQIRLSYSASEO-CVEARBPZSA-N 0 0 336.432 0.901 10 0 ECAERN Cn1cc([C@@H]2CCN([C@H]3CC(=O)N(CC(F)(F)F)C3=O)C2)cn1 ZINC000248876139 436812800 /nfs/dbraw/zinc/81/28/00/436812800.db2.gz JNHUJKBNROAJKC-KOLCDFICSA-N 0 0 330.310 0.899 10 0 ECAERN COCCCS(=O)(=O)N(C)[C@H]1CCCN(c2cccnn2)C1 ZINC000128409924 436815322 /nfs/dbraw/zinc/81/53/22/436815322.db2.gz HUABGQHUOFSLDS-ZDUSSCGKSA-N 0 0 328.438 0.744 10 0 ECAERN Cc1noc([C@H]2COCCN2C[C@H]2CCCN(S(C)(=O)=O)C2)n1 ZINC000249296700 436818615 /nfs/dbraw/zinc/81/86/15/436818615.db2.gz MPFAFWJVIUOBRU-CHWSQXEVSA-N 0 0 344.437 0.423 10 0 ECAERN O=C(Cc1ccc(OC(F)F)cc1)NC[C@@H](O)CN1CCOCC1 ZINC000154150192 436772362 /nfs/dbraw/zinc/77/23/62/436772362.db2.gz HMHIKENDRWBVEO-CYBMUJFWSA-N 0 0 344.358 0.640 10 0 ECAERN CC[C@@H]1CN(C(=O)C(=O)Nc2cnn(CC)c2)CCN1C[C@H](C)O ZINC000246477887 436780146 /nfs/dbraw/zinc/78/01/46/436780146.db2.gz QLIKRXMLBPYNID-GXTWGEPZSA-N 0 0 337.424 0.145 10 0 ECAERN NC(=O)[C@@H]1COCCN1C[C@H](O)Cc1ccccc1C(F)(F)F ZINC000246807736 436785440 /nfs/dbraw/zinc/78/54/40/436785440.db2.gz QYQNBLXYQXRKTO-YPMHNXCESA-N 0 0 332.322 0.795 10 0 ECAERN CCS(=O)(=O)NCCS(=O)(=O)N1CCC[C@H]1c1ccco1 ZINC000155174719 436791006 /nfs/dbraw/zinc/79/10/06/436791006.db2.gz MWDLDIKEJKSAGH-NSHDSACASA-N 0 0 336.435 0.686 10 0 ECAERN CCc1nccn1[C@@H]1CCCN(C(=O)C(=O)Nc2cnn(C)c2)C1 ZINC000158381725 436845949 /nfs/dbraw/zinc/84/59/49/436845949.db2.gz HTWOAOFCXDEEOC-CYBMUJFWSA-N 0 0 330.392 0.981 10 0 ECAERN CCS(=O)(=O)NCC(=O)N1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000129230677 436825840 /nfs/dbraw/zinc/82/58/40/436825840.db2.gz CHAUSTBQKCMYSP-NSHDSACASA-N 0 0 330.410 0.098 10 0 ECAERN CCOCC[N@@H+]1CCN(C(=O)N[C@@H]2CCC(=O)N(C)C2)C[C@@H]1CC ZINC000162877968 436915365 /nfs/dbraw/zinc/91/53/65/436915365.db2.gz MUOZDLJRULWLIO-CABCVRRESA-N 0 0 340.468 0.750 10 0 ECAERN Nc1c(Cl)cc(C(=O)NC[C@H](O)CN2CCOCC2)cc1Cl ZINC000135573229 436919314 /nfs/dbraw/zinc/91/93/14/436919314.db2.gz KDGQCJKKIHXTPZ-JTQLQIEISA-N 0 0 348.230 0.999 10 0 ECAERN C[C@H](CNC(=O)N1CCC(Cn2ccnn2)CC1)N1CCOCC1 ZINC000163583217 436925993 /nfs/dbraw/zinc/92/59/93/436925993.db2.gz HJDILNJFAKVIKG-CQSZACIVSA-N 0 0 336.440 0.420 10 0 ECAERN CN1CCN(c2cc(N[C@H]3CCCn4ncnc43)ncn2)CC1=O ZINC000274866665 436884088 /nfs/dbraw/zinc/88/40/88/436884088.db2.gz DVZAJSMKHAPJFI-NSHDSACASA-N 0 0 328.380 0.294 10 0 ECAERN [NH3+][C@@H](C(=O)Nc1nc(CN2CCOCC2)cs1)C1CCOCC1 ZINC000261737164 436885692 /nfs/dbraw/zinc/88/56/92/436885692.db2.gz KFFDSRZDMWETSB-CYBMUJFWSA-N 0 0 340.449 0.668 10 0 ECAERN CNC(=O)NCC(=O)NC[C@@H](c1cccs1)N1CCO[C@H](C)C1 ZINC000134444697 436898148 /nfs/dbraw/zinc/89/81/48/436898148.db2.gz HLIDQBWVNQZPPN-NEPJUHHUSA-N 0 0 340.449 0.555 10 0 ECAERN CNc1c(Cl)ncnc1N1CCN(c2ccc3nncn3n2)CC1 ZINC000136041595 436927598 /nfs/dbraw/zinc/92/75/98/436927598.db2.gz IOWXBTDTMAKYHQ-UHFFFAOYSA-N 0 0 345.798 0.936 10 0 ECAERN CN1CCO[C@@H](CNC(=O)NCCNC(=O)c2ccc(F)cc2)C1 ZINC000170924141 436962644 /nfs/dbraw/zinc/96/26/44/436962644.db2.gz CWBMPSCAKTZLKX-AWEZNQCLSA-N 0 0 338.383 0.185 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)NCc2ncccc2N(C)C)C1 ZINC000263366931 436963558 /nfs/dbraw/zinc/96/35/58/436963558.db2.gz LTELBJNHDMTZQE-UHFFFAOYSA-N 0 0 349.435 0.884 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)N2CCN(CC(F)F)CC2)C1 ZINC000263474783 436968113 /nfs/dbraw/zinc/96/81/13/436968113.db2.gz MGOZLLOLZOZWPK-UHFFFAOYSA-N 0 0 348.394 0.516 10 0 ECAERN COC[C@@H](C)CS(=O)(=O)NC1CC([N@@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263516113 436970138 /nfs/dbraw/zinc/97/01/38/436970138.db2.gz ZYGBLACLFMNVKC-LMWSTFAQSA-N 0 0 348.465 0.516 10 0 ECAERN [NH3+][C@H](Cn1cc(Br)cc(Br)c1=O)C(=O)[O-] ZINC000163969894 436929394 /nfs/dbraw/zinc/92/93/94/436929394.db2.gz ZEVVNZUDWWNHEF-ZCFIWIBFSA-N 0 0 339.971 0.785 10 0 ECAERN COC(=O)c1cc(S(=O)(=O)NCCn2cc(C)cn2)c(C)o1 ZINC000167007199 436939759 /nfs/dbraw/zinc/93/97/59/436939759.db2.gz PIOJAHDMFXKAJC-UHFFFAOYSA-N 0 0 327.362 0.858 10 0 ECAERN CC[C@@H](C)NC(=O)CCNC(=O)NC1CC([N@H+](CC)CC(=O)[O-])C1 ZINC000262915463 436945134 /nfs/dbraw/zinc/94/51/34/436945134.db2.gz FAMCQUNZIHPWQP-PNESKVBLSA-N 0 0 342.440 0.528 10 0 ECAERN Cc1ccc(-n2cnnn2)cc1NC(=O)NC[C@@H]1CN(C)CCO1 ZINC000170708064 436951713 /nfs/dbraw/zinc/95/17/13/436951713.db2.gz PPLCKUAOPSIWIT-CYBMUJFWSA-N 0 0 331.380 0.423 10 0 ECAERN Cn1cc([C@@H]2CCCN2C(=O)NCCC(=O)N2CCN(C)CC2)cn1 ZINC000170891804 436958893 /nfs/dbraw/zinc/95/88/93/436958893.db2.gz FFBDKQGGOAEUFF-HNNXBMFYSA-N 0 0 348.451 0.431 10 0 ECAERN O=C(CNC(=O)c1ccccn1)N1CCO[C@H](c2nccs2)C1 ZINC000172546429 437018842 /nfs/dbraw/zinc/01/88/42/437018842.db2.gz AERFHHUKCMYDJN-LBPRGKRZSA-N 0 0 332.385 0.868 10 0 ECAERN CCN(CC)S(=O)(=O)CC(=O)N1CCC[C@H](n2cncn2)C1 ZINC000172640464 437024258 /nfs/dbraw/zinc/02/42/58/437024258.db2.gz CZTZTNLGLOPSEN-LBPRGKRZSA-N 0 0 329.426 0.113 10 0 ECAERN O=C(Cc1cccc(F)c1)NCC(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000171661741 436985931 /nfs/dbraw/zinc/98/59/31/436985931.db2.gz AEJMUEVXLCDUIR-OAHLLOKOSA-N 0 0 345.378 0.940 10 0 ECAERN O=C(CCCCN1CCOCC1)N1CCO[C@H](Cn2cccn2)C1 ZINC000171883402 436991830 /nfs/dbraw/zinc/99/18/30/436991830.db2.gz LNPGUCLMQOZSRC-INIZCTEOSA-N 0 0 336.436 0.613 10 0 ECAERN CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)N[C@H]1CCc2ncnn2C1 ZINC000172002200 436996272 /nfs/dbraw/zinc/99/62/72/436996272.db2.gz VXECRKIHHRHMPI-CLFQDTNISA-N 0 0 349.460 0.967 10 0 ECAERN Cc1cnn(CCNC(=O)CN2C(=O)NC3(CCCCC3)C2=O)c1 ZINC000172127682 436999173 /nfs/dbraw/zinc/99/91/73/436999173.db2.gz VHZBHNVNNLEHBE-UHFFFAOYSA-N 0 0 333.392 0.562 10 0 ECAERN COCCN1CCN(C(=O)c2ccc(-n3cnnn3)cc2)C[C@@H]1C ZINC000172227620 437005134 /nfs/dbraw/zinc/00/51/34/437005134.db2.gz ZQKYGMXWEKFECY-ZDUSSCGKSA-N 0 0 330.392 0.455 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)N[C@H](C)CN1CCCC1=O)CC2 ZINC000172312983 437009167 /nfs/dbraw/zinc/00/91/67/437009167.db2.gz LEAZIGISBBAGSG-VXGBXAGGSA-N 0 0 334.424 0.465 10 0 ECAERN CCn1cc(C2CCN(C(=O)CCNS(C)(=O)=O)CC2)cn1 ZINC000172377102 437012615 /nfs/dbraw/zinc/01/26/15/437012615.db2.gz BKNWDXISQFRSIW-UHFFFAOYSA-N 0 0 328.438 0.548 10 0 ECAERN Cc1nnc([C@H]2CN(C(=O)c3cnc4n[nH]c(C)c4c3)CCO2)[nH]1 ZINC000173545406 437056857 /nfs/dbraw/zinc/05/68/57/437056857.db2.gz KMWKWEMLPWDOPA-GFCCVEGCSA-N 0 0 327.348 0.907 10 0 ECAERN Cc1ccccc1C(=O)NCC(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000173815296 437063063 /nfs/dbraw/zinc/06/30/63/437063063.db2.gz NWIRSZCXLRSBJO-DOTOQJQBSA-N 0 0 345.443 0.904 10 0 ECAERN CC(C)CCC(=O)NCC(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000173879669 437064957 /nfs/dbraw/zinc/06/49/57/437064957.db2.gz GLOYLLTZEJTIFO-CABCVRRESA-N 0 0 325.453 0.718 10 0 ECAERN O=C(Nc1c(F)cccc1F)C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000174008589 437073340 /nfs/dbraw/zinc/07/33/40/437073340.db2.gz BPNJMHODUWFYSQ-LLVKDONJSA-N 0 0 339.342 0.836 10 0 ECAERN Cc1cc(N2CCC[C@@H](NC(=O)c3ccnc(C)n3)C2=O)n(C)n1 ZINC000173067525 437037240 /nfs/dbraw/zinc/03/72/40/437037240.db2.gz RVJRJDURQMZIJC-CYBMUJFWSA-N 0 0 328.376 0.752 10 0 ECAERN CC(=O)N[C@@H]1CCCN(C(=O)NCCn2c3ccccc3[nH]c2=O)C1 ZINC000175043440 437093749 /nfs/dbraw/zinc/09/37/49/437093749.db2.gz SLIPHSRCNVUOLV-CYBMUJFWSA-N 0 0 345.403 0.640 10 0 ECAERN CC(C)Cn1cnc(S(=O)(=O)N2CC[C@H](N3CCOCC3)C2)c1 ZINC000175030620 437094473 /nfs/dbraw/zinc/09/44/73/437094473.db2.gz OGHHRFFUJLJMMB-AWEZNQCLSA-N 0 0 342.465 0.634 10 0 ECAERN CN1CCc2ncnc(N3C[C@@H](C(N)=O)[C@H](C(F)(F)F)C3)c2C1 ZINC000299741613 437107690 /nfs/dbraw/zinc/10/76/90/437107690.db2.gz GVSFHDHCLCHWKD-PSASIEDQSA-N 0 0 329.326 0.565 10 0 ECAERN CC(C)(C)c1nc(CN2CCCN(C(=O)[C@H]3CNC(=O)C3)CC2)no1 ZINC000175750468 437115631 /nfs/dbraw/zinc/11/56/31/437115631.db2.gz ZRDWEWBYSGBSHV-GFCCVEGCSA-N 0 0 349.435 0.538 10 0 ECAERN CCNC(=O)[C@@H]1CCCN(c2cnn(C)c(=O)c2Br)C1 ZINC000301223489 437116765 /nfs/dbraw/zinc/11/67/65/437116765.db2.gz DHQZDYUQSAZGSQ-SECBINFHSA-N 0 0 343.225 0.895 10 0 ECAERN Cc1nc(S(=O)(=O)N2CCOC[C@@H]2C)c(Br)n1C ZINC000286736748 437124205 /nfs/dbraw/zinc/12/42/05/437124205.db2.gz TYDCVHRAQVDLRQ-ZETCQYMHSA-N 0 0 338.227 0.900 10 0 ECAERN C[C@H]1CN(C(=O)NCCCN2CCCC2=O)C[C@H]1N1CCOCC1 ZINC000177297397 437177626 /nfs/dbraw/zinc/17/76/26/437177626.db2.gz MGMKHFGHZSFUQH-LSDHHAIUSA-N 0 0 338.452 0.361 10 0 ECAERN Cc1cnn(CCNC(=O)c2ccc([C@@]3(C)NC(=O)NC3=O)cc2)c1 ZINC000177867543 437201059 /nfs/dbraw/zinc/20/10/59/437201059.db2.gz HIVXBXKVNCSDML-QGZVFWFLSA-N 0 0 341.371 0.676 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)[C@@H]1CC(=O)N(c3cn[nH]c3)C1)CC2 ZINC000178242074 437209114 /nfs/dbraw/zinc/20/91/14/437209114.db2.gz DOBPIPQPTBVUGW-MNOVXSKESA-N 0 0 343.391 0.048 10 0 ECAERN O=C([C@@H]1CC(=O)N(c2cn[nH]c2)C1)N1CCC[C@H](Cn2cncn2)C1 ZINC000178261768 437209729 /nfs/dbraw/zinc/20/97/29/437209729.db2.gz JPQKIVULVYMXNY-QWHCGFSZSA-N 0 0 343.391 0.293 10 0 ECAERN C=CC(=O)NCCC(=O)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000178524946 437218707 /nfs/dbraw/zinc/21/87/07/437218707.db2.gz LSEIHFCRUIPBBY-INIZCTEOSA-N 0 0 331.416 0.557 10 0 ECAERN Cc1cc(S(=O)(=O)N2CC[C@](O)(c3nc(C)no3)C2)c(C)o1 ZINC000328610948 437239298 /nfs/dbraw/zinc/23/92/98/437239298.db2.gz JSBDKKQVENGYEW-CYBMUJFWSA-N 0 0 327.362 0.870 10 0 ECAERN Cc1noc([C@@H]2CC[C@H](CNS(=O)(=O)c3c[nH]c(C)n3)O2)n1 ZINC000328614879 437240349 /nfs/dbraw/zinc/24/03/49/437240349.db2.gz XDOBZIFVLKYFKJ-ZJUUUORDSA-N 0 0 327.366 0.608 10 0 ECAERN CN1CCN(S(=O)(=O)C[C@H]2CCCCO2)C[C@@H]1c1ncc[nH]1 ZINC000328617623 437240426 /nfs/dbraw/zinc/24/04/26/437240426.db2.gz CYAVVTAHLXNLMT-CHWSQXEVSA-N 0 0 328.438 0.597 10 0 ECAERN O=S(=O)(CC1CCC1)N1CC[C@@](O)(c2nc(C3CC3)no2)C1 ZINC000328612988 437240503 /nfs/dbraw/zinc/24/05/03/437240503.db2.gz QNJMHDNANNYGJM-AWEZNQCLSA-N 0 0 327.406 0.970 10 0 ECAERN Cn1cnnc1[C@H]1CN(C(=O)COCCc2ccccc2)CCO1 ZINC000328627377 437242577 /nfs/dbraw/zinc/24/25/77/437242577.db2.gz MTJOHYVIOYDNNG-OAHLLOKOSA-N 0 0 330.388 0.974 10 0 ECAERN CCn1cnnc1[C@@H]1CN(CC(=O)N2C[C@@H](C)O[C@H](C)C2)CCO1 ZINC000328642554 437247208 /nfs/dbraw/zinc/24/72/08/437247208.db2.gz RCNWPRDGWWMMAF-MCIONIFRSA-N 0 0 337.424 0.307 10 0 ECAERN Cc1cnn(C[C@H]2CN([C@@H]3CCN(C4CCOCC4)C3=O)CCO2)c1 ZINC000328667389 437248027 /nfs/dbraw/zinc/24/80/27/437248027.db2.gz KVPITVWGAVSYLI-IAGOWNOFSA-N 0 0 348.447 0.672 10 0 ECAERN Cc1nc(S(=O)(=O)N[C@H]2CCO[C@@H]2C)c(Br)n1C ZINC000287883795 437248728 /nfs/dbraw/zinc/24/87/28/437248728.db2.gz QWENKKOKAYLLGM-SVRRBLITSA-N 0 0 338.227 0.947 10 0 ECAERN OC[C@H]1C[C@H](O)CN1Cc1nnnn1-c1ccc(C(F)(F)F)cc1 ZINC000179170751 437253755 /nfs/dbraw/zinc/25/37/55/437253755.db2.gz CFXJTXFMHRPGDJ-NEPJUHHUSA-N 0 0 343.309 0.609 10 0 ECAERN NC(=O)[C@H]1COCCN1C[C@H](O)COCc1ccc(Cl)cc1 ZINC000179726394 437273753 /nfs/dbraw/zinc/27/37/53/437273753.db2.gz HSUBJILKDVSIDG-UONOGXRCSA-N 0 0 328.796 0.404 10 0 ECAERN NC(=O)[C@H]1COCCN1C(=O)CCC(=O)c1ccc(F)cc1F ZINC000180197017 437284032 /nfs/dbraw/zinc/28/40/32/437284032.db2.gz WWOOUVCCTQAYHA-GFCCVEGCSA-N 0 0 326.299 0.640 10 0 ECAERN COC(=O)[C@@H]1C[C@@H]1C(=O)Nc1cn(C)cc(Br)c1=O ZINC000180285713 437284979 /nfs/dbraw/zinc/28/49/79/437284979.db2.gz NXRZVSDYKCHEQL-NKWVEPMBSA-N 0 0 329.150 0.895 10 0 ECAERN CC(C)n1nccc1NC(=O)C(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000180258675 437285668 /nfs/dbraw/zinc/28/56/68/437285668.db2.gz NRYUXEGCVKOREP-ZIAGYGMSSA-N 0 0 349.435 0.582 10 0 ECAERN CN1CCc2ccc(NC(=O)C(=O)NC[C@H]3CN(C)CCO3)cc21 ZINC000180587947 437295351 /nfs/dbraw/zinc/29/53/51/437295351.db2.gz STMMATBMNPJGIB-AWEZNQCLSA-N 0 0 332.404 0.064 10 0 ECAERN CCCc1csc(NC(=O)NC[C@H](O)CN2CCOCC2)n1 ZINC000180642403 437295963 /nfs/dbraw/zinc/29/59/63/437295963.db2.gz DGRGPKJTDIKWMP-LBPRGKRZSA-N 0 0 328.438 0.910 10 0 ECAERN Cn1nc(C2CCCC2)cc1NC(=O)C(=O)NC[C@H]1CN(C)CCO1 ZINC000183065924 437372147 /nfs/dbraw/zinc/37/21/47/437372147.db2.gz UXLUKIRCJBVLIT-ZDUSSCGKSA-N 0 0 349.435 0.463 10 0 ECAERN C[C@H]1CN(Cc2cn(Cc3cccnc3)nn2)C[C@@H]1N1CCOCC1 ZINC000183118124 437375860 /nfs/dbraw/zinc/37/58/60/437375860.db2.gz VLBCPYUSPHRPSD-YJBOKZPZSA-N 0 0 342.447 0.874 10 0 ECAERN O=C(CN1C[C@H](O)C[C@@H]1CO)N(Cc1ccco1)CC(F)(F)F ZINC000185150422 437426239 /nfs/dbraw/zinc/42/62/39/437426239.db2.gz QJZDSBRKRHMZAK-GHMZBOCLSA-N 0 0 336.310 0.598 10 0 ECAERN CC[C@H]1CN(C(=O)NCC(=O)NCC2CC2)CC[N@@H+]1CCOC ZINC000183800166 437391311 /nfs/dbraw/zinc/39/13/11/437391311.db2.gz AMRWDDFLSUQAAN-AWEZNQCLSA-N 0 0 326.441 0.265 10 0 ECAERN CCN(CC1CC1)S(=O)(=O)N[C@@H]1CCCn2nc(COC)nc21 ZINC000183977141 437393463 /nfs/dbraw/zinc/39/34/63/437393463.db2.gz IKTMOSICDPMNGR-GFCCVEGCSA-N 0 0 343.453 0.826 10 0 ECAERN COCC(=O)NC1CN(C(=O)Cc2c[nH]c3ccc(OC)cc23)C1 ZINC000186314929 437470377 /nfs/dbraw/zinc/47/03/77/437470377.db2.gz HLHAOIUHCVEUAL-UHFFFAOYSA-N 0 0 331.372 0.692 10 0 ECAERN CN1CCO[C@@H](CNC(=O)N2CCN(c3cc(C4CC4)[nH]n3)CC2)C1 ZINC000186566310 437477840 /nfs/dbraw/zinc/47/78/40/437477840.db2.gz AYURWGFOTROYJN-AWEZNQCLSA-N 0 0 348.451 0.449 10 0 ECAERN CN1CCO[C@@H](CNC(=O)NC2CCC(O)(c3cccnc3)CC2)C1 ZINC000185678496 437447333 /nfs/dbraw/zinc/44/73/33/437447333.db2.gz SWZSFFWTKYEXBD-PQUAAJSLSA-N 0 0 348.447 0.842 10 0 ECAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)N1CCN(C)C(=O)[C@H]1C)CC2 ZINC000187192943 437495636 /nfs/dbraw/zinc/49/56/36/437495636.db2.gz VZAZOCGDZLJEII-NEPJUHHUSA-N 0 0 334.424 0.588 10 0 ECAERN C[S@](=O)c1ccc(CNC(=O)N2CC(NC(=O)C3CC3)C2)cc1 ZINC000187469670 437504240 /nfs/dbraw/zinc/50/42/40/437504240.db2.gz CDFWIGHNUJUJCV-QHCPKHFHSA-N 0 0 335.429 0.844 10 0 ECAERN CCn1nc(C)c(NC(=O)C(=O)N2CC(NC(=O)C3CCC3)C2)c1C ZINC000188020169 437522717 /nfs/dbraw/zinc/52/27/17/437522717.db2.gz USINCGKNMBDBTE-UHFFFAOYSA-N 0 0 347.419 0.585 10 0 ECAERN CN(C)C(=O)N1CCC(C(=O)N2CC(NC(=O)C3CCC3)C2)CC1 ZINC000188508730 437553607 /nfs/dbraw/zinc/55/36/07/437553607.db2.gz PTMOFLXCBVKMJW-UHFFFAOYSA-N 0 0 336.436 0.507 10 0 ECAERN C[C@@H](NC(=O)Nc1ccccc1)C(=O)N1CCN(CCO)[C@@H](C)C1 ZINC000188771469 437568343 /nfs/dbraw/zinc/56/83/43/437568343.db2.gz VPOCDQOOJIGQPS-UONOGXRCSA-N 0 0 334.420 0.722 10 0 ECAERN CCOC(=O)C1CCC(O)(C[N@@H+]2CCc3nn(C)c(=O)cc3C2)CC1 ZINC000190920058 437641005 /nfs/dbraw/zinc/64/10/05/437641005.db2.gz NCTBQYQCJOILCL-UHFFFAOYSA-N 0 0 349.431 0.623 10 0 ECAERN C[C@@H](NC(=O)NCCn1ccnc1)c1ccc(S(N)(=O)=O)cc1 ZINC000193110455 437704398 /nfs/dbraw/zinc/70/43/98/437704398.db2.gz KDPDMIXELIGUMY-LLVKDONJSA-N 0 0 337.405 0.591 10 0 ECAERN CC(=O)N1CSC[C@H]1C(=O)N1CCO[C@](C)(c2cnn(C)c2)C1 ZINC000370487365 437792805 /nfs/dbraw/zinc/79/28/05/437792805.db2.gz CKXWLZGLFOZIFX-ZFWWWQNUSA-N 0 0 338.433 0.416 10 0 ECAERN CO[C@H]1C[C@H](C(=O)N[C@H]2C[C@H](C)C[C@H](C)C2)N(S(C)(=O)=O)C1 ZINC000365531788 437927492 /nfs/dbraw/zinc/92/74/92/437927492.db2.gz DCOZKDNPZXMVRV-MQLXINIDSA-N 0 0 332.466 0.976 10 0 ECAERN CNC(=O)CC(=O)N1CCOC[C@H]1c1ncnn1-c1ccccc1 ZINC000367633574 438230424 /nfs/dbraw/zinc/23/04/24/438230424.db2.gz ILIMALJBURRECL-ZDUSSCGKSA-N 0 0 329.360 0.303 10 0 ECAERN CN1C[C@@H](CNc2ccc(I)cn2)CC1=O ZINC000596486879 438967875 /nfs/dbraw/zinc/96/78/75/438967875.db2.gz BDANZPDXMVENCS-MRVPVSSYSA-N 0 0 331.157 1.576 10 0 ECAERN Cc1nc(S(=O)(=O)N2CCOC[C@@H]2[C@H]2CCC[C@H]2O)cn1C ZINC000583616346 439487403 /nfs/dbraw/zinc/48/74/03/439487403.db2.gz HUZQCCQGKGUMJJ-JHJVBQTASA-N 0 0 329.422 0.279 10 0 ECAERN CN(Cc1ccccc1F)C(=O)CN1CCC[C@@](O)(c2cn[nH]n2)C1 ZINC000583618031 439487673 /nfs/dbraw/zinc/48/76/73/439487673.db2.gz WJRFBMSFHTVYPQ-KRWDZBQOSA-N 0 0 347.394 0.886 10 0 ECAERN CCn1ccnc(NC[C@@H]2C[C@H](F)CN2Cc2cncnc2)c1=O ZINC000583622967 439487706 /nfs/dbraw/zinc/48/77/06/439487706.db2.gz OBIHCQBBRWGROF-KBPBESRZSA-N 0 0 332.383 1.078 10 0 ECAERN CC(=O)N1C[C@H](NC(=O)CN2CCCC2=O)CC[C@@H]1C(F)(F)F ZINC000583619975 439488393 /nfs/dbraw/zinc/48/83/93/439488393.db2.gz DFSQQQGRPPIVJD-GHMZBOCLSA-N 0 0 335.326 0.667 10 0 ECAERN C[C@@H](C(=O)NCc1ccccc1)N1CCO[C@@H](c2nncn2C)C1 ZINC000583623249 439488727 /nfs/dbraw/zinc/48/87/27/439488727.db2.gz QMESZRVUHCBKHF-DZGCQCFKSA-N 0 0 329.404 0.893 10 0 ECAERN CC(C)n1cc([C@]2(O)CCN(CC(=O)NCc3ccco3)C2)nn1 ZINC000583618427 439488824 /nfs/dbraw/zinc/48/88/24/439488824.db2.gz VMZJCXWVNYIYQD-INIZCTEOSA-N 0 0 333.392 0.662 10 0 ECAERN Cn1cc(C(=O)N[C@@H]2CC[C@@H](C(F)(F)F)N(C)C2)c(=O)[nH]c1=O ZINC000583619994 439489739 /nfs/dbraw/zinc/48/97/39/439489739.db2.gz HEFRXXQOMLZXES-APPZFPTMSA-N 0 0 334.298 0.241 10 0 ECAERN COc1cc(-c2cccc(S(N)(=O)=O)c2-c2nn[nH]n2)ccn1 ZINC000584596423 439603379 /nfs/dbraw/zinc/60/33/79/439603379.db2.gz CLUQZXJQXHSHBD-UHFFFAOYSA-N 0 0 332.345 0.585 10 0 ECAERN NC(=O)c1cccc(-c2cccc(S(N)(=O)=O)c2-c2nn[nH]n2)c1 ZINC000584611667 439605312 /nfs/dbraw/zinc/60/53/12/439605312.db2.gz KXEQVZZHYOGVGA-UHFFFAOYSA-N 0 0 344.356 0.280 10 0 ECAERN COC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@H](C(N)=O)C(C)(C)C ZINC000584662110 439606075 /nfs/dbraw/zinc/60/60/75/439606075.db2.gz VIIANGAUKGEJEL-WDEREUQCSA-N 0 0 345.440 0.885 10 0 ECAERN CCOC(=O)c1ccc([C@H]2CN(S(N)(=O)=O)CCCO2)cc1 ZINC000616661017 439820729 /nfs/dbraw/zinc/82/07/29/439820729.db2.gz VLUDWXDRRYRXEO-CYBMUJFWSA-N 0 0 328.390 0.830 10 0 ECAERN CCOC(=O)c1ccc([C@H]2CCN(S(N)(=O)=O)CCO2)cc1 ZINC000616665069 439820730 /nfs/dbraw/zinc/82/07/30/439820730.db2.gz KHVNVIVSAIFGOA-CYBMUJFWSA-N 0 0 328.390 0.830 10 0 ECAERN CCCn1nccc1NC(=O)C(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000180260723 320524176 /nfs/dbraw/zinc/52/41/76/320524176.db2.gz DOJXVHKYPCSLAT-UONOGXRCSA-N 0 0 349.435 0.411 10 0 ECAERN Cc1cc(C)n(C[C@H]2CN(S(=O)(=O)N3CCC[C@H]3C)CCO2)n1 ZINC000248732814 320543482 /nfs/dbraw/zinc/54/34/82/320543482.db2.gz QHBXHSGFGPXWBI-UKRRQHHQSA-N 0 0 342.465 0.930 10 0 ECAERN C[C@H](C(=O)N1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1)N1CCOCC1 ZINC000329029799 320749143 /nfs/dbraw/zinc/74/91/43/320749143.db2.gz PFZCFATYYRXWGP-FMKPAKJESA-N 0 0 335.448 0.709 10 0 ECAERN Cn1cnc2cc(C(=O)N3CCOC[C@@H]3[C@@H]3CCC[C@@H]3O)cnc21 ZINC000329076521 320751515 /nfs/dbraw/zinc/75/15/15/320751515.db2.gz CGYVSIPHVMQWKI-CFVMTHIKSA-N 0 0 330.388 0.970 10 0 ECAERN CCc1cc(C(=O)Nc2cnn(CC(=O)N3CCN(C)CC3)c2)n[nH]1 ZINC000329082298 320752043 /nfs/dbraw/zinc/75/20/43/320752043.db2.gz DOHSEAUSZFUWNB-UHFFFAOYSA-N 0 0 345.407 0.195 10 0 ECAERN CCN1CCN(CC(=O)N2C[C@]3(CCCO3)[C@H]2C(C)C)C(=O)C1=O ZINC000329324953 320766487 /nfs/dbraw/zinc/76/64/87/320766487.db2.gz IMMOGHYIQANZCS-RHSMWYFYSA-N 0 0 337.420 0.093 10 0 ECAERN Cn1cc(N2CCN(C(=O)C[C@H]3CCCCNC3=O)CC2=O)cn1 ZINC000329512509 320776283 /nfs/dbraw/zinc/77/62/83/320776283.db2.gz CHNHMXIHBMNWJE-GFCCVEGCSA-N 0 0 333.392 0.742 10 0 ECAERN Cn1nncc1S(=O)(=O)N[C@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000330072099 320802892 /nfs/dbraw/zinc/80/28/92/320802892.db2.gz YTKGZZNZQYQBOD-LBPRGKRZSA-N 0 0 341.437 0.275 10 0 ECAERN C[C@H](C(=O)N1CCn2c(nnc2-c2cccnc2)C1)N1CCOCC1 ZINC000330244697 320812449 /nfs/dbraw/zinc/81/24/49/320812449.db2.gz KJIYEIOPEKEVTE-CYBMUJFWSA-N 0 0 342.403 0.403 10 0 ECAERN CC(C)O[C@@]1(C(=O)N2CC[C@@H](N3CCOCC3)[C@H]2C)CCOC1 ZINC000333143165 320913258 /nfs/dbraw/zinc/91/32/58/320913258.db2.gz ZGAHRJBATVCWEV-INMHGKMJSA-N 0 0 326.437 0.892 10 0 ECAERN CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)N2CCC[C@](O)(C(N)=O)C2)C1 ZINC000367574794 321693474 /nfs/dbraw/zinc/69/34/74/321693474.db2.gz XFSOOBRYTBMQKU-OGHNNQOOSA-N 0 0 339.436 0.110 10 0 ECAERN NC(=O)[C@H]1COCCN1C(=O)[C@@H](O)Cc1cccc(C(F)(F)F)c1 ZINC000187490426 534462947 /nfs/dbraw/zinc/46/29/47/534462947.db2.gz OXNMSYXAILDXFO-NEPJUHHUSA-N 0 0 346.305 0.322 10 0 ECAERN CC(=O)NC1CN(C(=O)C(=O)Nc2cccc(Cl)c2N(C)C)C1 ZINC000191344428 526704941 /nfs/dbraw/zinc/70/49/41/526704941.db2.gz FTXVWIMHWDFXAS-UHFFFAOYSA-N 0 0 338.795 0.691 10 0 ECAERN CCCCN1CCOC[C@H]1C(=O)N(C)CC(=O)Nc1cc(C)on1 ZINC000184266405 528480807 /nfs/dbraw/zinc/48/08/07/528480807.db2.gz ZGGMSECZPKLAND-ZDUSSCGKSA-N 0 0 338.408 0.881 10 0 ECAERN COc1ccc(OC)c(S(=O)(=O)N(C)C[C@H]2CN(C)CCO2)c1 ZINC000074774986 545684307 /nfs/dbraw/zinc/68/43/07/545684307.db2.gz MNUIODFESQGVNA-CYBMUJFWSA-N 0 0 344.433 0.655 10 0 ECAERN Cc1nn(C)c(C)c1CCCNC(=O)NC[C@H](C)N1CCOCC1 ZINC000091602930 545724238 /nfs/dbraw/zinc/72/42/38/545724238.db2.gz YDLZQMWEWHOPSC-ZDUSSCGKSA-N 0 0 337.468 0.989 10 0 ECAERN CN1CCO[C@H](CNC(=O)N[C@@H]2CCN(C(=O)C3CCCC3)C2)C1 ZINC000135224331 545800651 /nfs/dbraw/zinc/80/06/51/545800651.db2.gz SRDIZVFXUHYDGS-HUUCEWRRSA-N 0 0 338.452 0.407 10 0 ECAERN O=S(=O)(CC[C@@H]1CCCO1)N1CCC[C@H](Cn2cncn2)C1 ZINC000180975474 545884619 /nfs/dbraw/zinc/88/46/19/545884619.db2.gz NNMQCAMXXRFUDD-KGLIPLIRSA-N 0 0 328.438 0.889 10 0 ECAERN CCOc1cc(C)nc(N2CCN(C(=O)c3cnn(C)c3N)CC2)n1 ZINC000181210131 545886106 /nfs/dbraw/zinc/88/61/06/545886106.db2.gz MGQVRVYAGPIACD-UHFFFAOYSA-N 0 0 345.407 0.462 10 0 ECAERN CN1CCO[C@@H](CNC(=O)C(=O)Nc2cc(C(F)(F)F)ccn2)C1 ZINC000193283814 545911067 /nfs/dbraw/zinc/91/10/67/545911067.db2.gz NCMKOKSMRLLGNM-JTQLQIEISA-N 0 0 346.309 0.486 10 0 ECAERN O=C(CN1CC[C@@](O)(Cn2ccnn2)C1)NCc1ccccc1F ZINC000671552407 548181371 /nfs/dbraw/zinc/18/13/71/548181371.db2.gz LGFSKHMGWMBLHN-INIZCTEOSA-N 0 0 333.367 0.170 10 0 ECAERN C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1[C@H]1C[NH2+]C[C@@H](C(=O)[O-])C1 ZINC000675060249 564112291 /nfs/dbraw/zinc/11/22/91/564112291.db2.gz CMPIPHCAUVTXMR-FRRDWIJNSA-N 0 0 327.425 0.990 10 0 ECAERN CC(=O)N[C@@H]1CCCN(C(=O)CC[C@@H]2CC[C@H](C3OCCO3)O2)C1 ZINC000895765642 586203410 /nfs/dbraw/zinc/20/34/10/586203410.db2.gz NPUPVBMDHNTYHK-QLFBSQMISA-N 0 0 340.420 0.814 10 0 ECAERN C[C@H]1CN(C)C[C@@H](C(=O)Nc2cccnc2N2CCC(O)CC2)O1 ZINC000896145121 586223365 /nfs/dbraw/zinc/22/33/65/586223365.db2.gz YFYROJNSQKYNHF-WFASDCNBSA-N 0 0 334.420 0.700 10 0 ECAERN CO[C@@H]1CN(S(=O)(=O)c2ccc(C)cc2)C[C@H]1c1cn(C)nn1 ZINC000888076176 586245490 /nfs/dbraw/zinc/24/54/90/586245490.db2.gz DOMTZRNPMNHARB-DZGCQCFKSA-N 0 0 336.417 0.927 10 0 ECAERN Cc1noc(C[C@]2(O)CCCN(Cc3cnc4cnccn34)C2)n1 ZINC000888076259 586245507 /nfs/dbraw/zinc/24/55/07/586245507.db2.gz QDXWKOBILVGXDD-MRXNPFEDSA-N 0 0 328.376 0.990 10 0 ECAERN CC(C)Cn1ncnc1CN1CCC[C@](O)(Cc2nncn2C)C1 ZINC000888077725 586245772 /nfs/dbraw/zinc/24/57/72/586245772.db2.gz RBNBGNZBIMDIQX-INIZCTEOSA-N 0 0 333.440 0.632 10 0 ECAERN CO[C@@H]1CN(C(=O)C(F)(F)C2(O)CCCC2)C[C@H]1c1cn(C)nn1 ZINC000888078045 586246250 /nfs/dbraw/zinc/24/62/50/586246250.db2.gz GGKUJZQEZMNSIW-CMPLNLGQSA-N 0 0 344.362 0.696 10 0 ECAERN CCn1ccc(C(=O)N2CC(N3CCOC[C@@H]3c3nc(C)no3)C2)n1 ZINC000888094135 586348467 /nfs/dbraw/zinc/34/84/67/586348467.db2.gz OPKICELEWUVPEL-CQSZACIVSA-N 0 0 346.391 0.492 10 0 ECAERN Cn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2cnn3ccncc23)cn1 ZINC000888093522 586348629 /nfs/dbraw/zinc/34/86/29/586348629.db2.gz CEFUQUIIEKPSKI-GXTWGEPZSA-N 0 0 328.332 0.039 10 0 ECAERN CNC(=O)c1nc(C2CCN(C(=O)[C@H]3[C@H](C)C3(F)F)CC2)n[nH]1 ZINC000888094211 586348993 /nfs/dbraw/zinc/34/89/93/586348993.db2.gz FMGAVVJWWOBMTO-IONNQARKSA-N 0 0 327.335 0.772 10 0 ECAERN CNC(=O)[C@@H]1CC(=O)N(C2CN(C(=O)C3Cc4ccccc4C3)C2)C1 ZINC000888098084 586349751 /nfs/dbraw/zinc/34/97/51/586349751.db2.gz CSJMUSOQIGGOCZ-OAHLLOKOSA-N 0 0 341.411 0.207 10 0 ECAERN CCS(=O)(=O)NCCNC(=O)C1C[C@H]2CSC[C@@H](C1)C2=O ZINC000900171984 586528935 /nfs/dbraw/zinc/52/89/35/586528935.db2.gz SFELULWRDYPRKT-FGWVZKOKSA-N 0 0 334.463 0.000 10 0 ECAERN CCCCOC(=O)CN1CCN(c2cc(C)nc3ncnn32)CC1 ZINC000105908836 589149901 /nfs/dbraw/zinc/14/99/01/589149901.db2.gz VKUHYCQLPKZEFX-UHFFFAOYSA-N 0 0 332.408 0.898 10 0 ECAERN Cc1cnn(C[C@H]2CN(CN3C(=O)N[C@@H](CC(C)C)C3=O)CCO2)c1 ZINC000112071652 589576852 /nfs/dbraw/zinc/57/68/52/589576852.db2.gz BHSXIUUTYQOCLV-CABCVRRESA-N 0 0 349.435 0.816 10 0 ECAERN CC(C)CN1C(=O)C(=O)N(CN2CC[C@H](c3cnn(C)c3)C2)C1=O ZINC000116259496 589765814 /nfs/dbraw/zinc/76/58/14/589765814.db2.gz YFCXTYKOZKVMHE-LBPRGKRZSA-N 0 0 333.392 0.614 10 0 ECAERN Cn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2cc3cccnc3[nH]2)cn1 ZINC000862921054 589973425 /nfs/dbraw/zinc/97/34/25/589973425.db2.gz HWFUEZMEMOIESI-UONOGXRCSA-N 0 0 327.344 0.873 10 0 ECAERN Cc1nc(C(=O)N2CCN(C[C@@H](O)COc3ccccc3)CC2)no1 ZINC000123755759 590085390 /nfs/dbraw/zinc/08/53/90/590085390.db2.gz URLZPEGZAGAWBG-CQSZACIVSA-N 0 0 346.387 0.576 10 0 ECAERN Cc1nnnn1-c1ccc(F)c(NC(=O)Cn2ccc([C@@H](C)O)n2)c1 ZINC000128876035 590440587 /nfs/dbraw/zinc/44/05/87/590440587.db2.gz LXRSXMRFSZWGQK-SECBINFHSA-N 0 0 345.338 0.998 10 0 ECAERN O=C(C[C@@H]1CS(=O)(=O)CCN1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000126557506 590468099 /nfs/dbraw/zinc/46/80/99/590468099.db2.gz XEPVBBJDHVCUCL-NXEZZACHSA-N 0 0 328.356 0.564 10 0 ECAERN Cc1cnc(C(=O)NC[C@@H]2OCCN(C)[C@H]2c2ccnn2C)cn1 ZINC000886027289 590787174 /nfs/dbraw/zinc/78/71/74/590787174.db2.gz RWABZUSZPFNBCE-GJZGRUSLSA-N 0 0 330.392 0.320 10 0 ECAERN CN(C)C(=O)COC[C@@H]1CN(c2cccc(=O)n2C)CC(C)(C)O1 ZINC000886040551 590787945 /nfs/dbraw/zinc/78/79/45/590787945.db2.gz LJCBFUGXZWLVJE-ZDUSSCGKSA-N 0 0 337.420 0.474 10 0 ECAERN Cn1cnnc1C[C@@]1(O)CCCN(c2cc(NC3CC3)ncn2)C1 ZINC000886065730 590789928 /nfs/dbraw/zinc/78/99/28/590789928.db2.gz SBGKRIRBSSQVRM-INIZCTEOSA-N 0 0 329.408 0.753 10 0 ECAERN NC(=O)[C@]1(N2CCN(C(=O)c3ccoc3C3CC3)CC2)CCOC1 ZINC000886077572 590791027 /nfs/dbraw/zinc/79/10/27/590791027.db2.gz LCKUHGHPLCQKAY-KRWDZBQOSA-N 0 0 333.388 0.559 10 0 ECAERN Cc1nn(C)cc1CC(=O)NC[C@@H]1OCCN(C)[C@H]1c1ccnn1C ZINC000886079111 590791741 /nfs/dbraw/zinc/79/17/41/590791741.db2.gz JPTQCWZCCQXVDL-RDJZCZTQSA-N 0 0 346.435 0.193 10 0 ECAERN COc1nc(C)ccc1C(=O)N[C@H]1COC[C@H]1Oc1cnn(C)c1 ZINC000886084851 590792842 /nfs/dbraw/zinc/79/28/42/590792842.db2.gz LIQCQUGQMDKQOR-UONOGXRCSA-N 0 0 332.360 0.708 10 0 ECAERN Cn1cc([C@@H]2[C@@H](CNc3ccc4nncn4n3)CCC(=O)N2C)cn1 ZINC000886088692 590794078 /nfs/dbraw/zinc/79/40/78/590794078.db2.gz MYGDCCNFCCVIJY-BZNIZROVSA-N 0 0 340.391 0.879 10 0 ECAERN Cn1ccnc1[C@H]1[C@H](NCc2cnn(C)n2)CCC(=O)N1C1CC1 ZINC000886086419 590794112 /nfs/dbraw/zinc/79/41/12/590794112.db2.gz UOWNEEUFBZMUBT-UKRRQHHQSA-N 0 0 329.408 0.533 10 0 ECAERN Cn1cnnc1C[C@]1(O)CCCN(C(=O)c2cccc3cn[nH]c32)C1 ZINC000886095409 590794247 /nfs/dbraw/zinc/79/42/47/590794247.db2.gz VIKVTNCWZFLORQ-QGZVFWFLSA-N 0 0 340.387 0.901 10 0 ECAERN C[C@H](NC(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1)c1nnnn1C1CC1 ZINC000188951837 611444587 /nfs/dbraw/zinc/44/45/87/611444587.db2.gz PMVDWCTXAHODFH-MBNYWOFBSA-N 0 0 349.439 0.431 10 0 ECAERN CCCn1cc(NC(=O)C(=O)N2CCN(CCOC)[C@H](C)C2)cn1 ZINC000157169692 611445975 /nfs/dbraw/zinc/44/59/75/611445975.db2.gz JNHMSWYCQHMAGP-CYBMUJFWSA-N 0 0 337.424 0.411 10 0 ECAERN CCc1noc([C@@H](C)N2CCN(CN3C[C@H](OC)CC3=O)CC2)n1 ZINC000189130981 611498838 /nfs/dbraw/zinc/49/88/38/611498838.db2.gz ZUGVHXZRLPDKOA-CHWSQXEVSA-N 0 0 337.424 0.515 10 0 ECAERN CCCCN1CCOC[C@H]1C(=O)OCCn1cc([N+](=O)[O-])cn1 ZINC000194198203 608607445 /nfs/dbraw/zinc/60/74/45/608607445.db2.gz PCBALHRXKBDYBI-ZDUSSCGKSA-N 0 0 326.353 0.835 10 0 ECAERN O=C(CN1CCN(Cc2ccccc2)C(=O)C1=O)N1CCCCC1 ZINC000064888491 608656988 /nfs/dbraw/zinc/65/69/88/608656988.db2.gz ILUAJGBOAGNAHD-UHFFFAOYSA-N 0 0 329.400 0.870 10 0 ECAERN CCc1c[nH]nc1[C@H]1CCCN(C(=O)Cc2c[nH]c(=O)n(C)c2=O)C1 ZINC000067648843 609098239 /nfs/dbraw/zinc/09/82/39/609098239.db2.gz KODFJXBNEMQMJI-LBPRGKRZSA-N 0 0 345.403 0.308 10 0 ECAERN C[C@@H]1CN(CN2C[C@@](C)(c3ccccc3)CC2=O)C[C@H](C(N)=O)O1 ZINC000186743694 609121918 /nfs/dbraw/zinc/12/19/18/609121918.db2.gz SXPSLBJASPMYFC-SIIHOXLZSA-N 0 0 331.416 0.709 10 0 ECAERN CCS(=O)(=O)N1CCN(C(=O)c2nn3c(c2Cl)OCC3)CC1 ZINC000223838043 609714752 /nfs/dbraw/zinc/71/47/52/609714752.db2.gz SRIUUTKRFIHYMK-UHFFFAOYSA-N 0 0 348.812 0.036 10 0 ECAERN CC[C@@H](C)NC(=O)c1ccc2c(c1)n1c(=O)n(C)nc1n(C)c2=O ZINC000064588074 609722884 /nfs/dbraw/zinc/72/28/84/609722884.db2.gz KNKJNDCRYPDRRZ-SECBINFHSA-N 0 0 329.360 0.413 10 0 ECAERN Cc1nn(C)c(C)c1S(=O)(=O)N1CC[C@@H](Cc2nncn2C)C1 ZINC000169784093 609746242 /nfs/dbraw/zinc/74/62/42/609746242.db2.gz FLNBVDOGEVIZAL-LBPRGKRZSA-N 0 0 338.437 0.419 10 0 ECAERN COCCNC(=O)N1CCc2nn(Cc3ccccc3)c(=O)n2CC1 ZINC000169783175 609747041 /nfs/dbraw/zinc/74/70/41/609747041.db2.gz NNWUOTIGZOZIRZ-UHFFFAOYSA-N 0 0 345.403 0.307 10 0 ECAERN Cc1nn(C)c(C)c1CCN(C)C(=O)[C@@H]1Cn2cccc2C(=O)N1C ZINC000169791629 609747222 /nfs/dbraw/zinc/74/72/22/609747222.db2.gz KDOAONACGVJVDC-INIZCTEOSA-N 0 0 343.431 0.994 10 0 ECAERN CNC(=O)C[C@@]1(O)CCCN(C(=O)c2ccc(CO)cc2OC)C1 ZINC000911345836 609859757 /nfs/dbraw/zinc/85/97/57/609859757.db2.gz OUXYPGSEKMNPBP-KRWDZBQOSA-N 0 0 336.388 0.291 10 0 ECAERN CCn1c(=O)[nH]nc1[C@H]1CCCN(C(=O)c2cnn3cc[nH]c23)C1 ZINC000067982598 609867938 /nfs/dbraw/zinc/86/79/38/609867938.db2.gz KRGJNUAPYQZBHP-JTQLQIEISA-N 0 0 329.364 0.587 10 0 ECAERN Cc1cc(C)n(C[C@H]2CN(Cn3nc4ccccn4c3=O)CCO2)n1 ZINC000152877623 609886316 /nfs/dbraw/zinc/88/63/16/609886316.db2.gz JEFQRUKBEBYICN-OAHLLOKOSA-N 0 0 342.403 0.668 10 0 ECAERN CCS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCOC[C@@H]2CO)c1 ZINC000912420287 609957278 /nfs/dbraw/zinc/95/72/78/609957278.db2.gz CPNKZLCGOCQJNI-JTQLQIEISA-N 0 0 347.820 0.967 10 0 ECAERN C[C@@H](C(=O)N1CCOC[C@H]1CO)S(=O)(=O)c1ccc(F)cc1 ZINC000912420380 609957340 /nfs/dbraw/zinc/95/73/40/609957340.db2.gz BGLAZHUAXZTWDF-CMPLNLGQSA-N 0 0 331.365 0.208 10 0 ECAERN CN(C)[C@@H](C(=O)N1CC[C@@H](n2cc(C3CC3)nn2)C1)c1cncn1C ZINC000912942426 610022817 /nfs/dbraw/zinc/02/28/17/610022817.db2.gz YVLINFWKHPBMQP-CZUORRHYSA-N 0 0 343.435 0.965 10 0 ECAERN O=C(NC[C@]1(CO)COCCN1)[C@@H]1C[C@]12CCOc1ccccc12 ZINC000913185028 610047882 /nfs/dbraw/zinc/04/78/82/610047882.db2.gz JRLXIYXHLOYMCO-WBAXXEDZSA-N 0 0 332.400 0.194 10 0 ECAERN CCc1cc(C(=O)N2CCCN(Cc3noc(C)n3)CC2)cc(=O)[nH]1 ZINC000181752355 610160723 /nfs/dbraw/zinc/16/07/23/610160723.db2.gz VRTNXNKTRFNWAI-UHFFFAOYSA-N 0 0 345.403 0.977 10 0 ECAERN COc1cccc(C2=NO[C@H](C(=O)N[C@H]3CCc4ncnn4C3)C2)c1 ZINC000194302289 612168106 /nfs/dbraw/zinc/16/81/06/612168106.db2.gz LAKVLBVBLJBOCU-WFASDCNBSA-N 0 0 341.371 0.911 10 0 ECAERN C[C@](O)(CN1CCN(CC(=O)N2CCOCC2)CC1)c1ccccc1 ZINC000195231103 612358000 /nfs/dbraw/zinc/35/80/00/612358000.db2.gz VIHOAUOSWYLRMW-IBGZPJMESA-N 0 0 347.459 0.371 10 0 ECAERN COCCNC(=O)CN1CCN(C[C@](C)(O)c2ccccc2)CC1 ZINC000195231447 612358046 /nfs/dbraw/zinc/35/80/46/612358046.db2.gz RISQOPSHYKGPQF-SFHVURJKSA-N 0 0 335.448 0.274 10 0 ECAERN O=C1CCCN1C[C@H](O)CN1CCOC[C@H]1C[C@H](O)c1ccccc1 ZINC000246059353 612762703 /nfs/dbraw/zinc/76/27/03/612762703.db2.gz QZPJVFPQMAWDCG-KURKYZTESA-N 0 0 348.443 0.794 10 0 ECAERN [NH3+]CCc1ccc(S(=O)(=O)[N-]C(=O)N[C@H]2CC[C@H](O)CC2)cc1 ZINC000103529021 219312287 /nfs/dbraw/zinc/31/22/87/219312287.db2.gz LXXRTFLKXLWKDV-BETUJISGSA-N 0 0 341.433 0.479 10 0 in-vitro ECAERN Cn1cc([C@H]2CCN(C(=O)NCCNC(=O)c3ccn[nH]3)C2)cn1 ZINC000181675325 234279810 /nfs/dbraw/zinc/27/98/10/234279810.db2.gz WHZUTICFMGHJQX-NSHDSACASA-N 0 0 331.380 0.072 10 0 ECAERN COCC(=O)NC1CN(C(=O)c2cncc(Br)c2)C1 ZINC000185271877 235630412 /nfs/dbraw/zinc/63/04/12/235630412.db2.gz FPKKLYRTNMKOIZ-UHFFFAOYSA-N 0 0 328.166 0.431 10 0 ECAERN C[C@@H](CNC(=O)CCc1nc(-c2ccccn2)no1)N1CCOCC1 ZINC000030682922 202197941 /nfs/dbraw/zinc/19/79/41/202197941.db2.gz JUQGLBHOEYHLOX-ZDUSSCGKSA-N 0 0 345.403 0.901 10 0 ECAERN CCS(=O)(=O)NCC(=O)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000187760869 236292847 /nfs/dbraw/zinc/29/28/47/236292847.db2.gz AIGHMMABZDPTPQ-RYUDHWBXSA-N 0 0 332.447 0.222 10 0 ECAERN CNC(=O)[C@@H]1CCCCN1C(=O)Cn1nc(C)c2ccccc2c1=O ZINC000033213135 202253192 /nfs/dbraw/zinc/25/31/92/202253192.db2.gz DXFVRYZPPNVWLS-HNNXBMFYSA-N 0 0 342.399 0.832 10 0 ECAERN CCOCCO[C@@H](C)C(=O)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000105828259 201061561 /nfs/dbraw/zinc/06/15/61/201061561.db2.gz MNKFLRKTCVFACN-HNNXBMFYSA-N 0 0 338.452 0.896 10 0 ECAERN CN(C)S(=O)(=O)c1cc(C(=O)N2CCN3CCCC[C@H]3C2)co1 ZINC000123778221 201091788 /nfs/dbraw/zinc/09/17/88/201091788.db2.gz SYQLRUKDBPKRCK-ZDUSSCGKSA-N 0 0 341.433 0.840 10 0 ECAERN CS(=O)(=O)N1CCC(C(=O)N2CCO[C@H]3CCCC[C@H]32)CC1 ZINC000041117335 201090521 /nfs/dbraw/zinc/09/05/21/201090521.db2.gz XFDUYPLRQMTWRT-KGLIPLIRSA-N 0 0 330.450 0.828 10 0 ECAERN CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])C(C)(C)C)C(=O)[O-] ZINC000068711354 201163414 /nfs/dbraw/zinc/16/34/14/201163414.db2.gz SQVUEHPVMOLXQG-ZDEQEGDKSA-N 0 0 341.452 0.966 10 0 ECAERN COC(=O)[C@H]1CCCCN1C[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000267839553 201224205 /nfs/dbraw/zinc/22/42/05/201224205.db2.gz UDQPVMTWMFWRQO-SWLSCSKDSA-N 0 0 346.383 0.671 10 0 ECAERN NC(=O)[C@H]1COCCN1S(=O)(=O)Cc1ccc(Cl)c(F)c1 ZINC000192822008 239902383 /nfs/dbraw/zinc/90/23/83/239902383.db2.gz OBHKJCDDDOKUNI-LLVKDONJSA-N 0 0 336.772 0.495 10 0 ECAERN Cn1nnc(CN2CCN(Cc3cnn(-c4ccccc4)c3)CC2)n1 ZINC000193355278 240127223 /nfs/dbraw/zinc/12/72/23/240127223.db2.gz LWRMPULZGAERIU-UHFFFAOYSA-N 0 0 338.419 0.714 10 0 ECAERN Cc1ccc([C@H](C)NS(=O)(=O)CCCS(=O)(=O)N(C)C)o1 ZINC000193799146 240313023 /nfs/dbraw/zinc/31/30/23/240313023.db2.gz SWPMWPYUXXDLFK-NSHDSACASA-N 0 0 338.451 0.850 10 0 ECAERN Cc1ccnc(NC(=O)CCN2C(=O)c3ccccc3S2(=O)=O)n1 ZINC000004940671 201628319 /nfs/dbraw/zinc/62/83/19/201628319.db2.gz JCWKDCQXYMGMEY-UHFFFAOYSA-N 0 0 346.368 0.958 10 0 ECAERN O=C(Cc1ccccc1)N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCCCC1 ZINC000069438493 203000266 /nfs/dbraw/zinc/00/02/66/203000266.db2.gz RHCVILQFXHCHEA-CVEARBPZSA-N 0 0 336.457 0.997 10 0 ECAERN CNS(=O)(=O)c1ccc(NC(=O)COCC2CC2)cc1OC ZINC000069664031 203034743 /nfs/dbraw/zinc/03/47/43/203034743.db2.gz FRXCLSHTKLROMW-UHFFFAOYSA-N 0 0 328.390 0.968 10 0 ECAERN CCNC(=O)N[C@H]1CN(CC(=O)NCc2ccccc2C)C[C@@H]1OC ZINC000069902636 203061984 /nfs/dbraw/zinc/06/19/84/203061984.db2.gz TWOIWSODXCMOIC-HOTGVXAUSA-N 0 0 348.447 0.630 10 0 ECAERN CN1CCO[C@H](CNC(=O)CCN2C(=O)c3ccccc3C2=O)C1 ZINC000074773313 203293370 /nfs/dbraw/zinc/29/33/70/203293370.db2.gz JTJMXBMKJGABEW-GFCCVEGCSA-N 0 0 331.372 0.120 10 0 ECAERN COc1ccc(S(=O)(=O)NC[C@@H]2CN(C)CCO2)cc1Cl ZINC000074773659 203293634 /nfs/dbraw/zinc/29/36/34/203293634.db2.gz BMSZUMIDCGFCBI-SNVBAGLBSA-N 0 0 334.825 0.958 10 0 ECAERN Cc1nc(C)n(C[C@@H](C)C(=O)N2CCC(NS(C)(=O)=O)CC2)n1 ZINC000091624747 203642258 /nfs/dbraw/zinc/64/22/58/203642258.db2.gz OEDKACWMUDMVBX-SNVBAGLBSA-N 0 0 343.453 0.071 10 0 ECAERN NC(=O)[C@@H]1COCCN1C(=O)CCC(=O)c1ccc(F)c(F)c1 ZINC000091781369 203651732 /nfs/dbraw/zinc/65/17/32/203651732.db2.gz ZWKIQSSSPYHKRP-LBPRGKRZSA-N 0 0 326.299 0.640 10 0 ECAERN CN(Cc1ccccc1)C(=O)CNC(=O)NC[C@H]1CN(C)CCO1 ZINC000104788833 204120094 /nfs/dbraw/zinc/12/00/94/204120094.db2.gz SDDLJEOXXSLYCK-HNNXBMFYSA-N 0 0 334.420 0.275 10 0 ECAERN CN1CCO[C@H](CNC(=O)N2CCN(C(=O)c3ccco3)CC2)C1 ZINC000104797553 204122671 /nfs/dbraw/zinc/12/26/71/204122671.db2.gz YYSMOTASDYMVIB-CYBMUJFWSA-N 0 0 336.392 0.078 10 0 ECAERN Cc1ncc(CN2CCN(Cc3nc(N)nc(N(C)C)n3)CC2)s1 ZINC000106090591 204186471 /nfs/dbraw/zinc/18/64/71/204186471.db2.gz OGJOGSFHLXBIPL-UHFFFAOYSA-N 0 0 348.480 0.603 10 0 ECAERN CCCNC(=O)CN(C)C(=O)CN1CCc2c(nc(C(C)C)n2C)C1 ZINC000106371227 204192146 /nfs/dbraw/zinc/19/21/46/204192146.db2.gz RDHHWAQRXCNCFG-UHFFFAOYSA-N 0 0 349.479 0.886 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)CCNC(=O)Cc2ccccc2)CC1 ZINC000106395903 204193363 /nfs/dbraw/zinc/19/33/63/204193363.db2.gz VNFFJOVNGFTZDW-KRWDZBQOSA-N 0 0 347.459 0.651 10 0 ECAERN CCCC[C@H](NC(N)=O)C(=O)N1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000112066344 204380924 /nfs/dbraw/zinc/38/09/24/204380924.db2.gz ABFDUCSUONZVRG-KBPBESRZSA-N 0 0 337.424 0.646 10 0 ECAERN O=S(=O)(Cc1ccc(Cl)nc1)N[C@@H]1CCc2ncnn2C1 ZINC000113298772 204439310 /nfs/dbraw/zinc/43/93/10/204439310.db2.gz REAFXQWXIYSCGC-SNVBAGLBSA-N 0 0 327.797 0.761 10 0 ECAERN CNC(=O)c1ccc(S(=O)(=O)N2CC[C@H](c3cnn(C)c3)C2)cc1 ZINC000116371538 204529414 /nfs/dbraw/zinc/52/94/14/204529414.db2.gz LFIDWYFCMCJFOV-ZDUSSCGKSA-N 0 0 348.428 0.958 10 0 ECAERN O=C(Nc1ccc(Br)nc1)C(=O)N1CCC[C@H]1CO ZINC000121016065 204773632 /nfs/dbraw/zinc/77/36/32/204773632.db2.gz BMIJAZFNMNMYII-VIFPVBQESA-N 0 0 328.166 0.766 10 0 ECAERN CNc1ncc(Br)cc1C(=O)NCC(=O)NC1CC1 ZINC000050755154 204853282 /nfs/dbraw/zinc/85/32/82/204853282.db2.gz IIKBYZDRIVJYDM-UHFFFAOYSA-N 0 0 327.182 0.894 10 0 ECAERN CN1CCO[C@H](CNC(=O)NCc2cccnc2OCC(F)F)C1 ZINC000128325341 205143612 /nfs/dbraw/zinc/14/36/12/205143612.db2.gz WNTOHFAVFWPRHQ-GFCCVEGCSA-N 0 0 344.362 0.855 10 0 ECAERN Cc1cc(NC(=O)C(=O)NC[C@@H]2CN(C)CCO2)cnc1Cl ZINC000129545417 205200743 /nfs/dbraw/zinc/20/07/43/205200743.db2.gz MZCHABLZFUGSKU-LLVKDONJSA-N 0 0 326.784 0.429 10 0 ECAERN CC[C@H]1CN(C(=O)C(=O)Nc2cnn(CC)c2)CCN1CCOC ZINC000129830568 205213247 /nfs/dbraw/zinc/21/32/47/205213247.db2.gz ATCBCFVZUXDFLM-AWEZNQCLSA-N 0 0 337.424 0.411 10 0 ECAERN COc1cccc([C@@H](C)CC(=O)NC[C@@H](O)CN2CCOCC2)c1 ZINC000132446067 205325552 /nfs/dbraw/zinc/32/55/52/205325552.db2.gz NNALUIJMWPVUAQ-GOEBONIOSA-N 0 0 336.432 0.998 10 0 ECAERN Cc1nn(-c2ccccc2)cc1C(=O)NC[C@@H](O)CN1CCOCC1 ZINC000132469546 205327093 /nfs/dbraw/zinc/32/70/93/205327093.db2.gz VUKAZJMCWGRLAE-MRXNPFEDSA-N 0 0 344.415 0.604 10 0 ECAERN COc1cc(C(=O)NC[C@H](O)CN2CCOCC2)ccc1Cl ZINC000132470179 205327323 /nfs/dbraw/zinc/32/73/23/205327323.db2.gz WNRWNHUCTSTFOV-LBPRGKRZSA-N 0 0 328.796 0.772 10 0 ECAERN O=C(N[C@@H]1CCN(c2ccccn2)C1)N[C@@H]1CCc2ncnn2C1 ZINC000132991109 205351151 /nfs/dbraw/zinc/35/11/51/205351151.db2.gz CBTHSEXHPZKJQU-CHWSQXEVSA-N 0 0 327.392 0.566 10 0 ECAERN COc1ccc([C@@H](C)CC(=O)NC[C@H](O)CN2CCOCC2)cc1 ZINC000133003273 205353135 /nfs/dbraw/zinc/35/31/35/205353135.db2.gz QSRXJXANLWTRCD-HOCLYGCPSA-N 0 0 336.432 0.998 10 0 ECAERN CC[C@@H](Oc1cccc(C)c1)C(=O)NC[C@@H](O)CN1CCOCC1 ZINC000132652216 205336077 /nfs/dbraw/zinc/33/60/77/205336077.db2.gz XBNPJVNGQLVPBH-NVXWUHKLSA-N 0 0 336.432 0.962 10 0 ECAERN COCC(=O)N[C@H](C(=O)N1CCC(c2ccnn2C)CC1)C(C)C ZINC000133957224 205385691 /nfs/dbraw/zinc/38/56/91/205385691.db2.gz RXZWQABRWGIODU-INIZCTEOSA-N 0 0 336.436 0.913 10 0 ECAERN O=C(NC[C@@H](O)CN1CCOCC1)Nc1ccc(-n2cccn2)cc1 ZINC000092225821 218127127 /nfs/dbraw/zinc/12/71/27/218127127.db2.gz CUGNKFPMDKGVKW-MRXNPFEDSA-N 0 0 345.403 0.687 10 0 ECAERN NC(=O)[C@H]1COCCN1CCC(=O)Nc1ccc(Cl)cc1F ZINC000092229097 218127795 /nfs/dbraw/zinc/12/77/95/218127795.db2.gz YMYULGHSGVCPPL-GFCCVEGCSA-N 0 0 329.759 0.994 10 0 ECAERN C[C@@H](NC(=O)N(C)[C@@H]1CCCN(c2cccnn2)C1)C(=O)N(C)C ZINC000172446684 206831429 /nfs/dbraw/zinc/83/14/29/206831429.db2.gz CJTNBGVRZJNEFS-CHWSQXEVSA-N 0 0 334.424 0.564 10 0 ECAERN O=C(NCc1ccc(F)cc1)C(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000173675568 206950260 /nfs/dbraw/zinc/95/02/60/206950260.db2.gz JJDSOVFTBJTRRJ-HNNXBMFYSA-N 0 0 346.362 0.566 10 0 ECAERN CCc1csc([C@@H]2CCCN(C(=O)CS(=O)(=O)NC)C2)n1 ZINC000175211735 207104028 /nfs/dbraw/zinc/10/40/28/207104028.db2.gz SSSADUIVIIMWNW-SNVBAGLBSA-N 0 0 331.463 0.961 10 0 ECAERN O=C(CCNS(=O)(=O)c1ccccc1)N[C@@H]1CCCn2ncnc21 ZINC000175822956 207163132 /nfs/dbraw/zinc/16/31/32/207163132.db2.gz ADHAWNJXTWCYCV-CYBMUJFWSA-N 0 0 349.416 0.598 10 0 ECAERN Cn1cc(N2CCN(C(=O)N[C@H]3COc4ccccc43)CC2=O)cn1 ZINC000176464587 207230365 /nfs/dbraw/zinc/23/03/65/207230365.db2.gz NTSSQSKVESDLIV-AWEZNQCLSA-N 0 0 341.371 0.912 10 0 ECAERN CNC(=O)c1ccc(S(=O)(=O)N[C@@H]2CCCn3nc(C)nc32)cc1 ZINC000177006934 207283208 /nfs/dbraw/zinc/28/32/08/207283208.db2.gz NFZZNHOWWHALLH-CYBMUJFWSA-N 0 0 349.416 0.760 10 0 ECAERN O=C(Nc1ccc(-n2ccnc2)nc1)C(=O)N[C@H]1CCCC[C@H]1O ZINC000177177509 207301753 /nfs/dbraw/zinc/30/17/53/207301753.db2.gz YRPQXLWJAWGIFC-QWHCGFSZSA-N 0 0 329.360 0.626 10 0 ECAERN Cn1cnnc1-c1cccc(NC(=O)C(=O)N[C@H]2CCCC[C@H]2O)c1 ZINC000177189014 207303634 /nfs/dbraw/zinc/30/36/34/207303634.db2.gz FTOLZYPRVLHPFJ-UONOGXRCSA-N 0 0 343.387 0.840 10 0 ECAERN NC(=O)Cc1ccc(NC(=O)C(=O)N2CCN3CCCC[C@H]3C2)cc1 ZINC000177403150 207332019 /nfs/dbraw/zinc/33/20/19/207332019.db2.gz MAWMEYMTRUHAQX-HNNXBMFYSA-N 0 0 344.415 0.350 10 0 ECAERN O=C(CCN1C(=O)c2ccccc2C1=O)N[C@@H]1CCCn2ncnc21 ZINC000177572699 207355456 /nfs/dbraw/zinc/35/54/56/207355456.db2.gz YMUQTLSLMIUBON-CYBMUJFWSA-N 0 0 339.355 0.916 10 0 ECAERN CCC[C@@H](NC(N)=O)C(=O)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000177571608 207356897 /nfs/dbraw/zinc/35/68/97/207356897.db2.gz CLRQPDQXZILYDF-CVEARBPZSA-N 0 0 348.447 0.701 10 0 ECAERN C[C@@H](O)CN1CCN(C(=O)C(=O)Nc2c(F)cccc2F)C[C@@H]1C ZINC000177606540 207363085 /nfs/dbraw/zinc/36/30/85/207363085.db2.gz UBGGFAULBULAGV-WDEREUQCSA-N 0 0 341.358 0.817 10 0 ECAERN O=C(Nc1cc(F)c(F)cc1F)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000177627766 207365903 /nfs/dbraw/zinc/36/59/03/207365903.db2.gz DOGMDUHZRVNXPE-SSDOTTSWSA-N 0 0 339.277 0.765 10 0 ECAERN NC(=O)[C@H]1COCCN1C[C@@H](O)COc1cccc2ccccc21 ZINC000179723050 207681532 /nfs/dbraw/zinc/68/15/32/207681532.db2.gz PXODWKKPRAULDC-GDBMZVCRSA-N 0 0 330.384 0.766 10 0 ECAERN CCOCCN1CCN(S(=O)(=O)c2cn(C)c(C)n2)C[C@@H]1C ZINC000117368951 221057688 /nfs/dbraw/zinc/05/76/88/221057688.db2.gz NVNNIGDYZNNTSL-LBPRGKRZSA-N 0 0 330.454 0.460 10 0 ECAERN Cc1ccccc1C(=O)N1CC[C@H]2OCCN(S(C)(=O)=O)[C@@H]2C1 ZINC000248137322 257662973 /nfs/dbraw/zinc/66/29/73/257662973.db2.gz DEJUJIOSNXBGQG-HUUCEWRRSA-N 0 0 338.429 0.870 10 0 ECAERN CS(=O)(=O)N1CC[C@@]2(C1)C[C@H](NC(=O)c1ccncc1)CCO2 ZINC000247503693 257681766 /nfs/dbraw/zinc/68/17/66/257681766.db2.gz GHCTWJRQKGOIDP-HIFRSBDPSA-N 0 0 339.417 0.395 10 0 ECAERN COCCN1C(=O)N[C@@H]2CN(c3nc4ccccc4c(=O)[nH]3)CC[C@@H]21 ZINC000299745331 132422047 /nfs/dbraw/zinc/42/20/47/132422047.db2.gz YBPGZXUKAWQAES-KGLIPLIRSA-N 0 0 343.387 0.954 10 0 ECAERN CCN(CC)C(=O)CN1CCN(C(=O)N[C@@H](C)[C@@H]2CCCO2)CC1 ZINC000073720311 296615642 /nfs/dbraw/zinc/61/56/42/296615642.db2.gz PTMPEBKKBNWPEI-GJZGRUSLSA-N 0 0 340.468 0.750 10 0 ECAERN CCO[C@@H]1C[C@H](NC(=O)[C@H]2CN(CC)CCO2)C12CCOCC2 ZINC000248573645 286378739 /nfs/dbraw/zinc/37/87/39/286378739.db2.gz NYUGXNLKBVALKG-QLFBSQMISA-N 0 0 326.437 0.798 10 0 ECAERN NC(=O)[C@@H]1COCCN1C[C@H](O)COc1ccc2ccccc2c1 ZINC000247272011 296735671 /nfs/dbraw/zinc/73/56/71/296735671.db2.gz YDLPLUADCYVZCN-RDJZCZTQSA-N 0 0 330.384 0.766 10 0 ECAERN CNC(=O)c1cncc(/C=C\C(=O)N2CCC[C@@H](NC(C)=O)C2)c1 ZINC000255416449 296742071 /nfs/dbraw/zinc/74/20/71/296742071.db2.gz XUWKCUOGHGRAMY-IYKSTZQJSA-N 0 0 330.388 0.582 10 0 ECAERN CCc1nnc(CS(=O)(=O)CC(=O)N2C[C@H](C)C[C@H](C)C2)n1C ZINC000091049454 164640964 /nfs/dbraw/zinc/64/09/64/164640964.db2.gz PVJHFQHBANAUSU-TXEJJXNPSA-N 0 0 342.465 0.797 10 0 ECAERN C[C@@H]1CCCN(c2cc(NC[C@H](O)CN3CCOCC3)ncn2)C1 ZINC000153024576 164750398 /nfs/dbraw/zinc/75/03/98/164750398.db2.gz FARFWNBBQNLTJP-CABCVRRESA-N 0 0 335.452 0.818 10 0 ECAERN COCCN(CC(F)F)C[C@@H](O)CN1C(=O)c2ccccc2C1=O ZINC000171673725 164833746 /nfs/dbraw/zinc/83/37/46/164833746.db2.gz KLGKFEJZWVCNIC-LLVKDONJSA-N 0 0 342.342 0.857 10 0 ECAERN CCc1nnc(CN2CCCc3ccc(S(N)(=O)=O)cc32)n1C ZINC000176994605 164899773 /nfs/dbraw/zinc/89/97/73/164899773.db2.gz RCJQMNOCZDIHRG-UHFFFAOYSA-N 0 0 335.433 0.978 10 0 ECAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)NC[C@](C)(O)C(C)C ZINC000177686642 164908096 /nfs/dbraw/zinc/90/80/96/164908096.db2.gz IEBNPOVCJGJDRZ-ABAIWWIYSA-N 0 0 325.413 0.966 10 0 ECAERN CCCC(=O)NC[C@@H]1CCCN(C(=O)NCC(=O)NCC2CC2)C1 ZINC000183799759 164959139 /nfs/dbraw/zinc/95/91/39/164959139.db2.gz KPAQBNUDCJOCBQ-AWEZNQCLSA-N 0 0 338.452 0.851 10 0 ECAERN Cc1c(NC(=O)C(=O)N2C[C@@H](CO)[C@@H](c3ccsc3)C2)cnn1C ZINC000186297490 164981252 /nfs/dbraw/zinc/98/12/52/164981252.db2.gz JRSWWFGFWQFACB-QWHCGFSZSA-N 0 0 348.428 0.963 10 0 ECAERN COCCN1CCCN(C(=O)[C@@H](Cc2ccccc2)N(C)C)CC1=O ZINC000189058867 165005603 /nfs/dbraw/zinc/00/56/03/165005603.db2.gz UYZGCFRZIFWLPK-QGZVFWFLSA-N 0 0 347.459 0.867 10 0 ECAERN O=C(CNC(=O)NC1CCCCC1)N1CC(NC(=O)C2CCC2)C1 ZINC000189228458 165007365 /nfs/dbraw/zinc/00/73/65/165007365.db2.gz VSRHOXRRQCJRLC-UHFFFAOYSA-N 0 0 336.436 0.745 10 0 ECAERN CCn1c2ccccc2n(CC(=O)N2CC(NC(=O)C3CC3)C2)c1=O ZINC000189378074 165009689 /nfs/dbraw/zinc/00/96/89/165009689.db2.gz ROXCRUJTZYDLMW-UHFFFAOYSA-N 0 0 342.399 0.560 10 0 ECAERN O=C(NC1CN(C(=O)NCc2ccnc(-n3cccn3)c2)C1)C1CC1 ZINC000190171551 165019185 /nfs/dbraw/zinc/01/91/85/165019185.db2.gz FKHPBCYMNASQRT-UHFFFAOYSA-N 0 0 340.387 0.687 10 0 ECAERN CCc1cnc(NC(=O)C(=O)N2CC[C@@H](N3CCOCC3)C2)s1 ZINC000190556552 165022043 /nfs/dbraw/zinc/02/20/43/165022043.db2.gz JIXCOCGHNYWQDL-LLVKDONJSA-N 0 0 338.433 0.577 10 0 ECAERN C[C@H]1C(=O)NCCCN1C(=O)C(=O)Nc1cnc2ccccc2c1 ZINC000190668325 165024064 /nfs/dbraw/zinc/02/40/64/165024064.db2.gz IDERUWMILJDLMF-NSHDSACASA-N 0 0 326.356 0.910 10 0 ECAERN Cc1nc(NC(=O)C(=O)N2CC[C@@H](N3CCOCC3)C2)sc1C ZINC000193041314 165051066 /nfs/dbraw/zinc/05/10/66/165051066.db2.gz DSKDQQYMJPULPO-GFCCVEGCSA-N 0 0 338.433 0.632 10 0 ECAERN C[C@@H](NC(=O)Nc1ccccc1)C(=O)NCc1nc(N(C)C)no1 ZINC000193894411 165060903 /nfs/dbraw/zinc/06/09/03/165060903.db2.gz XVQNCBHAYGZPMB-SNVBAGLBSA-N 0 0 332.364 0.962 10 0 ECAERN C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NC[C@@H]1CN(C)CCO1 ZINC000194630812 165069642 /nfs/dbraw/zinc/06/96/42/165069642.db2.gz MHUYTTSISHFDLI-SMDDNHRTSA-N 0 0 339.823 0.905 10 0 ECAERN CCn1cc(CN2CCCN(S(=O)(=O)C[C@@H](C)OC)CC2)cn1 ZINC000195250492 165079768 /nfs/dbraw/zinc/07/97/68/165079768.db2.gz SUQZGZAFQRUUIX-CQSZACIVSA-N 0 0 344.481 0.775 10 0 ECAERN C[C@@H](NC(=O)CN1CC[C@H](CNc2ccccn2)C1)C(=O)N(C)C ZINC000195516003 165084523 /nfs/dbraw/zinc/08/45/23/165084523.db2.gz BBPVAIDXZPXSBW-ZIAGYGMSSA-N 0 0 333.436 0.408 10 0 ECAERN C[C@H](CNC(=O)N[C@@H](C)[C@H](C)N1CCOCC1)N1CCOCC1 ZINC000246361348 165131412 /nfs/dbraw/zinc/13/14/12/165131412.db2.gz FKDXEYCOIBJCLV-ILXRZTDVSA-N 0 0 328.457 0.116 10 0 ECAERN C[C@@H](c1nc(N)nc(N(C)C)n1)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000246431561 165136350 /nfs/dbraw/zinc/13/63/50/165136350.db2.gz LIVBOXIWGZVTLZ-FRRDWIJNSA-N 0 0 335.456 0.233 10 0 ECAERN C[C@H](NC(=O)c1ccco1)C(=O)NCCNC(=O)c1ccccc1 ZINC000248268082 165171001 /nfs/dbraw/zinc/17/10/01/165171001.db2.gz UHAJYBVXNKCVNF-LBPRGKRZSA-N 0 0 329.356 0.944 10 0 ECAERN NC(=O)[C@@H]1COCCN1C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000248572227 165177484 /nfs/dbraw/zinc/17/74/84/165177484.db2.gz ROCJTNLSYHMZTH-NWDGAFQWSA-N 0 0 347.184 0.808 10 0 ECAERN C[C@H](O)C[N@@H+]1CCN(C(=O)NCc2ccc(CO)c(F)c2)C[C@@H]1C ZINC000248587485 165182350 /nfs/dbraw/zinc/18/23/50/165182350.db2.gz GJUIFECSXQUEFP-STQMWFEESA-N 0 0 339.411 0.915 10 0 ECAERN O=C(C[C@H]1COCCN1C[C@@H](O)CN1CCCC1=O)c1ccccc1 ZINC000248694171 165183257 /nfs/dbraw/zinc/18/32/57/165183257.db2.gz JIDBYPQWZXOQSV-DLBZAZTESA-N 0 0 346.427 0.944 10 0 ECAERN CCS(=O)(=O)N[C@H](CCSC)C(=O)NC[C@H]1CCC[C@H]1O ZINC000250240084 165203820 /nfs/dbraw/zinc/20/38/20/165203820.db2.gz KVWOWXKTRYPFRK-IJLUTSLNSA-N 0 0 338.495 0.325 10 0 ECAERN CCc1nc(CN2CCN(C(=O)[C@@H]([NH3+])C3CCOCC3)CC2)no1 ZINC000261620086 165216720 /nfs/dbraw/zinc/21/67/20/165216720.db2.gz CEKMZAMUBMULJH-HNNXBMFYSA-N 0 0 337.424 0.030 10 0 ECAERN Cc1ccc(CC(=O)N2CCN(Cc3noc(CN)n3)CC2)cc1 ZINC000261686111 165226751 /nfs/dbraw/zinc/22/67/51/165226751.db2.gz IPQQRRMGUSMRBH-UHFFFAOYSA-N 0 0 329.404 0.724 10 0 ECAERN NCc1nc(CN2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)no1 ZINC000261734502 165235198 /nfs/dbraw/zinc/23/51/98/165235198.db2.gz MFCYQNXOJOKGFI-UHFFFAOYSA-N 0 0 340.387 0.968 10 0 ECAERN COc1cc(C(=O)NC[C@@H]2CCCC[C@H]2O)ccc1OCC(N)=O ZINC000262412740 165347187 /nfs/dbraw/zinc/34/71/87/165347187.db2.gz YEAMHVMZZROAHG-QWHCGFSZSA-N 0 0 336.388 0.840 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NS(=O)(=O)c2cnn(C(C)C)c2)C1 ZINC000262492897 165355237 /nfs/dbraw/zinc/35/52/37/165355237.db2.gz YDJTWJQYIYFHLV-UHFFFAOYSA-N 0 0 344.437 0.680 10 0 ECAERN C[N@@H+](CC(=O)[O-])C[C@@H]1CN(C(=O)Cn2cnc3ccccc32)CCO1 ZINC000262546582 165361800 /nfs/dbraw/zinc/36/18/00/165361800.db2.gz SCRXJYVAAKIMDG-CYBMUJFWSA-N 0 0 346.387 0.280 10 0 ECAERN C[N@@H+](CC(=O)[O-])C[C@@H]1CN(C(=O)[C@H]2CCOc3ccccc32)CCO1 ZINC000262865309 165396672 /nfs/dbraw/zinc/39/66/72/165396672.db2.gz CALYOISPTDETJS-HIFRSBDPSA-N 0 0 348.399 0.797 10 0 ECAERN C[N@@H+](CC(=O)[O-])C[C@H]1CN(C(=O)CCc2ccsc2)CCO1 ZINC000262900042 165398984 /nfs/dbraw/zinc/39/89/84/165398984.db2.gz IAFVQTLQNKFNON-ZDUSSCGKSA-N 0 0 326.418 0.925 10 0 ECAERN CS(=O)(=O)CC1(CNC2=NS(=O)(=O)c3ccccc32)CC1 ZINC000301503026 296887560 /nfs/dbraw/zinc/88/75/60/296887560.db2.gz YGHMLZTYYWQLKY-UHFFFAOYSA-N 0 0 328.415 0.550 10 0 ECAERN COc1nc(NC[C@H]2CN3CCN2CC3)nc(N2CCCCCC2)n1 ZINC000301761972 296891150 /nfs/dbraw/zinc/89/11/50/296891150.db2.gz GIJZSJLDNRTBFX-AWEZNQCLSA-N 0 0 347.467 0.672 10 0 ECAERN COc1cc2nc(NC[C@H]3CN4CCN3CC4)nc(N)c2cc1OC ZINC000301803432 296891285 /nfs/dbraw/zinc/89/12/85/296891285.db2.gz XITGBMXUOLUMDA-NSHDSACASA-N 0 0 344.419 0.641 10 0 ECAERN NC(=O)c1cc(Cl)nnc1N[C@H]1CCN(C(=O)c2ccccn2)C1 ZINC000301836604 296891907 /nfs/dbraw/zinc/89/19/07/296891907.db2.gz MCEYCAPEVMVMHB-VIFPVBQESA-N 0 0 346.778 0.951 10 0 ECAERN O=C(NCC[S@@](=O)Cc1ccccc1)N[C@H]1CCc2ncnn2C1 ZINC000120359788 221557445 /nfs/dbraw/zinc/55/74/45/221557445.db2.gz VVDYQQCXKNMGSX-BSEYFRJRSA-N 0 0 347.444 0.841 10 0 ECAERN Cc1nc(-c2cccc(C(=O)N3C[C@@H]4OCCN(C)[C@H]4C3)c2)n[nH]1 ZINC000124112667 222377747 /nfs/dbraw/zinc/37/77/47/222377747.db2.gz GUGNUQFCDHISMS-GJZGRUSLSA-N 0 0 327.388 0.935 10 0 ECAERN COc1cc(C)c(S(=O)(=O)NC[C@H]2CN(C)CCO2)c(C)c1 ZINC000074773738 263141701 /nfs/dbraw/zinc/14/17/01/263141701.db2.gz GZAIWCDBWFVCAC-AWEZNQCLSA-N 0 0 328.434 0.921 10 0 ECAERN CCOCCN1CCN(C(=O)C(=O)Nc2cnn(C)c2C)C[C@@H]1C ZINC000176631616 263153287 /nfs/dbraw/zinc/15/32/87/263153287.db2.gz ODCSVDIQHGZIFM-LBPRGKRZSA-N 0 0 337.424 0.236 10 0 ECAERN COCCN1CCN(C(=O)[C@H](C)NC(=O)Nc2ccccc2)CC1 ZINC000193170104 263166668 /nfs/dbraw/zinc/16/66/68/263166668.db2.gz KSPKJVAPMYUCMJ-AWEZNQCLSA-N 0 0 334.420 0.987 10 0 ECAERN CSCC[C@@H](NC(=O)[C@H]1CNC(=O)C1)c1nnc2ccccn21 ZINC000194781954 263169213 /nfs/dbraw/zinc/16/92/13/263169213.db2.gz SHBZWHQUNQDIQM-GHMZBOCLSA-N 0 0 333.417 0.776 10 0 ECAERN NC(=O)[C@@]1(O)CCCN(C(=O)COc2ccc(C(F)(F)F)cc2)C1 ZINC000284806966 264240096 /nfs/dbraw/zinc/24/00/96/264240096.db2.gz AYEQESRKFLNZDT-CQSZACIVSA-N 0 0 346.305 0.923 10 0 ECAERN CCOCCN1CCN(C(=O)N[C@H]2CCCn3nc(C)nc32)CC1 ZINC000175880806 273697119 /nfs/dbraw/zinc/69/71/19/273697119.db2.gz XFFWSTLHHZAAKB-AWEZNQCLSA-N 0 0 336.440 0.785 10 0 ECAERN Cn1c(=O)ccn(CC(=O)N[C@H]2CC(C)(C)Oc3ccccc32)c1=O ZINC000121695009 279304039 /nfs/dbraw/zinc/30/40/39/279304039.db2.gz VUSJANYDTNLXGL-ZDUSSCGKSA-N 0 0 343.383 0.966 10 0 ECAERN COC(=O)Cc1cccc(C(=O)N2CCN(C[C@@H](C)O)[C@@H](C)C2)c1 ZINC000189893316 437611803 /nfs/dbraw/zinc/61/18/03/437611803.db2.gz XRCQPTZTAWKYKF-UONOGXRCSA-N 0 0 334.416 0.929 10 0 ECAERN Cc1cc(N2CCC[C@H](NC(=O)c3ncccc3O)C2=O)n(C)n1 ZINC000189979014 437614244 /nfs/dbraw/zinc/61/42/44/437614244.db2.gz HUVJRKLRFULTSH-NSHDSACASA-N 0 0 329.360 0.755 10 0 ECAERN NC(=O)[C@@H]1CCCN1CC(=O)Nc1nc(CN2CCCC2)cs1 ZINC000178371417 295109290 /nfs/dbraw/zinc/10/92/90/295109290.db2.gz OLVQGQNIAIUFPN-LBPRGKRZSA-N 0 0 337.449 0.627 10 0 ECAERN O=C(c1ccccc1O)N1CCN([C@H]2CCN(C3CC3)C2=O)CC1 ZINC000333018758 297101044 /nfs/dbraw/zinc/10/10/44/297101044.db2.gz CWGLHSOAEYPATN-HNNXBMFYSA-N 0 0 329.400 0.913 10 0 ECAERN Cc1cccc2nc(CN3CCC[C@@]4(C3)NC(=O)NC4=O)cc(=O)n12 ZINC000333150009 297114116 /nfs/dbraw/zinc/11/41/16/297114116.db2.gz LQKWWNUTSCCFMD-KRWDZBQOSA-N 0 0 341.371 0.177 10 0 ECAERN CC(C)[C@@H]1N(C(=O)N[C@H]2CCc3nnnn3CC2)C[C@]12CCCO2 ZINC000333237177 297120345 /nfs/dbraw/zinc/12/03/45/297120345.db2.gz AHRAZVAYBMNASC-DUVNUKRYSA-N 0 0 334.424 0.977 10 0 ECAERN CCc1nn(C)cc1CNC(=O)N1CCS(=O)(=O)CC[C@H]1C ZINC000333490408 297137934 /nfs/dbraw/zinc/13/79/34/297137934.db2.gz UMAGHWBQNSKWGV-LLVKDONJSA-N 0 0 328.438 0.701 10 0 ECAERN CCn1cc([C@H]2OCC[C@@H]2NC(=O)N2C[C@@H](F)C[C@@H]2CO)cn1 ZINC000333708463 297148622 /nfs/dbraw/zinc/14/86/22/297148622.db2.gz LRGXRPVSLLPBNR-RFQIPJPRSA-N 0 0 326.372 0.847 10 0 ECAERN C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000004899734 298945203 /nfs/dbraw/zinc/94/52/03/298945203.db2.gz GMGWOTQMUKYZIE-UBHSHLNASA-N 0 0 333.388 0.137 10 0 ECAERN COc1cc(NC(=S)N[C@H]2CO[C@@H]3[C@H](O)CO[C@@H]32)cc(OC)c1 ZINC000003841766 435978730 /nfs/dbraw/zinc/97/87/30/435978730.db2.gz PSFRAIFRTWPTEC-REWJHTLYSA-N 0 0 340.401 0.517 10 0 ECAERN CO[C@@H]1CO[C@@H]2[C@@H](n3nnnc3-c3ccc(N(C)C)cc3)CO[C@H]12 ZINC000003841981 435978910 /nfs/dbraw/zinc/97/89/10/435978910.db2.gz QMWMISUTZWLBAG-GBJTYRQASA-N 0 0 331.376 0.760 10 0 ECAERN C[C@@H](NC(=O)C(=O)Nc1ccc(-n2cccn2)nc1)[C@@H]1CCCO1 ZINC000071066926 436004562 /nfs/dbraw/zinc/00/45/62/436004562.db2.gz SAKFHPFZTCTJSJ-YPMHNXCESA-N 0 0 329.360 0.890 10 0 ECAERN CN1C(=O)CO[C@H](C(=O)N2CCC[C@](C)(O)C2)[C@H]1c1ccccc1 ZINC000373044878 301042599 /nfs/dbraw/zinc/04/25/99/301042599.db2.gz HOYIPAXWWGJYKT-RYRKJORJSA-N 0 0 332.400 0.958 10 0 ECAERN Cc1cc(C(=O)N2CC[C@H]([NH3+])C(C)(C)C2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000262055071 301116492 /nfs/dbraw/zinc/11/64/92/301116492.db2.gz RGBKIIXLAOXUDB-JTQLQIEISA-N 0 0 331.376 0.944 10 0 ECAERN CO[C@@H]1[C@H](C)[C@@H](NC(=O)N2CCOC[C@@H]2c2ncnn2C)C1(C)C ZINC000375148272 301153126 /nfs/dbraw/zinc/15/31/26/301153126.db2.gz GXXUZUJRDOCLQF-FDYHWXHSSA-N 0 0 337.424 0.958 10 0 ECAERN NC(=O)[C@]1(O)CCCN(C(=O)[C@H]2COc3ccc(Cl)cc3C2)C1 ZINC000375675274 301197038 /nfs/dbraw/zinc/19/70/38/301197038.db2.gz LKHMRXLCHUMMGR-BZNIZROVSA-N 0 0 338.791 0.730 10 0 ECAERN CC(C)(C)C(=O)N1CCC[C@H](C(=O)N2CCC[C@@](O)(C(N)=O)C2)C1 ZINC000375776432 301208155 /nfs/dbraw/zinc/20/81/55/301208155.db2.gz QVYCWSKXHDUWQX-SJCJKPOMSA-N 0 0 339.436 0.110 10 0 ECAERN Cc1cc(N2CCC[C@@H](N[C@@H](C)CS(C)(=O)=O)C2=O)n(C)n1 ZINC000182334095 301335391 /nfs/dbraw/zinc/33/53/91/301335391.db2.gz UIRYVVNRVCNTSS-NWDGAFQWSA-N 0 0 328.438 0.247 10 0 ECAERN CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000377473301 301352640 /nfs/dbraw/zinc/35/26/40/301352640.db2.gz DCDMODVCKZQQLC-MELADBBJSA-N 0 0 346.449 0.902 10 0 ECAERN CC(C)C(=O)NCCNC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O ZINC000028212374 436188255 /nfs/dbraw/zinc/18/82/55/436188255.db2.gz PNMWDDXGVMSDIQ-NSHDSACASA-N 0 0 331.372 0.560 10 0 ECAERN C[C@H](C(=O)N[C@@H]1CCCC[C@H]1CO)N1C(=O)NC2(CCCC2)C1=O ZINC000378296622 301427645 /nfs/dbraw/zinc/42/76/45/301427645.db2.gz VMSGYUGGBAISDK-FRRDWIJNSA-N 0 0 337.420 0.907 10 0 ECAERN CCOC(=O)CCCNC(=O)[C@H](Cc1ccccc1)n1cnnn1 ZINC000029965490 436211465 /nfs/dbraw/zinc/21/14/65/436211465.db2.gz VMJQXSAELNEDKS-AWEZNQCLSA-N 0 0 331.376 0.916 10 0 ECAERN CC(C)[C@H](CNC(=O)[C@@H](C)NC(=O)c1ccco1)N1CCOCC1 ZINC000042027919 436293763 /nfs/dbraw/zinc/29/37/63/436293763.db2.gz SXPCMVKWWMFIKN-KGLIPLIRSA-N 0 0 337.420 0.871 10 0 ECAERN Cc1nc2ccc(NC(=O)C(=O)NC[C@H](C)N3CCOCC3)cc2o1 ZINC000077849407 436256480 /nfs/dbraw/zinc/25/64/80/436256480.db2.gz QEFHORRWBPHLNI-NSHDSACASA-N 0 0 346.387 0.912 10 0 ECAERN CN1CCN(C(=O)CCNC(=O)N[C@H]2CCOc3ccccc32)CC1 ZINC000043165385 436328025 /nfs/dbraw/zinc/32/80/25/436328025.db2.gz GKVSIPIWXADIDY-HNNXBMFYSA-N 0 0 346.431 0.974 10 0 ECAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)NC[C@H](O)COCC(C)C ZINC000083750075 436377465 /nfs/dbraw/zinc/37/74/65/436377465.db2.gz GSMKBUDLVWJJLW-STQMWFEESA-N 0 0 325.413 0.754 10 0 ECAERN CC[C@@H](C)NC(=O)CN1CCN(C[C@H](O)COC(C)(C)C)CC1 ZINC000046054405 436384869 /nfs/dbraw/zinc/38/48/69/436384869.db2.gz YETVLVJXTHPHEI-CABCVRRESA-N 0 0 329.485 0.695 10 0 ECAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)CSc1nnnn1C1CC1 ZINC000088196683 436399357 /nfs/dbraw/zinc/39/93/57/436399357.db2.gz LYDJFMGMRTWXQV-SNVBAGLBSA-N 0 0 348.436 0.905 10 0 ECAERN Cc1ccc([C@H](C)NC(=O)CNS(=O)(=O)c2cnn(C)c2)o1 ZINC000047073097 436410730 /nfs/dbraw/zinc/41/07/30/436410730.db2.gz FRICEVSUBVWSAV-JTQLQIEISA-N 0 0 326.378 0.477 10 0 ECAERN Cc1nn(CCNC(=O)C2CCN(CC(N)=O)CC2)c(C)c1Cl ZINC000091255793 436448437 /nfs/dbraw/zinc/44/84/37/436448437.db2.gz QMIMMWINAKNMDB-UHFFFAOYSA-N 0 0 341.843 0.467 10 0 ECAERN NC(=O)[C@@H]1COCCN1C(=O)COc1ccccc1Br ZINC000091781284 436460686 /nfs/dbraw/zinc/46/06/86/436460686.db2.gz VBPKIPBCLFZDQY-JTQLQIEISA-N 0 0 343.177 0.541 10 0 ECAERN CCCC(=O)N[C@@H]1CCCN(C(=O)NC[C@H](C)N2CCOCC2)C1 ZINC000101786253 436549982 /nfs/dbraw/zinc/54/99/82/436549982.db2.gz ZDPQSAIMVGGSQZ-LSDHHAIUSA-N 0 0 340.468 0.797 10 0 ECAERN CCOc1cc(C)nc(N2CCN(C(=O)CCn3cncn3)CC2)n1 ZINC000105820229 436579553 /nfs/dbraw/zinc/57/95/53/436579553.db2.gz CGMIWELPSTYTEM-UHFFFAOYSA-N 0 0 345.407 0.514 10 0 ECAERN COC(=O)C1CCN(C(=O)[C@@H](Cc2ccccc2)n2cnnn2)CC1 ZINC000054457946 436552487 /nfs/dbraw/zinc/55/24/87/436552487.db2.gz JJJYQXMPHKZLLM-OAHLLOKOSA-N 0 0 343.387 0.869 10 0 ECAERN Cc1nnc(CN2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)n1C ZINC000103491583 436556172 /nfs/dbraw/zinc/55/61/72/436556172.db2.gz VFPQRMVMEXYMRS-ZDUSSCGKSA-N 0 0 334.468 0.688 10 0 ECAERN COc1cccc(N2CCN(C(=O)NC[C@H]3CN(C)CCO3)CC2)c1 ZINC000104799643 436563249 /nfs/dbraw/zinc/56/32/49/436563249.db2.gz MTGUFMHFWLXIBR-KRWDZBQOSA-N 0 0 348.447 0.857 10 0 ECAERN C[C@@H](C(=O)NC1CC1)N1CCN(C[C@@H](O)COC(C)(C)C)CC1 ZINC000054994740 436563925 /nfs/dbraw/zinc/56/39/25/436563925.db2.gz RBTZFYDONUCMPB-DZGCQCFKSA-N 0 0 327.469 0.447 10 0 ECAERN C[C@@H](NC(=O)NC[C@@H]1CN(C)CCO1)c1ccc2c(c1)CC(=O)N2 ZINC000104790844 436564373 /nfs/dbraw/zinc/56/43/73/436564373.db2.gz GRHJGZDDIVMUJW-BXUZGUMPSA-N 0 0 332.404 0.872 10 0 ECAERN C[C@H](C(=O)N1CCCC1)N1CCN(C[C@H](O)COC(C)(C)C)CC1 ZINC000105921894 436586075 /nfs/dbraw/zinc/58/60/75/436586075.db2.gz ZYOZMZWVSMMQFM-CVEARBPZSA-N 0 0 341.496 0.791 10 0 ECAERN CCCCCNC(=O)CN1CCN(c2cc(C)nc3ncnn32)CC1 ZINC000105908853 436587516 /nfs/dbraw/zinc/58/75/16/436587516.db2.gz OPLUUDCLOGMJFG-UHFFFAOYSA-N 0 0 345.451 0.861 10 0 ECAERN COc1cc2nc(C)n([C@H]3CCC(=O)NC3=O)c(=O)c2cc1OC ZINC000059191399 436631939 /nfs/dbraw/zinc/63/19/39/436631939.db2.gz BJJPMDJZCMOFPZ-NSHDSACASA-N 0 0 331.328 0.700 10 0 ECAERN CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000112728947 436633810 /nfs/dbraw/zinc/63/38/10/436633810.db2.gz GZYUSHJVQCFHLQ-CVEARBPZSA-N 0 0 339.399 0.683 10 0 ECAERN NC(=O)c1cnc(Nc2ccc(-n3cnnn3)cc2)nc1NC1CC1 ZINC000114483389 436641856 /nfs/dbraw/zinc/64/18/56/436641856.db2.gz RFJOCHLDMCMRML-UHFFFAOYSA-N 0 0 337.347 0.869 10 0 ECAERN CN1CCO[C@H](CNC(=O)N[C@@H]2CCCN(c3ccccc3)C2=O)C1 ZINC000114526755 436642471 /nfs/dbraw/zinc/64/24/71/436642471.db2.gz LHQYDJZCGOADQT-HZPDHXFCSA-N 0 0 346.431 0.812 10 0 ECAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)C1=NN(CCO)C(=O)CC1 ZINC000136957275 436653949 /nfs/dbraw/zinc/65/39/49/436653949.db2.gz GAXWZCUWKAYIQQ-CQSZACIVSA-N 0 0 347.419 0.671 10 0 ECAERN COC(=O)c1c(OCc2ccccc2)c(=O)ccn1C[C@H](O)CO ZINC000115956917 436648160 /nfs/dbraw/zinc/64/81/60/436648160.db2.gz JUVSRACZYLMJQD-ZDUSSCGKSA-N 0 0 333.340 0.567 10 0 ECAERN Cn1cc([C@H]2CCN(S(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)C2)cn1 ZINC000116371518 436650048 /nfs/dbraw/zinc/65/00/48/436650048.db2.gz FXKFVAUPLFSROO-JTQLQIEISA-N 0 0 347.400 0.768 10 0 ECAERN Cn1ccnc1CN1CCn2nc(C(=O)N3CCN(C)CC3)cc2C1 ZINC000065408331 436659723 /nfs/dbraw/zinc/65/97/23/436659723.db2.gz WEIVIXVIUZGKMQ-UHFFFAOYSA-N 0 0 343.435 0.020 10 0 ECAERN COCCN1CCN(C(=O)c2ccc(CNC(N)=O)cc2)C[C@@H]1C ZINC000117287928 436655075 /nfs/dbraw/zinc/65/50/75/436655075.db2.gz LJEXYGUBNAVDJA-ZDUSSCGKSA-N 0 0 334.420 0.648 10 0 ECAERN COCCN1CCN(C(=O)Nc2cccnc2-n2cncn2)C[C@@H]1C ZINC000117452171 436658545 /nfs/dbraw/zinc/65/85/45/436658545.db2.gz NPKJIEANRCUASD-ZDUSSCGKSA-N 0 0 345.407 0.847 10 0 ECAERN COc1ccccc1S(=O)(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C(=O)[O-])C1 ZINC000065425572 436659013 /nfs/dbraw/zinc/65/90/13/436659013.db2.gz FMCKOLYURAAOMT-NHYWBVRUSA-N 0 0 340.401 0.332 10 0 ECAERN O=C(CCOc1ccc(Cl)cc1)NC[C@@H](O)CN1CCOCC1 ZINC000120411334 436686632 /nfs/dbraw/zinc/68/66/32/436686632.db2.gz YBFFKRZUKMKSOB-CQSZACIVSA-N 0 0 342.823 0.918 10 0 ECAERN CC(=O)N1CSC[C@@H]1C(=O)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000150711939 436687813 /nfs/dbraw/zinc/68/78/13/436687813.db2.gz RTIAMCNGLAYAOW-NWDGAFQWSA-N 0 0 337.449 0.754 10 0 ECAERN COC(=O)[C@H]1C[C@@H]1C(=O)N1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000150857613 436692912 /nfs/dbraw/zinc/69/29/12/436692912.db2.gz MFMQZCWRPKZTRB-KBPBESRZSA-N 0 0 334.347 0.806 10 0 ECAERN O=S(=O)(c1ccc(Cl)cc1)N1CCNC[C@@H]1CCOCCO ZINC000220603917 436699262 /nfs/dbraw/zinc/69/92/62/436699262.db2.gz MQEPAFOZWHDTPR-ZDUSSCGKSA-N 0 0 348.852 0.702 10 0 ECAERN CN1CCO[C@H](CNC(=O)c2cc(S(C)(=O)=O)ccc2Cl)C1 ZINC000151425299 436703473 /nfs/dbraw/zinc/70/34/73/436703473.db2.gz WEPAKGIUPURUPA-SNVBAGLBSA-N 0 0 346.836 0.804 10 0 ECAERN CCC(=O)N1CC[C@H](NC(=O)N2CCN(CCOC)[C@H](C)C2)C1 ZINC000151709167 436709412 /nfs/dbraw/zinc/70/94/12/436709412.db2.gz XQZFADAYIBEXQT-KGLIPLIRSA-N 0 0 326.441 0.359 10 0 ECAERN CN1Cc2ccc(NC(=O)C(=O)NC[C@H]3CN(C)CCO3)cc2C1 ZINC000118115864 436661164 /nfs/dbraw/zinc/66/11/64/436661164.db2.gz WHENOVONMMZDEG-HNNXBMFYSA-N 0 0 332.404 0.017 10 0 ECAERN Cc1cnn(CCNC(=O)C(=O)Nc2cccnc2-n2cccn2)c1 ZINC000118133846 436661855 /nfs/dbraw/zinc/66/18/55/436661855.db2.gz FPMMKSKKDCIRMQ-UHFFFAOYSA-N 0 0 339.359 0.527 10 0 ECAERN CC[N@@H+]1CCC[C@H](NC(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000194311487 436662757 /nfs/dbraw/zinc/66/27/57/436662757.db2.gz AORVVIBQAIBYML-LBPRGKRZSA-N 0 0 326.422 0.940 10 0 ECAERN COC(=O)c1ccc2nc(-n3ccnc3)nc(N3CCOCC3)c2n1 ZINC000139092007 436663339 /nfs/dbraw/zinc/66/33/39/436663339.db2.gz UDBLAMUDHDCSBS-UHFFFAOYSA-N 0 0 340.343 0.834 10 0 ECAERN O=C(NC[C@H](O)CN1CCOCC1)Nc1ccc(F)c(F)c1F ZINC000119278977 436665538 /nfs/dbraw/zinc/66/55/38/436665538.db2.gz BUCWPKGXUJVWOQ-VIFPVBQESA-N 0 0 333.310 0.919 10 0 ECAERN CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)NC[C@H]1CN(C)CCO1 ZINC000194623702 436669182 /nfs/dbraw/zinc/66/91/82/436669182.db2.gz HDMHWXULPIEIBS-WMZOPIPTSA-N 0 0 345.443 0.969 10 0 ECAERN CC(C)NC(=O)C(=O)N1CCN(Cc2nnc(C(C)C)n2C)CC1 ZINC000195041850 436677870 /nfs/dbraw/zinc/67/78/70/436677870.db2.gz PZUIRTRSCLWANK-UHFFFAOYSA-N 0 0 336.440 0.107 10 0 ECAERN Cc1cc(S(N)(=O)=O)cc(C(=O)N[C@H]2CCCn3ncnc32)c1C ZINC000120044922 436677993 /nfs/dbraw/zinc/67/79/93/436677993.db2.gz YZGAHSJREONFQP-ZDUSSCGKSA-N 0 0 349.416 0.807 10 0 ECAERN O=C(NC[C@H](O)COc1cccc(C(F)(F)F)c1)[C@@H]1CNC(=O)C1 ZINC000195093428 436678911 /nfs/dbraw/zinc/67/89/11/436678911.db2.gz OVUHUAOKVNWDBT-ONGXEEELSA-N 0 0 346.305 0.697 10 0 ECAERN Cc1ccc(-c2nnn(CC(=O)N3CCC[C@@H]3C(=O)N(C)C)n2)cc1 ZINC000120250945 436683341 /nfs/dbraw/zinc/68/33/41/436683341.db2.gz UFWLWZGQIDZKLW-CQSZACIVSA-N 0 0 342.403 0.728 10 0 ECAERN C[C@H](CNC(=O)NC[C@]1(O)CCc2ccccc21)N1CCOCC1 ZINC000121634654 436720091 /nfs/dbraw/zinc/72/00/91/436720091.db2.gz ZYZPQBUKQHRUPA-RDTXWAMCSA-N 0 0 333.432 0.840 10 0 ECAERN CCn1ccnc1CN1C(=O)N[C@@](C)(c2cccc(C(N)=O)c2)C1=O ZINC000067782962 436723833 /nfs/dbraw/zinc/72/38/33/436723833.db2.gz AKUXSJBOJKIKLW-KRWDZBQOSA-N 0 0 341.371 0.969 10 0 ECAERN C[C@H]1CN(C(=O)c2cccc3c2oc(=O)n3C)C[C@H]1N1CCOCC1 ZINC000125079623 436761399 /nfs/dbraw/zinc/76/13/99/436761399.db2.gz IZSQRVJORXMZSZ-SWLSCSKDSA-N 0 0 345.399 0.924 10 0 ECAERN CN1C(=O)C[C@@H](C(=O)NC[C@@H]2CN(C)CCO2)[C@@H]1c1ccc(F)cc1 ZINC000245607178 436766133 /nfs/dbraw/zinc/76/61/33/436766133.db2.gz ALUPSAPQTSNNTB-INMHGKMJSA-N 0 0 349.406 0.792 10 0 ECAERN CC(C)NC(=O)CCNC(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000155938511 436807381 /nfs/dbraw/zinc/80/73/81/436807381.db2.gz XWLOPGFYDXQQCR-GFCCVEGCSA-N 0 0 336.440 0.930 10 0 ECAERN CC[C@@H]1CN(C(=O)C(=O)Nc2ccsc2)CCN1C[C@@H](C)O ZINC000125829435 436775782 /nfs/dbraw/zinc/77/57/82/436775782.db2.gz WFLYOTYILUPIHD-DGCLKSJQSA-N 0 0 325.434 0.990 10 0 ECAERN CCOCCN1CCN(C(=O)C(=O)Nc2cc(C)nn2C)C[C@H]1C ZINC000126215330 436783981 /nfs/dbraw/zinc/78/39/81/436783981.db2.gz ZPWKNYJPGHUCAT-CYBMUJFWSA-N 0 0 337.424 0.236 10 0 ECAERN Cc1c(F)cccc1NC(=O)C(=O)N1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000247235219 436791669 /nfs/dbraw/zinc/79/16/69/436791669.db2.gz ZOPUZXSWCXKMFE-NEPJUHHUSA-N 0 0 337.395 0.986 10 0 ECAERN CCOCCN1CCN(C(=O)c2cc(C(N)=O)cn2C)C[C@H]1CC ZINC000155235587 436791678 /nfs/dbraw/zinc/79/16/78/436791678.db2.gz ZSQZMNPKAOVKNP-CQSZACIVSA-N 0 0 336.436 0.697 10 0 ECAERN O=C(CCNS(=O)(=O)c1cccs1)N1CC[C@H](CCO)C1 ZINC000126894175 436794326 /nfs/dbraw/zinc/79/43/26/436794326.db2.gz ZVBJEULNSHGICE-LLVKDONJSA-N 0 0 332.447 0.647 10 0 ECAERN CCn1cc(CN2CCCN(C(=O)[C@@H]3CCNC(=O)C3)CC2)cn1 ZINC000155795475 436803823 /nfs/dbraw/zinc/80/38/23/436803823.db2.gz HTVPKFVCVOYCDV-OAHLLOKOSA-N 0 0 333.436 0.464 10 0 ECAERN O=C(CCNC(=O)N1CCC(c2cc[nH]n2)CC1)N1CCOCC1 ZINC000155846103 436804890 /nfs/dbraw/zinc/80/48/90/436804890.db2.gz WSKQXBCFBAXRKR-UHFFFAOYSA-N 0 0 335.408 0.548 10 0 ECAERN COC[C@@H]1CN(c2cnccn2)C[C@H]1C(=O)NCCCn1cccn1 ZINC000253399879 436842482 /nfs/dbraw/zinc/84/24/82/436842482.db2.gz DJKIQZQWVFMZDF-LSDHHAIUSA-N 0 0 344.419 0.578 10 0 ECAERN CCNC(=O)C(C)(C)CNC(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000131204759 436848063 /nfs/dbraw/zinc/84/80/63/436848063.db2.gz YOUQDINTNCDQLP-KGLIPLIRSA-N 0 0 340.468 0.511 10 0 ECAERN CNC(=O)c1cncc(/C=C\C(=O)N2CCN(CCOC)[C@H](C)C2)c1 ZINC000255001921 436849857 /nfs/dbraw/zinc/84/98/57/436849857.db2.gz NAMANNRREZUDOB-ZRUQZJFASA-N 0 0 346.431 0.634 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)N[C@H](C)CO[C@@H]1CCOC1)CC2 ZINC000129086814 436823625 /nfs/dbraw/zinc/82/36/25/436823625.db2.gz AIVINILDOCTREE-JHJVBQTASA-N 0 0 337.424 0.649 10 0 ECAERN O=C(Cn1cc(-c2ccccc2)nn1)N1CC[C@H](N2CCOCC2)C1 ZINC000135534369 436918944 /nfs/dbraw/zinc/91/89/44/436918944.db2.gz SDATVQJBYNECRD-INIZCTEOSA-N 0 0 341.415 0.878 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)N[C@H](CO)Cc2ccccc2)C1 ZINC000263376460 436963694 /nfs/dbraw/zinc/96/36/94/436963694.db2.gz BYTLALLPIOLGAA-PCKAHOCUSA-N 0 0 349.431 0.827 10 0 ECAERN CN1CCO[C@H](CNC(=O)c2ccc(-n3cnnn3)cc2Cl)C1 ZINC000171481156 436979261 /nfs/dbraw/zinc/97/92/61/436979261.db2.gz GFPGULBJQVEGHM-LLVKDONJSA-N 0 0 336.783 0.376 10 0 ECAERN CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1ccc2nc(C)oc2c1 ZINC000166758017 436939639 /nfs/dbraw/zinc/93/96/39/436939639.db2.gz QYMKRKSUOKAWQV-GFCCVEGCSA-N 0 0 330.344 0.812 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)N2CC(OCCCOC)C2)C1 ZINC000262946178 436945665 /nfs/dbraw/zinc/94/56/65/436945665.db2.gz AHPLMUZAWPSCSI-UHFFFAOYSA-N 0 0 343.424 0.371 10 0 ECAERN C[C@@](O)(CN1CCN(C(=O)C(=O)N2CCCC2)CC1)c1ccccc1 ZINC000170777070 436952211 /nfs/dbraw/zinc/95/22/11/436952211.db2.gz NSYPSKYILLZYGF-LJQANCHMSA-N 0 0 345.443 0.661 10 0 ECAERN Cc1nn(C)c(=O)c(C(=O)N[C@@H]2CCc3nnc(C(C)C)n3C2)c1C ZINC000170831044 436954171 /nfs/dbraw/zinc/95/41/71/436954171.db2.gz ZHCMZPIZFKBKOI-GFCCVEGCSA-N 0 0 344.419 0.857 10 0 ECAERN Cc1nc2c(c(=O)[nH]n2C)c(C)c1CNC(=O)[C@@H]1CC(F)(F)CN1 ZINC000263182047 436954247 /nfs/dbraw/zinc/95/42/47/436954247.db2.gz GVFNIOPYRIXNMF-JTQLQIEISA-N 0 0 339.346 0.492 10 0 ECAERN CCS(=O)(=O)NCCCNC(=O)N1CCC[C@H]1c1cnn(C)c1 ZINC000170891710 436958510 /nfs/dbraw/zinc/95/85/10/436958510.db2.gz BNKQJESBUKCZKQ-ZDUSSCGKSA-N 0 0 343.453 0.596 10 0 ECAERN CN1CCO[C@H](CNC(=O)N[C@@H]2CC(=O)N(c3ccccc3)C2)C1 ZINC000170923442 436960514 /nfs/dbraw/zinc/96/05/14/436960514.db2.gz RLACKCSKGKWCMX-UKRRQHHQSA-N 0 0 332.404 0.422 10 0 ECAERN CN1CCO[C@H](CNC(=O)NCc2ccc(N3CCCC3=O)cc2)C1 ZINC000170920258 436960900 /nfs/dbraw/zinc/96/09/00/436960900.db2.gz IMGPLDVXDUPIRC-MRXNPFEDSA-N 0 0 346.431 0.943 10 0 ECAERN C[C@H](CS(C)(=O)=O)NC(=O)N1CCC(Cn2cccn2)CC1 ZINC000172590743 437020778 /nfs/dbraw/zinc/02/07/78/437020778.db2.gz WRSSTKHASFSRGP-GFCCVEGCSA-N 0 0 328.438 0.738 10 0 ECAERN Cc1cc(CN2CCN(C(=O)N[C@@H]3CCc4ncnn4C3)CC2)no1 ZINC000172603042 437021400 /nfs/dbraw/zinc/02/14/00/437021400.db2.gz UEKUDKNXFKLJQH-CYBMUJFWSA-N 0 0 345.407 0.417 10 0 ECAERN O=C(Cn1ccc(=O)c2ccccc21)N1CC[C@@H](N2CCOCC2)C1 ZINC000172746932 437028254 /nfs/dbraw/zinc/02/82/54/437028254.db2.gz DFVKPADVRYWHSY-OAHLLOKOSA-N 0 0 341.411 0.935 10 0 ECAERN O=C(NCc1ccc(F)cc1)C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000172758637 437029017 /nfs/dbraw/zinc/02/90/17/437029017.db2.gz ZPKBTHOYAJVVRG-OAHLLOKOSA-N 0 0 335.379 0.375 10 0 ECAERN Cc1ncc(CN2CCN(C(=O)N[C@H](C)C(=O)N(C)C)CC2)s1 ZINC000171901634 436991444 /nfs/dbraw/zinc/99/14/44/436991444.db2.gz DJAOALWBTNMODH-LLVKDONJSA-N 0 0 339.465 0.755 10 0 ECAERN Cn1cc(CN2CCCN(C(=O)NCCCn3ccnc3)CC2)cn1 ZINC000172121090 436999177 /nfs/dbraw/zinc/99/91/77/436999177.db2.gz UKKDCBZGZKRFPT-UHFFFAOYSA-N 0 0 345.451 0.924 10 0 ECAERN Cn1cc([C@H]2CCN(C(=O)[C@@H]3CCCN3S(C)(=O)=O)C2)cn1 ZINC000172262279 437005956 /nfs/dbraw/zinc/00/59/56/437005956.db2.gz IXAXSFVRKDCFHB-AAEUAGOBSA-N 0 0 326.422 0.160 10 0 ECAERN CCOCCN1CCN(C(=O)C(=O)Nc2cc(C)on2)C[C@@H]1CC ZINC000172298328 437007506 /nfs/dbraw/zinc/00/75/06/437007506.db2.gz QWJBXASUIIGFMU-ZDUSSCGKSA-N 0 0 338.408 0.881 10 0 ECAERN CNc1cc(N2CCC[C@@H]2CNC(=O)CCn2ccnn2)ncn1 ZINC000173415209 437047636 /nfs/dbraw/zinc/04/76/36/437047636.db2.gz YKBZZTMTZWTJRT-GFCCVEGCSA-N 0 0 330.396 0.285 10 0 ECAERN CC[C@](C)(O)CNC(=O)NC[C@@H]1CCCN1c1cc(NC)ncn1 ZINC000173419200 437048194 /nfs/dbraw/zinc/04/81/94/437048194.db2.gz SJVHXOUBJGLMMW-LRDDRELGSA-N 0 0 336.440 0.947 10 0 ECAERN C[C@H](CNC(=O)c1cn(Cc2cccs2)nn1)N1CCOCC1 ZINC000173412090 437049009 /nfs/dbraw/zinc/04/90/09/437049009.db2.gz WPXYOWLDQBJXAQ-GFCCVEGCSA-N 0 0 335.433 0.838 10 0 ECAERN CNc1cc(N2CCC[C@@H]2CNC(=O)C(=O)c2cnn(C)c2)ncn1 ZINC000173427613 437049845 /nfs/dbraw/zinc/04/98/45/437049845.db2.gz OFFCEZVKYKTDRK-GFCCVEGCSA-N 0 0 343.391 0.220 10 0 ECAERN Cc1nnc([C@H]2CN(C(=O)c3cnn4ccc(C)nc34)CCO2)[nH]1 ZINC000173529701 437055059 /nfs/dbraw/zinc/05/50/59/437055059.db2.gz ZQSQNAWJHOHZEZ-GFCCVEGCSA-N 0 0 327.348 0.678 10 0 ECAERN Cc1nnc([C@H]2CN(C(=O)CN3CCCCCCC3=O)CCO2)[nH]1 ZINC000173541470 437056070 /nfs/dbraw/zinc/05/60/70/437056070.db2.gz KYKXKPHNSKMCNG-CYBMUJFWSA-N 0 0 335.408 0.806 10 0 ECAERN CCc1nnc([C@H]2CN(C(=O)c3ccc4n[nH]nc4c3)CCO2)[nH]1 ZINC000173608066 437058798 /nfs/dbraw/zinc/05/87/98/437058798.db2.gz VENCXIMILSFFFP-GFCCVEGCSA-N 0 0 327.348 0.852 10 0 ECAERN Cn1cc(S(=O)(=O)NCCN2CCC(c3cc[nH]n3)CC2)cn1 ZINC000173606454 437058869 /nfs/dbraw/zinc/05/88/69/437058869.db2.gz UVVBDTCPCDFZKL-UHFFFAOYSA-N 0 0 338.437 0.301 10 0 ECAERN O=C(Nc1ccc2n[nH]cc2c1)C(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000173693351 437059524 /nfs/dbraw/zinc/05/95/24/437059524.db2.gz PFLDRPQPMGEUFH-CYBMUJFWSA-N 0 0 339.359 0.957 10 0 ECAERN Cn1c2c(nc1[C@@H]1CCCN1CC(=O)N1CCNC1=O)CCCC2 ZINC000276130403 437060240 /nfs/dbraw/zinc/06/02/40/437060240.db2.gz YIBSTXFCABFOCB-AWEZNQCLSA-N 0 0 331.420 0.988 10 0 ECAERN CNC(=O)c1cccc(NC(=O)N2CC[C@H](N3CCOCC3)C2)c1 ZINC000173785689 437064373 /nfs/dbraw/zinc/06/43/73/437064373.db2.gz GYLKJCKQRUTOOL-HNNXBMFYSA-N 0 0 332.404 0.985 10 0 ECAERN C[C@@H]1CN(C(=O)c2cccc(-n3cnnn3)c2)C[C@H]1N1CCOCC1 ZINC000173861256 437066507 /nfs/dbraw/zinc/06/65/07/437066507.db2.gz BFSXZSKTCAKBPK-CZUORRHYSA-N 0 0 342.403 0.455 10 0 ECAERN CC[C@@H](O)CN1CCN(Cc2csc(CS(C)(=O)=O)n2)CC1 ZINC000174070627 437073245 /nfs/dbraw/zinc/07/32/45/437073245.db2.gz AVUIQFXXNNRRPE-CYBMUJFWSA-N 0 0 347.506 0.576 10 0 ECAERN Cc1cc(N2CCC[C@@H](NC(=O)c3cn(C)nc3C)C2=O)n(C)n1 ZINC000173068241 437037114 /nfs/dbraw/zinc/03/71/14/437037114.db2.gz MOBBJAJRSMJKEO-CYBMUJFWSA-N 0 0 330.392 0.696 10 0 ECAERN Cc1cc(C(=O)N2CCN(C[C@@H](C)O)[C@H](C)C2)c2c(=O)[nH]n(C)c2n1 ZINC000174336616 437079882 /nfs/dbraw/zinc/07/98/82/437079882.db2.gz WDEPEXYGDDPKFD-VXGBXAGGSA-N 0 0 347.419 0.097 10 0 ECAERN CC(C)OCCN1CCN(C(=O)N[C@H]2CCc3ncnn3C2)CC1 ZINC000174277011 437076910 /nfs/dbraw/zinc/07/69/10/437076910.db2.gz HYZZTMIJRFRWJB-AWEZNQCLSA-N 0 0 336.440 0.345 10 0 ECAERN NC(=O)[C@H]1COCCN1S(=O)(=O)c1ccccc1C(F)(F)F ZINC000179687044 303334709 /nfs/dbraw/zinc/33/47/09/303334709.db2.gz MWHWBKJJWXGUFC-SECBINFHSA-N 0 0 338.307 0.580 10 0 ECAERN O=C(CCc1ccoc1)N1CCN(c2ccc3nncn3n2)CC1 ZINC000175428258 437105310 /nfs/dbraw/zinc/10/53/10/437105310.db2.gz MTAZEZYIFYEDTK-UHFFFAOYSA-N 0 0 326.360 0.999 10 0 ECAERN Cc1nn(C)c(C)c1CNC(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000175828471 437119590 /nfs/dbraw/zinc/11/95/90/437119590.db2.gz GGLKMVRFLAOZJV-MLGOLLRUSA-N 0 0 335.452 0.899 10 0 ECAERN CS(=O)(=O)CCN1CCN(c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000302070871 437139218 /nfs/dbraw/zinc/13/92/18/437139218.db2.gz GUTPYGRKCUZXEK-UHFFFAOYSA-N 0 0 346.474 0.257 10 0 ECAERN C[C@@H](c1nc(N)nc(N(C)C)n1)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000177263574 437175498 /nfs/dbraw/zinc/17/54/98/437175498.db2.gz LIVBOXIWGZVTLZ-AGIUHOORSA-N 0 0 335.456 0.233 10 0 ECAERN O=C(CSC[C@H](O)CO)NCc1ccccc1Cn1cccn1 ZINC000177409033 437183159 /nfs/dbraw/zinc/18/31/59/437183159.db2.gz NQIDLJXRILEAFM-OAHLLOKOSA-N 0 0 335.429 0.634 10 0 ECAERN CNC(=O)[C@H](NC(=O)N1CCN(Cc2cccnc2)CC1)C(C)C ZINC000178406974 437214574 /nfs/dbraw/zinc/21/45/74/437214574.db2.gz MBHVSZFXKVJHHW-OAHLLOKOSA-N 0 0 333.436 0.679 10 0 ECAERN C[C@H](NC(=O)Cn1ncn(C)c1=O)c1cccc(-n2ccnc2)c1 ZINC000179524617 437267465 /nfs/dbraw/zinc/26/74/65/437267465.db2.gz XRNCZYKKCDOJHN-LBPRGKRZSA-N 0 0 326.360 0.645 10 0 ECAERN CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CN2CCN1CC2 ZINC000178730588 437226155 /nfs/dbraw/zinc/22/61/55/437226155.db2.gz KZQYCHFTZYMNRQ-KBPBESRZSA-N 0 0 340.468 0.796 10 0 ECAERN Cc1ccc(S(=O)(=O)NCCNC(=O)C[C@@H](O)C(C)C)cc1 ZINC000178880469 437234800 /nfs/dbraw/zinc/23/48/00/437234800.db2.gz MZRNKBIBYCMAGV-CQSZACIVSA-N 0 0 328.434 0.797 10 0 ECAERN Cc1cc(F)c(C(=O)N2C[C@@H](O)[C@@H]([N@H+](C)CC(=O)[O-])C2)cc1F ZINC000328603763 437238899 /nfs/dbraw/zinc/23/88/99/437238899.db2.gz HDRXMZMRBYPWBX-QWHCGFSZSA-N 0 0 328.315 0.475 10 0 ECAERN O=S(=O)(/C=C/c1ccc(F)cc1)NC[C@H](O)CN1CCOCC1 ZINC000179007908 437246001 /nfs/dbraw/zinc/24/60/01/437246001.db2.gz FKIFXTOJIXQGTL-RNOHYWCBSA-N 0 0 344.408 0.409 10 0 ECAERN Cc1cnn(CCNC(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)c1 ZINC000179409353 437263879 /nfs/dbraw/zinc/26/38/79/437263879.db2.gz BGWAIZMMPJQJBU-UHFFFAOYSA-N 0 0 341.375 0.898 10 0 ECAERN C[C@H]1CN(C(=O)C(=O)Nc2ccc(F)nc2)C[C@H]1N1CCOCC1 ZINC000180255017 437282808 /nfs/dbraw/zinc/28/28/08/437282808.db2.gz GPEGEEQQYVSEGW-WCQYABFASA-N 0 0 336.367 0.338 10 0 ECAERN CCc1cc(NC(=O)C(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)n(C)n1 ZINC000180256708 437285110 /nfs/dbraw/zinc/28/51/10/437285110.db2.gz AWSBXCUVDBNOJD-TZMCWYRMSA-N 0 0 349.435 0.100 10 0 ECAERN CN(C)c1nc2sc(C(=O)N3CCOC[C@H]3C(N)=O)cc2s1 ZINC000180267709 437285427 /nfs/dbraw/zinc/28/54/27/437285427.db2.gz ZAIWUJNEEPTFAL-ZETCQYMHSA-N 0 0 340.430 0.750 10 0 ECAERN Cc1cccc(NC(=O)C(=O)N2CCN(C[C@@H](C)O)[C@@H](C)C2)c1F ZINC000180680971 437298271 /nfs/dbraw/zinc/29/82/71/437298271.db2.gz KAKXEUQKEKSBBO-QWHCGFSZSA-N 0 0 337.395 0.986 10 0 ECAERN CCS(=O)(=O)C[C@H](C)N[C@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000182348652 437347112 /nfs/dbraw/zinc/34/71/12/437347112.db2.gz RVIJCMLRLBTPAF-STQMWFEESA-N 0 0 342.465 0.637 10 0 ECAERN CCC(=O)N1CC[C@H](NC(=O)N2CCN(C[C@H](O)CC)CC2)C1 ZINC000181999963 437336122 /nfs/dbraw/zinc/33/61/22/437336122.db2.gz NJEMZKDOMPAZIM-UONOGXRCSA-N 0 0 326.441 0.095 10 0 ECAERN COC[C@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1 ZINC000184501025 437404452 /nfs/dbraw/zinc/40/44/52/437404452.db2.gz HHNZTJPPFHSTTB-HOCLYGCPSA-N 0 0 334.416 0.855 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)NCCCC(=O)NC2CC2)CC1 ZINC000184861545 437416581 /nfs/dbraw/zinc/41/65/81/437416581.db2.gz JFZVOXBBJCLQGP-CQSZACIVSA-N 0 0 326.441 0.143 10 0 ECAERN O=C(CN1C[C@@H](O)C[C@@H]1CO)Nc1ccc(N2CCCCC2)nc1 ZINC000185154054 437427960 /nfs/dbraw/zinc/42/79/60/437427960.db2.gz DESSUVBVZJENIN-CABCVRRESA-N 0 0 334.420 0.438 10 0 ECAERN COc1ccc(CN(C(=O)CN2C[C@H](O)C[C@@H]2CO)C2CC2)cc1 ZINC000185184240 437430397 /nfs/dbraw/zinc/43/03/97/437430397.db2.gz NAJFYNMBQIOYDR-HZPDHXFCSA-N 0 0 334.416 0.614 10 0 ECAERN CC(C)OCCN1CCN(C(=O)NCC(=O)NCC2CC2)CC1 ZINC000183781762 437391899 /nfs/dbraw/zinc/39/18/99/437391899.db2.gz COUYNFWVDKJKAB-UHFFFAOYSA-N 0 0 326.441 0.265 10 0 ECAERN CCc1nnc([C@H]2CN(S(=O)(=O)N(CC)CC3CC3)CCO2)[nH]1 ZINC000183941444 437394029 /nfs/dbraw/zinc/39/40/29/437394029.db2.gz RJPHEHKYTMQYIG-GFCCVEGCSA-N 0 0 343.453 0.717 10 0 ECAERN NC(=O)[C@@H]1COCCN1S(=O)(=O)/C=C/c1cccc(Cl)c1 ZINC000184235347 437397792 /nfs/dbraw/zinc/39/77/92/437397792.db2.gz YVKQNLCYAZDZJV-NTYUQYKDSA-N 0 0 330.793 0.827 10 0 ECAERN COCC(=O)NC1CN(C(=O)c2ccn(-c3ccc(F)cc3)n2)C1 ZINC000185249869 437432061 /nfs/dbraw/zinc/43/20/61/437432061.db2.gz DORZPAUPWZRCOY-UHFFFAOYSA-N 0 0 332.335 0.598 10 0 ECAERN COCC(=O)NC1CN(C(=O)[C@H]2CCCN(CC(F)(F)F)C2)C1 ZINC000185261354 437432446 /nfs/dbraw/zinc/43/24/46/437432446.db2.gz ZHOOCSKATXKUJL-JTQLQIEISA-N 0 0 337.342 0.234 10 0 ECAERN COCC(=O)NC1CN(C(=O)c2cnc(-c3ccncc3)s2)C1 ZINC000185303291 437434532 /nfs/dbraw/zinc/43/45/32/437434532.db2.gz PMKUSEPCMQCWIZ-UHFFFAOYSA-N 0 0 332.385 0.792 10 0 ECAERN CN1CCO[C@H](CNC(=O)NC2CCC(O)(c3cccnc3)CC2)C1 ZINC000185678473 437448140 /nfs/dbraw/zinc/44/81/40/437448140.db2.gz SWZSFFWTKYEXBD-UPTPFMHGSA-N 0 0 348.447 0.842 10 0 ECAERN CCOC(=O)c1nn(C)cc1CN1CCOC[C@H]1c1nc(C)no1 ZINC000188484764 437552238 /nfs/dbraw/zinc/55/22/38/437552238.db2.gz PCPZSOVBWJMQOL-LBPRGKRZSA-N 0 0 335.364 0.862 10 0 ECAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)c1cc2c(cn1)nc[nH]c2=O ZINC000188481727 437552732 /nfs/dbraw/zinc/55/27/32/437552732.db2.gz LBFXIBCJFOLMKZ-SNVBAGLBSA-N 0 0 325.332 0.483 10 0 ECAERN CC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2ccnn2[C@H](C)C2CC2)C1 ZINC000191989537 437659589 /nfs/dbraw/zinc/65/95/89/437659589.db2.gz CJFQLMSNGPPCOD-BXUZGUMPSA-N 0 0 347.419 0.920 10 0 ECAERN Cc1nn(C)c(C)c1CCNC(=O)[C@@H](Cc1ccccc1)NC(N)=O ZINC000192498766 437679294 /nfs/dbraw/zinc/67/92/94/437679294.db2.gz SZZSZPFWTNGGDR-MRXNPFEDSA-N 0 0 343.431 0.975 10 0 ECAERN Cc1cccc2c1N(C(=O)C(=O)NC[C@H](C)N1CCOCC1)CC2 ZINC000193590737 437712360 /nfs/dbraw/zinc/71/23/60/437712360.db2.gz NCKHZQAQWMBWFZ-AWEZNQCLSA-N 0 0 331.416 0.721 10 0 ECAERN CO[C@H]1C[C@H](C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)N(S(C)(=O)=O)C1 ZINC000365768109 437967316 /nfs/dbraw/zinc/96/73/16/437967316.db2.gz RNJSIOFVOHXCLF-MEBFFEOJSA-N 0 0 332.466 0.976 10 0 ECAERN CCCCN1CCOC[C@@H]1C(=O)N1C[C@H](C)O[C@@]2(CCOC2)C1 ZINC000366546847 438090282 /nfs/dbraw/zinc/09/02/82/438090282.db2.gz PZVANTXVOLXFTC-UXLLHSPISA-N 0 0 326.437 0.894 10 0 ECAERN Cc1nc(CN(C)[C@@H]2CCN(C(=O)C(F)(F)C3(O)CCC3)C2)no1 ZINC000372334122 438071701 /nfs/dbraw/zinc/07/17/01/438071701.db2.gz QLSSQWWHCTZNTN-LLVKDONJSA-N 0 0 344.362 0.961 10 0 ECAERN C[C@@H]1CSCCN1C(=O)N[C@@H]1CCC(=O)N[C@H]1[C@H]1CCCO1 ZINC000378067731 438347528 /nfs/dbraw/zinc/34/75/28/438347528.db2.gz FBMUPHFLEQHMNL-HKUMRIAESA-N 0 0 327.450 0.960 10 0 ECAERN CCn1c(CCNC(=O)[C@H]2C[C@@H](O)CN2C(C)=O)nc2ccccc21 ZINC000368988762 438407777 /nfs/dbraw/zinc/40/77/77/438407777.db2.gz BGGJXEANWCDCGU-CZUORRHYSA-N 0 0 344.415 0.697 10 0 ECAERN NC(=O)[C@]1(O)CCCN(C(=O)/C=C/c2ccc(Br)o2)C1 ZINC000380564960 438412303 /nfs/dbraw/zinc/41/23/03/438412303.db2.gz GXLIPWCWNHPGHV-LQPUYASZSA-N 0 0 343.177 0.894 10 0 ECAERN Cn1ccnc1[C@H]1CN(C(=O)N[C@H]2CCc3n[nH]cc3C2)CCN1C ZINC000369668164 438501985 /nfs/dbraw/zinc/50/19/85/438501985.db2.gz XSXUQDUGOXXLTB-DZGCQCFKSA-N 0 0 343.435 0.699 10 0 ECAERN C[C@@H](C(=O)NCc1cccs1)N1CCO[C@@H](c2nncn2C)C1 ZINC000583615002 439485783 /nfs/dbraw/zinc/48/57/83/439485783.db2.gz SULQMXLTIVIGQQ-WCQYABFASA-N 0 0 335.433 0.955 10 0 ECAERN O=C(CN1CCC[C@@](O)(c2cn[nH]n2)C1)NCc1ccccc1F ZINC000583618037 439487578 /nfs/dbraw/zinc/48/75/78/439487578.db2.gz WQAXVHATJOUFEC-INIZCTEOSA-N 0 0 333.367 0.544 10 0 ECAERN COCCS(=O)(=O)N(C)C[C@@H]1CCCN(C)[C@H]1c1cncn1C ZINC000583616800 439487914 /nfs/dbraw/zinc/48/79/14/439487914.db2.gz GGAJZMKRLLWHEZ-DZGCQCFKSA-N 0 0 344.481 0.711 10 0 ECAERN Cn1cc(C(=O)N[C@@H]2CC[C@H](C(F)(F)F)N(C)C2)c(=O)[nH]c1=O ZINC000583619997 439488722 /nfs/dbraw/zinc/48/87/22/439488722.db2.gz HEFRXXQOMLZXES-VXNVDRBHSA-N 0 0 334.298 0.241 10 0 ECAERN O[C@]1(c2cn[nH]n2)CCCN(Cc2ncn(-c3ccccc3)n2)C1 ZINC000583617897 439488780 /nfs/dbraw/zinc/48/87/80/439488780.db2.gz GZNCJGLTVSIHLC-MRXNPFEDSA-N 0 0 325.376 0.869 10 0 ECAERN CN(C)C(=O)[C@]1(N2CCN(C(=O)OC(C)(C)C)CC2)CCOC1 ZINC000536955302 439540712 /nfs/dbraw/zinc/54/07/12/439540712.db2.gz RCYKXAPKQCMEJI-INIZCTEOSA-N 0 0 327.425 0.786 10 0 ECAERN CCn1ccnc1[C@@H]1OCCC[C@H]1C(=O)N1CCN2C(=O)N=NC2C1 ZINC000613513154 439758258 /nfs/dbraw/zinc/75/82/58/439758258.db2.gz KHTXWLIOBYQISV-DGCLKSJQSA-N 0 0 346.391 0.710 10 0 ECAERN CO[C@@H]1C[C@@H](c2ncc[nH]2)N(S(=O)(=O)c2cn(C)nc2C)C1 ZINC000643717748 440280656 /nfs/dbraw/zinc/28/06/56/440280656.db2.gz FBCKPFHATZCSFM-MNOVXSKESA-N 0 0 325.394 0.602 10 0 ECAERN CNC(=O)C[C@@]1(O)CCCN(C(=O)Cc2[nH]nc3ccccc32)C1 ZINC000644036881 440426306 /nfs/dbraw/zinc/42/63/06/440426306.db2.gz ZZHIXMBCWIFYPP-KRWDZBQOSA-N 0 0 330.388 0.595 10 0 ECAERN CNC(=O)C[C@@H]1CS(=O)(=O)CCN1C(=O)c1oc(C)cc1C ZINC000644173150 440462316 /nfs/dbraw/zinc/46/23/16/440462316.db2.gz WLOSYNFWZDNHIV-LLVKDONJSA-N 0 0 328.390 0.272 10 0 ECAERN Cn1cc(C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)c(C2CCOCC2)n1 ZINC000644380205 440559272 /nfs/dbraw/zinc/55/92/72/440559272.db2.gz AGIIDULNYSULHP-GFCCVEGCSA-N 0 0 332.404 0.807 10 0 ECAERN CN1c2ccccc2CN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])[NH2+]C2)CC1=O ZINC000630702485 440944012 /nfs/dbraw/zinc/94/40/12/440944012.db2.gz DOAJCTGORYZNAY-AAEUAGOBSA-N 0 0 331.372 0.444 10 0 ECAERN O=C([O-])[C@H]1CC[C@@H](C(=O)N2CCN(c3ccccc3)C(=O)C2)C[NH2+]1 ZINC000630706634 440944834 /nfs/dbraw/zinc/94/48/34/440944834.db2.gz ODVPLHPJTMOMGY-TZMCWYRMSA-N 0 0 331.372 0.315 10 0 ECAERN COCc1noc([C@H](C)N2CCN(c3ccc4nncn4n3)CC2)n1 ZINC000181807452 320528041 /nfs/dbraw/zinc/52/80/41/320528041.db2.gz NTUQQCCNHRCUBF-NSHDSACASA-N 0 0 344.379 0.537 10 0 ECAERN CCCN(C(=O)C[C@@H](C)N1CCCCC1=O)[C@@H]1CC(=O)N(C)C1=O ZINC000328694301 320727866 /nfs/dbraw/zinc/72/78/66/320727866.db2.gz SLYFJTUCAROTBA-CHWSQXEVSA-N 0 0 337.420 0.773 10 0 ECAERN O=C([C@H]1COCCO1)N1CCNC(=O)[C@@H]1Cc1nc2ccccc2o1 ZINC000329925319 320796065 /nfs/dbraw/zinc/79/60/65/320796065.db2.gz VIVMBTQQYAMJIJ-GXTWGEPZSA-N 0 0 345.355 0.953 10 0 ECAERN COCCN(C(=O)Cc1nc2nc(C)cc(C)n2n1)[C@@H]1CCO[C@@H]1C ZINC000330197523 320810200 /nfs/dbraw/zinc/81/02/00/320810200.db2.gz RWHQYFUPTJDNMF-ZIAGYGMSSA-N 0 0 347.419 0.936 10 0 ECAERN C[C@H]1C[C@H](C(=O)Nc2cnn(CC(=O)N3CCN(C)CC3)c2)CO1 ZINC000333353473 320916083 /nfs/dbraw/zinc/91/60/83/320916083.db2.gz WFAQTWAWSIANFJ-STQMWFEESA-N 0 0 335.408 0.021 10 0 ECAERN C[C@@H]1OCCC[C@@H]1C(=O)NCCNS(=O)(=O)c1cccs1 ZINC000189642639 534151834 /nfs/dbraw/zinc/15/18/34/534151834.db2.gz QPLQWIYXBVPNJF-QWRGUYRKSA-N 0 0 332.447 0.958 10 0 ECAERN CC(=O)N1CCN(c2cccc(NC(=O)C(=O)N[C@@H]3C[C@@H]3C)c2)CC1 ZINC000187383651 526635142 /nfs/dbraw/zinc/63/51/42/526635142.db2.gz AOJHNZGVPLFVQD-BLLLJJGKSA-N 0 0 344.415 0.818 10 0 ECAERN CC(=O)NC1CN(C(=O)NCc2ccccc2Cn2cccn2)C1 ZINC000189738290 526710193 /nfs/dbraw/zinc/71/01/93/526710193.db2.gz XYDJDXALIDXUCQ-UHFFFAOYSA-N 0 0 327.388 0.961 10 0 ECAERN NC(=S)c1cccc(CS(=O)(=O)N2CCC[C@H](CO)C2)c1 ZINC000038005342 527120591 /nfs/dbraw/zinc/12/05/91/527120591.db2.gz OMMPDOVXZQWCMN-LBPRGKRZSA-N 0 0 328.459 0.855 10 0 ECAERN CCN1CCCN(C(=O)[C@H](Cc2ccccc2)NC(N)=O)CC1=O ZINC000190491481 529033956 /nfs/dbraw/zinc/03/39/56/529033956.db2.gz MCQIDRYJQCNVTJ-AWEZNQCLSA-N 0 0 332.404 0.347 10 0 ECAERN CC(C)[C@H](NC(=O)C(=O)Nc1ccnn1-c1cccc(F)c1)C(N)=O ZINC000189547054 529077705 /nfs/dbraw/zinc/07/77/05/529077705.db2.gz RIZSVYLJUPVIIR-ZDUSSCGKSA-N 0 0 347.350 0.576 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)C(=O)Nc2nc(C)c(C)s2)CC1 ZINC000193400256 535987534 /nfs/dbraw/zinc/98/75/34/535987534.db2.gz LJVMWVOWVCSFGO-LBPRGKRZSA-N 0 0 340.449 0.614 10 0 ECAERN Cn1c2ccc(S(=O)(=O)NCC[C@H]3CCCO3)cc2oc1=O ZINC000074039992 545683145 /nfs/dbraw/zinc/68/31/45/545683145.db2.gz IJGXUPREDHVXOZ-SNVBAGLBSA-N 0 0 326.374 0.979 10 0 ECAERN O=C(NC[C@@H](O)CN1CCOCC1)c1cnc(-c2ccccc2)nc1 ZINC000128091154 545778155 /nfs/dbraw/zinc/77/81/55/545778155.db2.gz CFCRATSRBWESBI-MRXNPFEDSA-N 0 0 342.399 0.567 10 0 ECAERN Cn1cc([C@H]2CCN(C(=O)C(=O)Nc3cnn(CC4CC4)c3)C2)cn1 ZINC000177937648 545876215 /nfs/dbraw/zinc/87/62/15/545876215.db2.gz MZMFQJQAAKGHHQ-ZDUSSCGKSA-N 0 0 342.403 0.981 10 0 ECAERN CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1cccc(N(C)C)c1C ZINC000180728944 545884196 /nfs/dbraw/zinc/88/41/96/545884196.db2.gz LMBNCTHTGOVAOL-CQSZACIVSA-N 0 0 332.404 0.737 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)C(=O)Nc2cnn(CC3CC3)c2)CC1 ZINC000189467734 545905712 /nfs/dbraw/zinc/90/57/12/545905712.db2.gz LTHOMBQKHPRVMT-OAHLLOKOSA-N 0 0 349.435 0.147 10 0 ECAERN C[C@H](O)CN1CCN(C(=O)C(=O)Nc2cnn(CC3CC3)c2)C[C@H]1C ZINC000246272240 545939023 /nfs/dbraw/zinc/93/90/23/545939023.db2.gz SGDPBIHPNKYYOO-OLZOCXBDSA-N 0 0 349.435 0.145 10 0 ECAERN O=S(=O)(N[C@@H]1CCOC[C@@H]1O)c1ccc(Br)s1 ZINC000625597254 547164130 /nfs/dbraw/zinc/16/41/30/547164130.db2.gz NMZGZUAVRWRGDF-RQJHMYQMSA-N 0 0 342.236 0.939 10 0 ECAERN Cn1cc(O[C@@H]2CN(Cc3ncnn3-c3ccccc3)C[C@H]2O)cn1 ZINC000625628967 547181983 /nfs/dbraw/zinc/18/19/83/547181983.db2.gz MSZFNFLPBHGLLO-HZPDHXFCSA-N 0 0 340.387 0.625 10 0 ECAERN Cc1ccccc1CNC(=O)CN1CC[C@](O)(Cn2ccnn2)C1 ZINC000671554513 548183812 /nfs/dbraw/zinc/18/38/12/548183812.db2.gz CWPVBJYKLIVHMT-QGZVFWFLSA-N 0 0 329.404 0.340 10 0 ECAERN Cn1nccc1[C@@H]1[C@@H](C(=O)N2CCOCC3(CC3)C2)CCC(=O)N1C ZINC000888076048 586245537 /nfs/dbraw/zinc/24/55/37/586245537.db2.gz SAWMTTBZYAJRAY-BBRMVZONSA-N 0 0 346.431 0.969 10 0 ECAERN CNC(=O)C[C@@]1(O)CCCN(C(=O)c2cnc(C)nc2C2CC2)C1 ZINC000888076777 586245780 /nfs/dbraw/zinc/24/57/80/586245780.db2.gz CDJNQMXWYCDERF-KRWDZBQOSA-N 0 0 332.404 0.766 10 0 ECAERN CNC(=O)C[C@]1(O)CCCN(C(=O)c2cnc(C)nc2C2CC2)C1 ZINC000888076778 586245953 /nfs/dbraw/zinc/24/59/53/586245953.db2.gz CDJNQMXWYCDERF-QGZVFWFLSA-N 0 0 332.404 0.766 10 0 ECAERN CO[C@H]1CCCCN(CC(=O)NCc2nnc(C3CC3)n2C)C1=O ZINC000888076582 586245970 /nfs/dbraw/zinc/24/59/70/586245970.db2.gz VNHMTAOHMZNDQX-LBPRGKRZSA-N 0 0 335.408 0.336 10 0 ECAERN Cc1ccccc1-n1cc(C(=O)N[C@H]2C[C@@H](O)[C@@H]2n2cccn2)nn1 ZINC000888079212 586246868 /nfs/dbraw/zinc/24/68/68/586246868.db2.gz LJAZJYHHZGBTRU-APHBMKBZSA-N 0 0 338.371 0.877 10 0 ECAERN CC[C@@H]1CN(C(=O)c2cccn3nnnc23)C[C@@H]1N1CCOCC1 ZINC000896729828 586269904 /nfs/dbraw/zinc/26/99/04/586269904.db2.gz NZYKJYGJWKVXAY-OCCSQVGLSA-N 0 0 330.392 0.307 10 0 ECAERN CCCn1ccc(CNC(=O)[C@@H]2CC[C@H](C(=O)N3CCOCC3)O2)c1 ZINC000897543549 586341549 /nfs/dbraw/zinc/34/15/49/586341549.db2.gz LWOSNJLGPBSLIY-JKSUJKDBSA-N 0 0 349.431 0.921 10 0 ECAERN O=C(c1cn([C@@H]2COC[C@H]2O)nn1)N1CC(COc2ccccc2)C1 ZINC000888093840 586348573 /nfs/dbraw/zinc/34/85/73/586348573.db2.gz XMRGKMBEGLZBRC-HZPDHXFCSA-N 0 0 344.371 0.361 10 0 ECAERN Cc1nnccc1C(=O)NC[C@H]1CCC(=O)N(C)[C@@H]1c1cnn(C)c1 ZINC000888102782 586350732 /nfs/dbraw/zinc/35/07/32/586350732.db2.gz MBBAYNMCCDWYDQ-WBMJQRKESA-N 0 0 342.403 0.858 10 0 ECAERN Cn1ccnc1[C@@H](NC(=O)c1cccn2nnnc12)C1CCOCC1 ZINC000897714183 586363774 /nfs/dbraw/zinc/36/37/74/586363774.db2.gz QOFMVNJCHLIJKS-ZDUSSCGKSA-N 0 0 341.375 0.756 10 0 ECAERN O=C(NC1CC1)C1(C(=O)N2CC[C@@H](n3cc(C4CC4)nn3)C2)CC1 ZINC000899076673 586469581 /nfs/dbraw/zinc/46/95/81/586469581.db2.gz RNSDMDLVCWJBTG-CYBMUJFWSA-N 0 0 329.404 0.988 10 0 ECAERN COCCN1C[C@H](C(=O)N2CC[C@@H](n3cc(C4CC4)nn3)C2)CC1=O ZINC000899074390 586469586 /nfs/dbraw/zinc/46/95/86/586469586.db2.gz HCQBKNPWLREAKO-ZIAGYGMSSA-N 0 0 347.419 0.424 10 0 ECAERN Cc1nccn1[C@H]1CCCN(C(=O)C2CN(S(C)(=O)=O)C2)C1 ZINC000900598696 586645900 /nfs/dbraw/zinc/64/59/00/586645900.db2.gz OVHLOHRZTCEUHN-ZDUSSCGKSA-N 0 0 326.422 0.246 10 0 ECAERN CCn1ncc2c1CCC[C@@H]2NC(=O)C1CN(S(C)(=O)=O)C1 ZINC000900939789 586677640 /nfs/dbraw/zinc/67/76/40/586677640.db2.gz CCXQUZCLQYULLT-LBPRGKRZSA-N 0 0 326.422 0.288 10 0 ECAERN Cc1nnc2n1C[C@@H](C(=O)NCc1nc3cccc(C)c3n1C)NC2 ZINC000818221375 587414789 /nfs/dbraw/zinc/41/47/89/587414789.db2.gz LSIFRYJISSKEDD-ZDUSSCGKSA-N 0 0 339.403 0.570 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)c2cccnc2-n2cccn2)CC1 ZINC000106394636 589209135 /nfs/dbraw/zinc/20/91/35/589209135.db2.gz AWTVGCGZABKUNM-CQSZACIVSA-N 0 0 329.404 0.796 10 0 ECAERN Cn1cc([C@H]2CCN(CN3C(=O)C(=O)N(C4CCCC4)C3=O)C2)cn1 ZINC000116257565 589765735 /nfs/dbraw/zinc/76/57/35/589765735.db2.gz PDBAHZPNNQOMPS-LBPRGKRZSA-N 0 0 345.403 0.900 10 0 ECAERN Cn1cc(O[C@@H]2COC[C@@H]2NC(=O)COc2ccc(CO)cc2)cn1 ZINC000862922861 589974344 /nfs/dbraw/zinc/97/43/44/589974344.db2.gz MKQMIPXPQGVPRR-JKSUJKDBSA-N 0 0 347.371 0.254 10 0 ECAERN Cn1cc(O[C@@H]2COC[C@@H]2NC(=O)Cn2ncc3ccccc32)cn1 ZINC000862924586 589974483 /nfs/dbraw/zinc/97/44/83/589974483.db2.gz LQDONAZXQATROC-GOEBONIOSA-N 0 0 341.371 0.732 10 0 ECAERN Cc1nc(C(=O)N2CCN(C[C@H](O)COc3ccccc3)CC2)no1 ZINC000123755545 590085061 /nfs/dbraw/zinc/08/50/61/590085061.db2.gz URLZPEGZAGAWBG-AWEZNQCLSA-N 0 0 346.387 0.576 10 0 ECAERN O=C(C[C@@H]1CS(=O)(=O)CCN1)NCCc1cccc(Cl)c1 ZINC000126668197 590477699 /nfs/dbraw/zinc/47/76/99/590477699.db2.gz VEIAFKDQAOOXLN-CYBMUJFWSA-N 0 0 330.837 0.775 10 0 ECAERN Cc1csc([C@H]2CN(Cn3nc4cnccn4c3=O)CCO2)n1 ZINC000132035708 590623292 /nfs/dbraw/zinc/62/32/92/590623292.db2.gz XMHOFQKKSJOTCV-LLVKDONJSA-N 0 0 332.389 0.687 10 0 ECAERN Cn1cnnc1C[C@]1(O)CCCN(C(=O)c2cccc3nc[nH]c32)C1 ZINC000886085065 590793603 /nfs/dbraw/zinc/79/36/03/590793603.db2.gz YVJBITHCZBVLDH-QGZVFWFLSA-N 0 0 340.387 0.901 10 0 ECAERN CO[C@H]1CCCCN(CC(=O)N(C)CC2(O)CCOCC2)C1=O ZINC000886088266 590793869 /nfs/dbraw/zinc/79/38/69/590793869.db2.gz OJRJJNMYZDPGPH-ZDUSSCGKSA-N 0 0 328.409 0.014 10 0 ECAERN COc1ccc(C(=O)N2CCN([C@]3(C(N)=O)CCOC3)CC2)c(C)c1 ZINC000886096415 590795555 /nfs/dbraw/zinc/79/55/55/590795555.db2.gz FZOITRAYCWQPEO-GOSISDBHSA-N 0 0 347.415 0.406 10 0 ECAERN Cc1noc(-c2cncn(CCC(=O)NCc3ccncc3)c2=O)n1 ZINC000222846598 609124421 /nfs/dbraw/zinc/12/44/21/609124421.db2.gz NSZPRDYFENKIQP-UHFFFAOYSA-N 0 0 340.343 0.703 10 0 ECAERN C=CC(=O)N(CC)CC(=O)N1CC[C@](O)(c2cn(C(C)C)nn2)C1 ZINC000908091485 609642936 /nfs/dbraw/zinc/64/29/36/609642936.db2.gz FHAJMYVKLIUWTG-MRXNPFEDSA-N 0 0 335.408 0.313 10 0 ECAERN O=C(CNC(=O)Cc1ccccc1)N[C@@H]1C[C@H](O)[C@H]1n1cccn1 ZINC000909154352 609678748 /nfs/dbraw/zinc/67/87/48/609678748.db2.gz KOMHRTAVBRCXFM-KEYYUXOJSA-N 0 0 328.372 0.033 10 0 ECAERN CN(CCO)C(=O)[C@H]1CN(C(=O)c2ccco2)Cc2cccnc21 ZINC000222682560 609703038 /nfs/dbraw/zinc/70/30/38/609703038.db2.gz IFGKPKKVQLEARY-ZDUSSCGKSA-N 0 0 329.356 0.865 10 0 ECAERN C[C@H](O)CNC(=O)CCn1c2ccccc2nc(N2CCCC2)c1=O ZINC000222885943 609705633 /nfs/dbraw/zinc/70/56/33/609705633.db2.gz BVWYVMIKGMGAGM-ZDUSSCGKSA-N 0 0 344.415 0.884 10 0 ECAERN O=C(NCCCO)c1cnc(-n2cnnc2)c(Br)c1 ZINC000223070579 609707319 /nfs/dbraw/zinc/70/73/19/609707319.db2.gz SUGFXAXXAKXSEU-UHFFFAOYSA-N 0 0 326.154 0.537 10 0 ECAERN O=C(COCC(=O)N1CCc2ccccc2C1)NCC1(CO)CCC1 ZINC000223255059 609708841 /nfs/dbraw/zinc/70/88/41/609708841.db2.gz NHVJOUBQLLQMEJ-UHFFFAOYSA-N 0 0 346.427 0.867 10 0 ECAERN CCOC(=O)CNC(=O)[C@@H]1CCC(=O)N1Cc1ccc2c(c1)OCO2 ZINC000223371229 609709773 /nfs/dbraw/zinc/70/97/73/609709773.db2.gz URFSZSVFYJKXPZ-LBPRGKRZSA-N 0 0 348.355 0.586 10 0 ECAERN CN(C)C(=O)CNC(=O)c1nn2c(c1Br)OCCC2 ZINC000223787547 609714409 /nfs/dbraw/zinc/71/44/09/609714409.db2.gz BXLINAZBUFUXMH-UHFFFAOYSA-N 0 0 331.170 0.246 10 0 ECAERN CC[C@H](C)NC(=O)c1ccc2c(c1)n1c(=O)n(C)nc1n(C)c2=O ZINC000064588075 609722983 /nfs/dbraw/zinc/72/29/83/609722983.db2.gz KNKJNDCRYPDRRZ-VIFPVBQESA-N 0 0 329.360 0.413 10 0 ECAERN CCCn1cc(NC(=O)C(=O)N2CC[C@@H](N3CCOCC3)C2)cn1 ZINC000157808730 609732536 /nfs/dbraw/zinc/73/25/36/609732536.db2.gz DNLLPOCYSYVWJI-CQSZACIVSA-N 0 0 335.408 0.165 10 0 ECAERN CNC(=O)[C@@H]1CN(C(=O)c2sc(C)nc2C)C[C@H]1c1nnc(C)[nH]1 ZINC000169791282 609747258 /nfs/dbraw/zinc/74/72/58/609747258.db2.gz JHCUNHSSJCOXIN-GHMZBOCLSA-N 0 0 348.432 0.788 10 0 ECAERN O=C1[C@@H]2CC=CC[C@@H]2C(=O)N1CN1CCO[C@H](Cn2cccn2)C1 ZINC000152848703 609882978 /nfs/dbraw/zinc/88/29/78/609882978.db2.gz LVJODLHNLLRREI-SOUVJXGZSA-N 0 0 330.388 0.493 10 0 ECAERN O=C(N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)c1cccc(F)n1 ZINC000180737438 610056859 /nfs/dbraw/zinc/05/68/59/610056859.db2.gz BEKTXHPWBLFIEV-GXTWGEPZSA-N 0 0 335.291 0.953 10 0 ECAERN C#CCN(C)C(=O)[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(C)C ZINC000191041187 611900723 /nfs/dbraw/zinc/90/07/23/611900723.db2.gz LJTMWBCCJNPJSY-AWEZNQCLSA-N 0 0 333.413 0.841 10 0 ECAERN CC(C)N(C)S(=O)(=O)N(C)[C@H]1CCCN(c2cccnn2)C1 ZINC000247202362 612825712 /nfs/dbraw/zinc/82/57/12/612825712.db2.gz UZHSCNDWGDGQOF-ZDUSSCGKSA-N 0 0 327.454 0.962 10 0 ECAERN CN(C)Cc1cnc(CN2CCC[C@H](n3cnc(C(N)=O)n3)C2)s1 ZINC000329651357 741523618 /nfs/dbraw/zinc/52/36/18/741523618.db2.gz CURSTUVOQAGURQ-NSHDSACASA-N 0 0 349.464 0.732 10 0 ECAERN C[C@H](O)[C@H](C)NS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O ZINC000344893770 755583268 /nfs/dbraw/zinc/58/32/68/755583268.db2.gz CPBPBFDLBOGUFC-QWRGUYRKSA-N 0 0 340.401 0.361 10 0 ECAERN Cc1nonc1CN(C)C(=O)C[C@H]1C(=O)NCCN1Cc1ccoc1 ZINC000055168857 214283279 /nfs/dbraw/zinc/28/32/79/214283279.db2.gz MOOQPKCMTAFUAK-AWEZNQCLSA-N 0 0 347.375 0.320 10 0 ECAERN Cc1cc(N2CCC[C@@H](Nc3ccc(C(N)=O)nn3)C2=O)n(C)n1 ZINC000173986614 231090488 /nfs/dbraw/zinc/09/04/88/231090488.db2.gz YJWFUOLUCUVEOA-LLVKDONJSA-N 0 0 329.364 0.225 10 0 ECAERN CCc1cc(N2CCC(NC(=O)N3CC(NC(C)=O)C3)CC2)ncn1 ZINC000190237032 529530150 /nfs/dbraw/zinc/53/01/50/529530150.db2.gz FVHFMDLDYKSLAL-UHFFFAOYSA-N 0 0 346.435 0.538 10 0 ECAERN Nc1ccn([C@H]2CS[C@H](COC(=O)c3ccccc3O)O2)c(=O)n1 ZINC000098091946 219083399 /nfs/dbraw/zinc/08/33/99/219083399.db2.gz MUAWHSKZVSAWMH-CHWSQXEVSA-N 0 0 349.368 0.976 10 0 ECAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCCN(CC)C(=O)C1 ZINC000189896570 529749731 /nfs/dbraw/zinc/74/97/31/529749731.db2.gz RADTURNJLBYRMR-LBPRGKRZSA-N 0 0 334.424 0.939 10 0 ECAERN CCCCNC(=O)NC(=O)CN1CCC[C@H](NC(=O)CCC)C1 ZINC000101564402 219137772 /nfs/dbraw/zinc/13/77/72/219137772.db2.gz KKSJFDRCYGUUCK-ZDUSSCGKSA-N 0 0 326.441 0.993 10 0 ECAERN NC(=O)[C@@H]1COCCN1S(=O)(=O)c1ccc(Br)cc1 ZINC000126605239 222722142 /nfs/dbraw/zinc/72/21/42/222722142.db2.gz ROXHAPTVJJDTQW-JTQLQIEISA-N 0 0 349.206 0.324 10 0 ECAERN CCn1c2ccc(C(=O)N[C@@H]3CCCC[C@H]3CO)cc2[nH]c(=O)c1=O ZINC000179254182 232857962 /nfs/dbraw/zinc/85/79/62/232857962.db2.gz HWWNWMWPZPQXNR-QWHCGFSZSA-N 0 0 345.399 0.991 10 0 ECAERN O=C(NC[C@@H](O)CN1CCOCC1)c1cnc(-c2ccncc2)s1 ZINC000179475850 233079474 /nfs/dbraw/zinc/07/94/74/233079474.db2.gz NVJURJIEZBCVAN-CYBMUJFWSA-N 0 0 348.428 0.628 10 0 ECAERN CCCCn1c(N)c(N(CC)C(=O)[C@@H](C)COC)c(=O)[nH]c1=O ZINC000103359026 219293351 /nfs/dbraw/zinc/29/33/51/219293351.db2.gz GAOPAAZOWPWPTN-JTQLQIEISA-N 0 0 326.397 0.554 10 0 ECAERN COC[C@@H](C)C(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 ZINC000103433250 219298367 /nfs/dbraw/zinc/29/83/67/219298367.db2.gz KWIJWNWBXSGTNM-CQSZACIVSA-N 0 0 334.420 0.519 10 0 ECAERN Nc1c(C(=O)CN2CCO[C@@H]3CCCC[C@H]32)c(=O)[nH]c(=O)n1C1CC1 ZINC000103470054 219304599 /nfs/dbraw/zinc/30/45/99/219304599.db2.gz NTLKIDXJSBGCAF-DGCLKSJQSA-N 0 0 348.403 0.280 10 0 ECAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)CNC(=O)CCC(C)C ZINC000127236464 222813247 /nfs/dbraw/zinc/81/32/47/222813247.db2.gz UOMOHEJDNWNVJP-LBPRGKRZSA-N 0 0 337.424 0.928 10 0 ECAERN O=C(c1ccc(F)cn1)N1CCN(c2ccc3nncn3n2)CC1 ZINC000182453368 234618232 /nfs/dbraw/zinc/61/82/32/234618232.db2.gz RRGIIPKKBIGEBL-UHFFFAOYSA-N 0 0 327.323 0.621 10 0 ECAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)CN1C(=O)CN(C)C1=O ZINC000105847959 219559685 /nfs/dbraw/zinc/55/96/85/219559685.db2.gz BUCPMFHSANSIAE-GFCCVEGCSA-N 0 0 333.392 0.594 10 0 ECAERN NC(=O)CCCNS(=O)(=O)c1cc(Br)ccc1N ZINC000037929893 213175446 /nfs/dbraw/zinc/17/54/46/213175446.db2.gz SYKDIYXSAFHMCW-UHFFFAOYSA-N 0 0 336.211 0.575 10 0 ECAERN CC(=O)NCCNS(=O)(=O)c1ccc(Br)cc1N ZINC000036746246 213116229 /nfs/dbraw/zinc/11/62/29/213116229.db2.gz HZESAVXYRNCRHL-UHFFFAOYSA-N 0 0 336.211 0.446 10 0 ECAERN O=C(Cn1c(=O)cnc2ccccc21)N1CC(NC(=O)C2CC2)C1 ZINC000189496861 236960288 /nfs/dbraw/zinc/96/02/88/236960288.db2.gz AVSCIXDVOZLPEV-UHFFFAOYSA-N 0 0 326.356 0.134 10 0 ECAERN Cn1cc(NC(=O)C(=O)N2CCCC[C@@H]2c2cn[nH]c2)ccc1=O ZINC000190140085 238244493 /nfs/dbraw/zinc/24/44/93/238244493.db2.gz SGBSAYNYQKWZMS-CYBMUJFWSA-N 0 0 329.360 0.801 10 0 ECAERN O=C(N[C@H]1CCc2ncnn2C1)c1cn(Cc2cccc(F)c2)nn1 ZINC000129774352 223091170 /nfs/dbraw/zinc/09/11/70/223091170.db2.gz HMAKLARFGHXHEV-ZDUSSCGKSA-N 0 0 341.350 0.802 10 0 ECAERN COC(=O)Cc1nn(-c2ccccc2)c2c1nnc1nc(CO)nn12 ZINC000072461528 216243854 /nfs/dbraw/zinc/24/38/54/216243854.db2.gz PCURSLRWNGAHEA-UHFFFAOYSA-N 0 0 339.315 0.066 10 0 ECAERN COCC(=O)NC1CN(C(=O)NCCc2ccc(F)c(F)c2)C1 ZINC000190336736 238396741 /nfs/dbraw/zinc/39/67/41/238396741.db2.gz SZKUADCZUSSVCH-UHFFFAOYSA-N 0 0 327.331 0.664 10 0 ECAERN CCn1cc([C@H]2CN(C(=O)CS(=O)(=O)CC(C)C)CCO2)cn1 ZINC000191731334 239271358 /nfs/dbraw/zinc/27/13/58/239271358.db2.gz CLHJQDLYRMHFGC-CQSZACIVSA-N 0 0 343.449 0.874 10 0 ECAERN Cc1cnn(C[C@H]2CN(C(=O)C(=O)Nc3cccc(C)n3)CCO2)c1 ZINC000193233103 240070502 /nfs/dbraw/zinc/07/05/02/240070502.db2.gz LSEORBALTQDGCE-CQSZACIVSA-N 0 0 343.387 0.761 10 0 ECAERN O=C(NC[C@H](O)CN1CCOCC1)c1ccoc1Br ZINC000193406713 240152751 /nfs/dbraw/zinc/15/27/51/240152751.db2.gz QZIGHBJCMUEICY-VIFPVBQESA-N 0 0 333.182 0.465 10 0 ECAERN COC(=O)[C@@H](CC(C)C)NC(=O)CN1CCC[C@@H](n2cncn2)C1 ZINC000247105905 243374171 /nfs/dbraw/zinc/37/41/71/243374171.db2.gz IQMJXMXUOCBUNO-ZIAGYGMSSA-N 0 0 337.424 0.619 10 0 ECAERN O=c1oc2cc(O[C@@H]3OC[C@H](O)[C@H](O)[C@@H]3O)ccc2c2c1CCC2 ZINC000254848132 244044872 /nfs/dbraw/zinc/04/48/72/244044872.db2.gz CXPNYILRTMRVFZ-QEWYBTABSA-N 0 0 334.324 0.100 10 0 ECAERN CC1=NCCN1C(=O)c1ccc(N2C(=O)[C@@H](C)CS2(=O)=O)cc1 ZINC000020173832 212109655 /nfs/dbraw/zinc/10/96/55/212109655.db2.gz ICHWERLLVQPBHE-JTQLQIEISA-N 0 0 335.385 0.873 10 0 ECAERN C[N@@H+](CC(=O)[O-])C[C@H]1CN(C(=O)[C@@H]2COc3ccccc3C2)CCO1 ZINC000262867897 245222700 /nfs/dbraw/zinc/22/27/00/245222700.db2.gz CHSCGAHRXOIQCR-GJZGRUSLSA-N 0 0 348.399 0.482 10 0 ECAERN C[N@@H+](CC(=O)[O-])C[C@@H]1CN(C(=O)[C@H]2Cc3ccccc3O2)CCO1 ZINC000262979075 245282227 /nfs/dbraw/zinc/28/22/27/245282227.db2.gz TXNSILSGIDXAEE-UKRRQHHQSA-N 0 0 334.372 0.234 10 0 ECAERN Cn1c(=O)oc2cc(NC(=O)C(=O)N[C@H]3CCCC[C@H]3CO)ccc21 ZINC000078993069 217168374 /nfs/dbraw/zinc/16/83/74/217168374.db2.gz DDFPPQUDKDARJN-JQWIXIFHSA-N 0 0 347.371 0.737 10 0 ECAERN O=C(Nc1ccc2scnc2c1)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000177628793 284347009 /nfs/dbraw/zinc/34/70/09/284347009.db2.gz RBDTYDFNGANKHZ-JTQLQIEISA-N 0 0 342.384 0.958 10 0 ECAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)NCCNC(=O)C3CC3)CCO2)n1 ZINC000111802287 220193439 /nfs/dbraw/zinc/19/34/39/220193439.db2.gz LGDOPJFWRZRQDX-HNNXBMFYSA-N 0 0 349.435 0.437 10 0 ECAERN Cc1ccc(C)c(CN2CCN3C(=O)[C@H](CO)N(C)C(=O)[C@H]3C2)c1 ZINC000014531271 211741972 /nfs/dbraw/zinc/74/19/72/211741972.db2.gz JAIOWAHBSGATFD-CVEARBPZSA-N 0 0 331.416 0.149 10 0 ECAERN CCc1noc([C@@H](C)N2CCN(C(=O)NCC(=O)N(C)C)CC2)n1 ZINC000112131720 220249051 /nfs/dbraw/zinc/24/90/51/220249051.db2.gz XINUDFLFXFJJBC-LLVKDONJSA-N 0 0 338.412 0.108 10 0 ECAERN COCCOC(=O)[C@@H](C)n1cnc2sc(C(N)=O)c(C)c2c1=O ZINC000012127279 211300336 /nfs/dbraw/zinc/30/03/36/211300336.db2.gz YEAKRTZMUNLKHB-MRVPVSSYSA-N 0 0 339.373 0.616 10 0 ECAERN COC[C@H](Cc1ccccc1)NC(=O)C1CCN(CC(N)=O)CC1 ZINC000091426738 218004076 /nfs/dbraw/zinc/00/40/76/218004076.db2.gz FCNQPILRSPBPBB-INIZCTEOSA-N 0 0 333.432 0.558 10 0 ECAERN Cc1n[nH]c(CCC(=O)N2CC[C@]3(C2)CCCN(CCO)C3=O)c1C ZINC000091475349 218012253 /nfs/dbraw/zinc/01/22/53/218012253.db2.gz NHGMXCFZGSJTCU-SFHVURJKSA-N 0 0 348.447 0.793 10 0 ECAERN NC(=O)[C@H]1COCCN1C(=O)Cc1coc(-c2ccc(F)cc2)n1 ZINC000091783757 218065831 /nfs/dbraw/zinc/06/58/31/218065831.db2.gz HFRGXKCWXIRAHF-CYBMUJFWSA-N 0 0 333.319 0.736 10 0 ECAERN Cn1ccnc1COc1ccc(CN2CCOC[C@H]2C(N)=O)cc1 ZINC000092230802 218127502 /nfs/dbraw/zinc/12/75/02/218127502.db2.gz XPNVZPZNVOAQLC-HNNXBMFYSA-N 0 0 330.388 0.685 10 0 ECAERN NC(=O)[C@H]1COCCN1CC(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000092229678 218127886 /nfs/dbraw/zinc/12/78/86/218127886.db2.gz FVDQZNSLWKBTME-MRXNPFEDSA-N 0 0 346.431 0.802 10 0 ECAERN CCN(C(=O)CN1CCOC[C@H]1C(N)=O)c1nc2ccccc2s1 ZINC000092229964 218128119 /nfs/dbraw/zinc/12/81/19/218128119.db2.gz UQPUKVQFLPYCGT-LBPRGKRZSA-N 0 0 348.428 0.835 10 0 ECAERN CN(C(=O)CN1CCOC[C@H]1C(N)=O)c1nc2ccccc2s1 ZINC000092421313 218140895 /nfs/dbraw/zinc/14/08/95/218140895.db2.gz ZOCCODKNTQCYEL-NSHDSACASA-N 0 0 334.401 0.445 10 0 ECAERN CCc1nn(C)c(OC)c1CNC(=O)NC[C@H](C)N1CCOCC1 ZINC000093119865 218194711 /nfs/dbraw/zinc/19/47/11/218194711.db2.gz DLBGMCWJKOSLLX-LBPRGKRZSA-N 0 0 339.440 0.511 10 0 ECAERN NS(=O)(=O)[C@@H]1C=NC=C(I)[C@@H]1OC1CC1 ZINC000095734534 218447801 /nfs/dbraw/zinc/44/78/01/218447801.db2.gz GXZZGBNQQDZXRU-SFYZADRCSA-N 0 0 342.158 0.552 10 0 ECAERN CS(=O)(=O)[C@H]1CCN(S(=O)(=O)CCOc2ccccc2)C1 ZINC000096369657 218746501 /nfs/dbraw/zinc/74/65/01/218746501.db2.gz PZUIQIPPNSJRIR-ZDUSSCGKSA-N 0 0 333.431 0.514 10 0 ECAERN Cc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1cccc2nonc21 ZINC000268771126 252222549 /nfs/dbraw/zinc/22/25/49/252222549.db2.gz DWWRXWHSQFALEO-SNVBAGLBSA-N 0 0 334.361 0.936 10 0 ECAERN CNC(=O)[C@H](NC(=O)NCCCNC(=O)c1occc1C)C(C)C ZINC000178437747 207688793 /nfs/dbraw/zinc/68/87/93/207688793.db2.gz NZZDNHFATVSYKU-GFCCVEGCSA-N 0 0 338.408 0.778 10 0 ECAERN CNc1cc(N2CCC[C@@H]2CNC(=O)C(=O)NCC2CC2)ncn1 ZINC000191880189 533049046 /nfs/dbraw/zinc/04/90/46/533049046.db2.gz BZVKGPZXGIMPDT-GFCCVEGCSA-N 0 0 332.408 0.130 10 0 ECAERN COCC(=O)N(C)CC(=O)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000187734839 533052998 /nfs/dbraw/zinc/05/29/98/533052998.db2.gz YAZHNLLKKVCGJI-STQMWFEESA-N 0 0 326.418 0.387 10 0 ECAERN O=C(N[C@H]1CCc2ncnn2C1)[C@H]1CCCN1C(=O)C1CCCC1 ZINC000112650457 220364445 /nfs/dbraw/zinc/36/44/45/220364445.db2.gz UFSCVUMOPOWYEM-UONOGXRCSA-N 0 0 331.420 0.890 10 0 ECAERN COc1cccc2c1OC[C@@H](NC(=O)N[C@@H]1CCc3ncnn3C1)C2 ZINC000112748616 220397348 /nfs/dbraw/zinc/39/73/48/220397348.db2.gz UNAKPKKYHFJRLA-OLZOCXBDSA-N 0 0 343.387 0.904 10 0 ECAERN CN(CCCNC(=O)N[C@H]1CCc2ncnn2C1)CC(F)(F)F ZINC000112744084 220394540 /nfs/dbraw/zinc/39/45/40/220394540.db2.gz OQARGZFFBSRICF-JTQLQIEISA-N 0 0 334.346 0.776 10 0 ECAERN C[C@H](Oc1cccc(Cl)c1)C(=O)NC[C@H](O)CN1CCOCC1 ZINC000154148551 224211187 /nfs/dbraw/zinc/21/11/87/224211187.db2.gz GAVMRIPZVGKZRP-JSGCOSHPSA-N 0 0 342.823 0.917 10 0 ECAERN CCOCCN1CCN(C(=O)CCCNC(=O)C2CC2)C[C@@H]1C ZINC000117279713 221042646 /nfs/dbraw/zinc/04/26/46/221042646.db2.gz WJUNTMDIDJQPRT-AWEZNQCLSA-N 0 0 325.453 0.862 10 0 ECAERN COCCN1CCN(C(=O)NCC2CCN(C(C)=O)CC2)C[C@@H]1C ZINC000117493238 221071589 /nfs/dbraw/zinc/07/15/89/221071589.db2.gz PQTQQJVKPZZPCV-AWEZNQCLSA-N 0 0 340.468 0.607 10 0 ECAERN Cc1cnn(CCNC(=O)CCNS(=O)(=O)c2cccnc2)c1 ZINC000117817579 221092549 /nfs/dbraw/zinc/09/25/49/221092549.db2.gz BKSZYRLAJZBPGS-UHFFFAOYSA-N 0 0 337.405 0.071 10 0 ECAERN Cc1cnn(CCNC(=O)CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)c1 ZINC000117817110 221092771 /nfs/dbraw/zinc/09/27/71/221092771.db2.gz RKBHFFYJGBFILL-SUMWQHHRSA-N 0 0 347.419 0.808 10 0 ECAERN CCn1c2ccc(C(=O)NCCn3cc(C)cn3)cc2[nH]c(=O)c1=O ZINC000117814496 221092998 /nfs/dbraw/zinc/09/29/98/221092998.db2.gz JHXQTBVMUHNPQG-UHFFFAOYSA-N 0 0 341.371 0.645 10 0 ECAERN CN1CCO[C@@H](CNC(=O)C(=O)Nc2ccccc2N2CCCC2)C1 ZINC000118115657 221122082 /nfs/dbraw/zinc/12/20/82/221122082.db2.gz VACHNMQCBHEQBV-AWEZNQCLSA-N 0 0 346.431 0.672 10 0 ECAERN CCc1noc([C@@H](C)N2CCN(C[C@H](C)CS(C)(=O)=O)CC2)n1 ZINC000118993255 221219768 /nfs/dbraw/zinc/21/97/68/221219768.db2.gz SEJUAJUDVLGSFZ-QWHCGFSZSA-N 0 0 344.481 0.991 10 0 ECAERN CCS(=O)(=O)c1cccc(C(=O)NC[C@H](C)N2CCOCC2)c1 ZINC000119092395 221242395 /nfs/dbraw/zinc/24/23/95/221242395.db2.gz SRMVQJPTJCLYAU-ZDUSSCGKSA-N 0 0 340.445 0.931 10 0 ECAERN CC[C@H]1CN(C(=O)C(=O)Nc2ccc(C)nc2)CCN1CCOC ZINC000119415124 221315133 /nfs/dbraw/zinc/31/51/33/221315133.db2.gz SOUPMFSGSBKSBM-HNNXBMFYSA-N 0 0 334.420 0.898 10 0 ECAERN O=C(Cn1ncc(=O)c2ccccc21)N1CCOC2(CCOCC2)C1 ZINC000119419580 221316222 /nfs/dbraw/zinc/31/62/22/221316222.db2.gz KKJDXUAVOBXTGF-UHFFFAOYSA-N 0 0 343.383 0.805 10 0 ECAERN CN1C[C@@H]2CCN(C(=O)COc3ccccc3)CC[C@@H]2S1(=O)=O ZINC000248128673 257663844 /nfs/dbraw/zinc/66/38/44/257663844.db2.gz MODZQRMPIKMWKV-ZFWWWQNUSA-N 0 0 338.429 0.948 10 0 ECAERN COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CNC(=O)C1 ZINC000186912478 533297832 /nfs/dbraw/zinc/29/78/32/533297832.db2.gz ULNJVBPIZCLKPY-FZMZJTMJSA-N 0 0 329.356 0.504 10 0 ECAERN O=C([C@@H]1CC(F)(F)CN1)N1CCS(=O)(=O)C2(CCCCC2)C1 ZINC000263307513 304295639 /nfs/dbraw/zinc/29/56/39/304295639.db2.gz YCWWYYJWZGHMRW-NSHDSACASA-N 0 0 336.404 0.944 10 0 ECAERN CNS(=O)(=O)c1cccc2c1CCN([C@@H]1COC[C@@H]1OC)C2 ZINC000333694745 297147609 /nfs/dbraw/zinc/14/76/09/297147609.db2.gz MZDOKYMICHONFX-KGLIPLIRSA-N 0 0 326.418 0.367 10 0 ECAERN C[C@@H](NC(=O)c1ccco1)C(=O)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000054016227 164561917 /nfs/dbraw/zinc/56/19/17/164561917.db2.gz VOWZPALSZGUYDI-CHWSQXEVSA-N 0 0 343.387 0.973 10 0 ECAERN Cc1ccn(C)c(=O)c1NC(=O)C(=O)N[C@H]1COc2ccccc21 ZINC000091215954 164643293 /nfs/dbraw/zinc/64/32/93/164643293.db2.gz CCBFWUAHBPLLDM-LBPRGKRZSA-N 0 0 327.340 0.882 10 0 ECAERN C[C@H]1CN(C(=O)CS(=O)(=O)C(C)(C)C)C[C@@H]1N1CCOCC1 ZINC000154578697 164766574 /nfs/dbraw/zinc/76/65/74/164766574.db2.gz GSFNVRVIDXCGKK-STQMWFEESA-N 0 0 332.466 0.379 10 0 ECAERN CCc1noc([C@H](C)N2CCN(C(=O)[C@@H]3CSCN3)CC2)n1 ZINC000168146780 164822306 /nfs/dbraw/zinc/82/23/06/164822306.db2.gz CPGOLCBUQVOJBD-QWRGUYRKSA-N 0 0 325.438 0.500 10 0 ECAERN CC(C)NS(=O)(=O)CCNC(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000172571445 164844817 /nfs/dbraw/zinc/84/48/17/164844817.db2.gz UYDCCZQYDFQVMR-UHFFFAOYSA-N 0 0 343.453 0.627 10 0 ECAERN Cc1cc(N2CCC[C@H](NC(=O)c3cnn(C)c3C)C2=O)n(C)n1 ZINC000174990555 164876388 /nfs/dbraw/zinc/87/63/88/164876388.db2.gz PZJLVTHUZQTWQP-ZDUSSCGKSA-N 0 0 330.392 0.696 10 0 ECAERN CNC(=O)[C@H](NC(=O)c1cc(-c2c(C)nn(C)c2C)n[nH]1)C(C)C ZINC000178699159 164918854 /nfs/dbraw/zinc/91/88/54/164918854.db2.gz OWVLMTYVTQINHM-CQSZACIVSA-N 0 0 332.408 0.927 10 0 ECAERN COCCN(C)S(=O)(=O)N[C@H]1CCc2nnc(C(C)C)n2C1 ZINC000181733372 164946903 /nfs/dbraw/zinc/94/69/03/164946903.db2.gz LVUFJMZGYBWSEY-NSHDSACASA-N 0 0 331.442 0.129 10 0 ECAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)c1ccc2nnn(C)c2c1 ZINC000184941435 164968124 /nfs/dbraw/zinc/96/81/24/164968124.db2.gz ZCNZGVLHXUNMBR-GFCCVEGCSA-N 0 0 341.375 0.971 10 0 ECAERN C[C@@H]1C(=O)NCCCN1C(=O)c1ccc2c(c1)NC(=O)CCN2C ZINC000188867565 165003004 /nfs/dbraw/zinc/00/30/04/165003004.db2.gz KABZDNWBDPMKFI-LLVKDONJSA-N 0 0 330.388 0.816 10 0 ECAERN CCO[C@@H]1C[C@@](CO)(NC(=O)N[C@@H]2CCc3ncnn3C2)C1(C)C ZINC000188856214 165003403 /nfs/dbraw/zinc/00/34/03/165003403.db2.gz OHDQILPQPBBFSE-HSMVNMDESA-N 0 0 337.424 0.458 10 0 ECAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NC[C@H](O)c1ccc2ccccc2c1 ZINC000189292160 165008073 /nfs/dbraw/zinc/00/80/73/165008073.db2.gz XLSIYEMTMXNAOJ-KURKYZTESA-N 0 0 342.395 0.971 10 0 ECAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCc1cc(Cl)cc2c1OCC2 ZINC000189409702 165009895 /nfs/dbraw/zinc/00/98/95/165009895.db2.gz KKWDHAYLOXFYKL-ZIAGYGMSSA-N 0 0 338.791 0.873 10 0 ECAERN Cc1ccc(CNC(=O)[C@H]2CNC(=O)C2)c(-n2cc(Cl)cn2)n1 ZINC000190328139 165019339 /nfs/dbraw/zinc/01/93/39/165019339.db2.gz PJXGSTCAAKSPGK-LLVKDONJSA-N 0 0 333.779 0.981 10 0 ECAERN CCN(C)C(=O)[C@H](C)NC(=O)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000190797187 165026077 /nfs/dbraw/zinc/02/60/77/165026077.db2.gz JMMLWUNQCPENME-RYUDHWBXSA-N 0 0 336.440 0.882 10 0 ECAERN CCn1c(=O)[nH]c2cc(C(=O)N3CCCNC(=O)[C@@H]3C)ccc2c1=O ZINC000191765967 165037499 /nfs/dbraw/zinc/03/74/99/165037499.db2.gz IQBPHOWOLIQCLK-JTQLQIEISA-N 0 0 344.371 0.060 10 0 ECAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N[C@@H](C)CC(=O)c1ccc(F)cc1 ZINC000193559049 165055037 /nfs/dbraw/zinc/05/50/37/165055037.db2.gz VQUHJFQXSOBSBY-COLVAYQJSA-N 0 0 336.363 0.885 10 0 ECAERN CCS(=O)(=O)c1ccccc1C(=O)NC[C@H]1CN(C)CCO1 ZINC000194614662 165068296 /nfs/dbraw/zinc/06/82/96/165068296.db2.gz IBENLKNXWYFEFU-LBPRGKRZSA-N 0 0 326.418 0.541 10 0 ECAERN CN1CCO[C@@H](CNC(=O)COc2ccc3ccc(=O)oc3c2)C1 ZINC000194619695 165068442 /nfs/dbraw/zinc/06/84/42/165068442.db2.gz NFTAZAJKOMRPJI-AWEZNQCLSA-N 0 0 332.356 0.619 10 0 ECAERN O=C(c1ccccc1F)N1CCCN(C(=O)[C@@H]2CNC(=O)C2)CC1 ZINC000194865821 165072198 /nfs/dbraw/zinc/07/21/98/165072198.db2.gz ZTNDIEZIMFLSES-LBPRGKRZSA-N 0 0 333.363 0.636 10 0 ECAERN CC(C)n1nnnc1CN1CCN(Cc2nnnn2C(C)C)CC1 ZINC000195009589 165073242 /nfs/dbraw/zinc/07/32/42/165073242.db2.gz SAFGGHAFLBFEII-UHFFFAOYSA-N 0 0 334.432 0.139 10 0 ECAERN C[C@H](NC(=O)CN1CC[C@H](CNc2ccccn2)C1)C(=O)N(C)C ZINC000195516001 165083753 /nfs/dbraw/zinc/08/37/53/165083753.db2.gz BBPVAIDXZPXSBW-UONOGXRCSA-N 0 0 333.436 0.408 10 0 ECAERN C[C@H](C(=O)N(C)CC(=O)NC1CC1)N1CCC(c2ccnn2C)CC1 ZINC000195504606 165085436 /nfs/dbraw/zinc/08/54/36/165085436.db2.gz PYRMXROZLSCZPC-CYBMUJFWSA-N 0 0 347.463 0.725 10 0 ECAERN COC[C@H](O)CCNC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 ZINC000245733442 165113850 /nfs/dbraw/zinc/11/38/50/165113850.db2.gz JXFGUSUUJVUYJE-IJEWVQPXSA-N 0 0 338.379 0.859 10 0 ECAERN CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)N2CC[C@@H](c3cnn(C)c3)C2)O1 ZINC000246089056 165122756 /nfs/dbraw/zinc/12/27/56/165122756.db2.gz NNJBAYTXRTVNDP-SNPRPXQTSA-N 0 0 349.435 0.555 10 0 ECAERN CCOCCN1CCN(C(=O)[C@H](C)NC(=O)c2ccoc2)C[C@H]1C ZINC000246940069 165147069 /nfs/dbraw/zinc/14/70/69/165147069.db2.gz CHHQUXABHQFJOY-KGLIPLIRSA-N 0 0 337.420 0.967 10 0 ECAERN CC[C@H](C)NC(=O)CCNC(=O)N1CCN(CCOC)[C@@H](C)C1 ZINC000246985178 165149573 /nfs/dbraw/zinc/14/95/73/165149573.db2.gz FUBBXNSCPKGAOU-KBPBESRZSA-N 0 0 328.457 0.653 10 0 ECAERN CCNS(=O)(=O)NC[C@H](c1cccs1)N1CCO[C@@H](C)C1 ZINC000248356512 165172318 /nfs/dbraw/zinc/17/23/18/165172318.db2.gz OKOXKRVSUGPIOE-NWDGAFQWSA-N 0 0 333.479 0.954 10 0 ECAERN CCN(CC1CC1)S(=O)(=O)N1CCOC[C@H]1c1nc(C)no1 ZINC000248617276 165181869 /nfs/dbraw/zinc/18/18/69/165181869.db2.gz AUOKYZGDXUECKZ-LBPRGKRZSA-N 0 0 330.410 0.728 10 0 ECAERN CC(C)[C@H](C(=O)N1CC(NC(=O)C2CC2)C1)N1C[C@@H](C)O[C@H](C)C1 ZINC000250067084 165202500 /nfs/dbraw/zinc/20/25/00/165202500.db2.gz NNQCJJYTKAPNFO-XJKCOSOUSA-N 0 0 337.464 0.857 10 0 ECAERN CN[C@@H](C(=O)N[C@@H](C)c1ccc2c(c1)NC(=O)CO2)c1cnn(C)c1 ZINC000262034714 165277981 /nfs/dbraw/zinc/27/79/81/165277981.db2.gz FMHLHFVUGNYUBV-MGPLVRAMSA-N 0 0 343.387 0.889 10 0 ECAERN C[N@@H+](CC(=O)[O-])C[C@@H]1CN(c2cc(N3CCCCC3)ncn2)CCO1 ZINC000262103910 165290799 /nfs/dbraw/zinc/29/07/99/165290799.db2.gz JFBQDGPJBLAHMP-CQSZACIVSA-N 0 0 349.435 0.689 10 0 ECAERN CCC[C@H]([NH2+][C@@H](C)C(=O)N(CCC)[C@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000262294177 165323748 /nfs/dbraw/zinc/32/37/48/165323748.db2.gz OJEZWNAMHGXZJA-AVGNSLFASA-N 0 0 348.465 0.644 10 0 ECAERN CCC[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1)C(=O)[O-] ZINC000262298972 165325741 /nfs/dbraw/zinc/32/57/41/165325741.db2.gz PRPHZNYKEJAJQL-JOYOIKCWSA-N 0 0 343.405 0.504 10 0 ECAERN CCc1nsc(N2CCCN(C(=O)[C@H]3NCCO[C@@H]3C)CC2)n1 ZINC000262372525 165340223 /nfs/dbraw/zinc/34/02/23/165340223.db2.gz WGLYOMDYMXWSDV-YPMHNXCESA-N 0 0 339.465 0.516 10 0 ECAERN C[C@H]1OCCN[C@@H]1C(=O)N(C)Cc1ccc(S(C)(=O)=O)cc1 ZINC000262380892 165341736 /nfs/dbraw/zinc/34/17/36/165341736.db2.gz XANDVJXSVCYFOH-RISCZKNCSA-N 0 0 326.418 0.425 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NS(=O)(=O)c2cn(C(C)C)cn2)C1 ZINC000262449462 165351667 /nfs/dbraw/zinc/35/16/67/165351667.db2.gz DXYOLWUGYPKLQQ-UHFFFAOYSA-N 0 0 344.437 0.680 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NS(=O)(=O)c2c(C)noc2C)C1 ZINC000262454045 165351935 /nfs/dbraw/zinc/35/19/35/165351935.db2.gz GTQIYSIOPZYUBJ-UHFFFAOYSA-N 0 0 331.394 0.507 10 0 ECAERN CC[C@H](OC1CCCC1)C(=O)N1CCO[C@@H](C[N@H+](C)CC(=O)[O-])C1 ZINC000262817948 165391206 /nfs/dbraw/zinc/39/12/06/165391206.db2.gz GNIXMWYPSXTUCJ-GJZGRUSLSA-N 0 0 342.436 0.968 10 0 ECAERN O=C([O-])C[N@H+](CC1CC1)C1CC(NC(=O)[C@@H]2CSC(=O)N2)C1 ZINC000262820865 165391342 /nfs/dbraw/zinc/39/13/42/165391342.db2.gz PQYVGHMKGWVTIQ-ILDUYXDCSA-N 0 0 327.406 0.255 10 0 ECAERN CC[C@@H](OC1CCCC1)C(=O)N1CCO[C@@H](C[N@H+](C)CC(=O)[O-])C1 ZINC000262817954 165391739 /nfs/dbraw/zinc/39/17/39/165391739.db2.gz GNIXMWYPSXTUCJ-LSDHHAIUSA-N 0 0 342.436 0.968 10 0 ECAERN CS(=O)(=O)Nc1cccc(CNC(=O)[C@@H]2CC(F)(F)CN2)c1 ZINC000262893656 165398156 /nfs/dbraw/zinc/39/81/56/165398156.db2.gz CTRMQVOBYHJDOY-NSHDSACASA-N 0 0 333.360 0.672 10 0 ECAERN O=C(COc1ccc(F)cc1)N1CCC[C@H]1Cn1cc(CO)nn1 ZINC000299743343 296881175 /nfs/dbraw/zinc/88/11/75/296881175.db2.gz KLAGXEFCVZIBDU-AWEZNQCLSA-N 0 0 334.351 0.980 10 0 ECAERN C[C@H](CO)N1CCN(c2cnn(C)c(=O)c2Br)CC1 ZINC000301237140 296884229 /nfs/dbraw/zinc/88/42/29/296884229.db2.gz MEGQTDRWZWQISU-SECBINFHSA-N 0 0 331.214 0.046 10 0 ECAERN Cn1cc(CNC(=O)N[C@@H]2CCc3ncnn3C2)c(C(F)(F)F)n1 ZINC000159057670 225136810 /nfs/dbraw/zinc/13/68/10/225136810.db2.gz FDSNNJJDDVXQEC-SECBINFHSA-N 0 0 343.313 0.845 10 0 ECAERN CC(C)(C)c1noc(CCC(=O)NC[C@@H](O)CN2CCOCC2)n1 ZINC000123560692 222296853 /nfs/dbraw/zinc/29/68/53/222296853.db2.gz YTRNJANLJPCQQN-GFCCVEGCSA-N 0 0 340.424 0.109 10 0 ECAERN O=C(NC[C@@H](O)CN1CCOCC1)c1cc(-c2ccccc2)no1 ZINC000123558789 222297404 /nfs/dbraw/zinc/29/74/04/222297404.db2.gz USLUVFQHWZMUFR-CQSZACIVSA-N 0 0 331.372 0.765 10 0 ECAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)c1ccc(OCC(N)=O)cc1 ZINC000124088182 222373667 /nfs/dbraw/zinc/37/36/67/222373667.db2.gz YGEHDJRMWYEWEZ-CYBMUJFWSA-N 0 0 343.387 0.970 10 0 ECAERN CCn1cc(NC(=O)C(=O)N2CCC[C@@H]2c2cnn(C)c2)ccc1=O ZINC000124236270 222396608 /nfs/dbraw/zinc/39/66/08/222396608.db2.gz ZIQQHZOCRURJPD-CQSZACIVSA-N 0 0 343.387 0.904 10 0 ECAERN NC(=O)Cn1cc(NC(=O)C(=O)N[C@@H]2CCCc3ccccc32)cn1 ZINC000193492879 263167115 /nfs/dbraw/zinc/16/71/15/263167115.db2.gz QYHCGSARKAHRNE-CQSZACIVSA-N 0 0 341.371 0.501 10 0 ECAERN CCc1noc([C@@H](C)N2CCN(c3ccc(C(=O)NC)nn3)CC2)n1 ZINC000266848135 263179449 /nfs/dbraw/zinc/17/94/49/263179449.db2.gz PXKMCTGJBUFFJQ-LLVKDONJSA-N 0 0 345.407 0.665 10 0 ECAERN Cn1cc(C(=O)N2CC[C@](O)(c3cn[nH]n3)C2)c(-c2ccccc2)n1 ZINC000284570914 264228994 /nfs/dbraw/zinc/22/89/94/264228994.db2.gz JCYCVZPROHSMDR-QGZVFWFLSA-N 0 0 338.371 0.939 10 0 ECAERN COC[C@@H]1C[C@H](OC)CN1C(=O)Cc1ccc(-n2cnnn2)cc1 ZINC000284595955 264231997 /nfs/dbraw/zinc/23/19/97/264231997.db2.gz MTCTWSGRYCITDG-GJZGRUSLSA-N 0 0 331.376 0.467 10 0 ECAERN NC(=O)[C@]1(O)CCCN(C(=O)c2ccc(Br)cc2O)C1 ZINC000285681163 264332351 /nfs/dbraw/zinc/33/23/51/264332351.db2.gz VZVAWMPZMNHXHY-ZDUSSCGKSA-N 0 0 343.177 0.607 10 0 ECAERN COc1cc(C)c(NC(=O)C(=O)N[C@H]2CCc3ncnn3C2)cc1F ZINC000184942229 277805367 /nfs/dbraw/zinc/80/53/67/277805367.db2.gz NKVCAIURSIBUJV-JTQLQIEISA-N 0 0 347.350 0.804 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)C(=O)N2CCc3c2cccc3F)CC1 ZINC000189457062 437601251 /nfs/dbraw/zinc/60/12/51/437601251.db2.gz KFXNJMPEKVRLKO-CYBMUJFWSA-N 0 0 349.406 0.630 10 0 ECAERN Cc1nc2ncnn2c(C)c1CCC(=O)N1CC(NC(=O)C2CC2)C1 ZINC000189496578 437602983 /nfs/dbraw/zinc/60/29/83/437602983.db2.gz HPSWSSVXGWFDTH-UHFFFAOYSA-N 0 0 342.403 0.411 10 0 ECAERN CC(=O)NC1CN(C(=O)NCc2cccc(Cn3cccn3)c2)C1 ZINC000189943148 437614433 /nfs/dbraw/zinc/61/44/33/437614433.db2.gz PBWAOOMGEWZKFC-UHFFFAOYSA-N 0 0 327.388 0.961 10 0 ECAERN CCS(=O)(=O)N1CC(CNC(=O)N[C@H]2CCCC[C@H]2CO)C1 ZINC000333069694 297106528 /nfs/dbraw/zinc/10/65/28/297106528.db2.gz ONSKAJUGGCYVAO-STQMWFEESA-N 0 0 333.454 0.118 10 0 ECAERN Cc1nc2c(nccc2C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](CO)C2)[nH]1 ZINC000333088207 297108492 /nfs/dbraw/zinc/10/84/92/297108492.db2.gz SBEBAICVPXWBBB-JSGCOSHPSA-N 0 0 340.387 0.848 10 0 ECAERN CC1(C)CN(C(=O)[C@@H]2CCCN2C(N)=O)C[C@]2(CCCOC2)O1 ZINC000333249772 297121038 /nfs/dbraw/zinc/12/10/38/297121038.db2.gz KAVDDQFDVPUEEL-LRDDRELGSA-N 0 0 325.409 0.716 10 0 ECAERN O=C([C@H]1CC(=O)Nc2ccccc21)N1CCC[C@]2(C1)NC(=O)NC2=O ZINC000333340641 297126570 /nfs/dbraw/zinc/12/65/70/297126570.db2.gz SRQUIYLQAGYUDR-APPDUMDISA-N 0 0 342.355 0.313 10 0 ECAERN CCS(=O)(=O)N1CC(CNC(=O)c2ncoc2[C@@H]2CCCO2)C1 ZINC000333385215 297130090 /nfs/dbraw/zinc/13/00/90/297130090.db2.gz BMPWYJLCUGGEJB-NSHDSACASA-N 0 0 343.405 0.537 10 0 ECAERN COc1c(CNC(=O)N2CCS(=O)(=O)C[C@@H](C)C2)c(C)nn1C ZINC000333438550 297134221 /nfs/dbraw/zinc/13/42/21/297134221.db2.gz LJXHBMXSEKJMBX-JTQLQIEISA-N 0 0 344.437 0.313 10 0 ECAERN O=C(CN1CCOCC1)N1CCN(c2cnc3c(n2)CCCC3)CC1 ZINC000333622998 297145606 /nfs/dbraw/zinc/14/56/06/297145606.db2.gz ZUOXHMYDCMBGIM-UHFFFAOYSA-N 0 0 345.447 0.336 10 0 ECAERN CN(C(=O)[C@@H]1CSCN1C(=O)CC(C)(C)C)c1nnnn1C ZINC000333879100 297153599 /nfs/dbraw/zinc/15/35/99/297153599.db2.gz REEOWEPBDCHJMV-VIFPVBQESA-N 0 0 326.426 0.511 10 0 ECAERN CC(C)[C@@H]1N(C(=O)NCC(=O)N2CCOCC2)C[C@@]12CCCO2 ZINC000334011910 297158626 /nfs/dbraw/zinc/15/86/26/297158626.db2.gz VUZRKOLOQMIMJW-HOCLYGCPSA-N 0 0 325.409 0.444 10 0 ECAERN CCO[C@@H]1COC[C@H]1NC(=O)N1CCCNC(=O)[C@@H]1CC(C)C ZINC000334090077 297162940 /nfs/dbraw/zinc/16/29/40/297162940.db2.gz NSDSDNORPNFUJW-HZSPNIEDSA-N 0 0 327.425 0.737 10 0 ECAERN COC(=O)CSc1nnc(N)n1CC(=O)NCc1ccco1 ZINC000001923452 435961772 /nfs/dbraw/zinc/96/17/72/435961772.db2.gz IUERUOQJOOBSFP-UHFFFAOYSA-N 0 0 325.350 0.035 10 0 ECAERN C[C@@H](CNC(=O)C(=O)c1cnn(-c2ccccc2)c1)N1CCOCC1 ZINC000071107555 436004265 /nfs/dbraw/zinc/00/42/65/436004265.db2.gz QLGAZVXSMOJWBJ-AWEZNQCLSA-N 0 0 342.399 0.892 10 0 ECAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1 ZINC000370275862 300811415 /nfs/dbraw/zinc/81/14/15/300811415.db2.gz RGFURQCBYHUVAT-XEZLXBQYSA-N 0 0 332.408 0.730 10 0 ECAERN CN(C)S(=O)(=O)c1ccc(C(=O)NC[C@@H]2CC(=O)N(C)C2)cc1 ZINC000074863033 436142232 /nfs/dbraw/zinc/14/22/32/436142232.db2.gz ZRFKHDDDHRVLDB-NSHDSACASA-N 0 0 339.417 0.145 10 0 ECAERN COC[C@@H](O)CN1CCO[C@H](COc2ccc3c(c2)OCO3)C1 ZINC000034670858 436255615 /nfs/dbraw/zinc/25/56/15/436255615.db2.gz RGLUMBGKDIUBEE-JSGCOSHPSA-N 0 0 325.361 0.502 10 0 ECAERN CCOC(=O)Cn1c2cccnc2n(Cc2ccncc2)c(=O)c1=O ZINC000045796012 436375635 /nfs/dbraw/zinc/37/56/35/436375635.db2.gz NPMNOJMNKGUSRF-UHFFFAOYSA-N 0 0 340.339 0.565 10 0 ECAERN O=C1NC(=O)[C@@]2(CCN(S(=O)(=O)c3ccc(Cl)s3)C2)N1 ZINC000084796561 436386634 /nfs/dbraw/zinc/38/66/34/436386634.db2.gz YUEXIRZQQPTEGE-JTQLQIEISA-N 0 0 335.794 0.374 10 0 ECAERN NC(=O)[C@@H]1COCCN1C(=O)c1cnn(Cc2ccccc2Cl)c1 ZINC000091779235 436461163 /nfs/dbraw/zinc/46/11/63/436461163.db2.gz LPIWZVFUQPDTHL-AWEZNQCLSA-N 0 0 348.790 0.911 10 0 ECAERN CC(C)(C)NC(=O)NC(=O)CN1CCCN(c2cccnn2)CC1 ZINC000105798195 436577630 /nfs/dbraw/zinc/57/76/30/436577630.db2.gz VXPQREDUWJPXJE-UHFFFAOYSA-N 0 0 334.424 0.613 10 0 ECAERN COCCc1noc(CO[C@H]2CCCN(C(=O)c3ccnn3C)C2)n1 ZINC000097942616 436544160 /nfs/dbraw/zinc/54/41/60/436544160.db2.gz LIKNLXRDCWTVTG-LBPRGKRZSA-N 0 0 349.391 0.813 10 0 ECAERN CCn1ccc(C(=O)N2CC[C@H](n3c(=O)[nH]c4cncnc43)C2)n1 ZINC000097940709 436544322 /nfs/dbraw/zinc/54/43/22/436544322.db2.gz YJNRZZNYXCUCNO-JTQLQIEISA-N 0 0 327.348 0.423 10 0 ECAERN Cc1nn(C)c(C)c1CN1CCN(CCNC(=O)NC(C)C)CC1 ZINC000104955289 436567819 /nfs/dbraw/zinc/56/78/19/436567819.db2.gz HLPNPUMVUQOMLJ-UHFFFAOYSA-N 0 0 336.484 0.862 10 0 ECAERN CCOc1ccnc(N2CCN(C(=O)Cc3cnn(C)c3)CC2)n1 ZINC000105820125 436579908 /nfs/dbraw/zinc/57/99/08/436579908.db2.gz UKMGRUGYKXZFBW-UHFFFAOYSA-N 0 0 330.392 0.500 10 0 ECAERN CN1CCO[C@H](CNC(=O)N2CCCN(CC(F)(F)F)CC2)C1 ZINC000105282184 436570926 /nfs/dbraw/zinc/57/09/26/436570926.db2.gz MJJYRTPDWNTJQG-GFCCVEGCSA-N 0 0 338.374 0.597 10 0 ECAERN C[C@H](C(=O)NC(=O)NC1CC1)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000105869563 436583348 /nfs/dbraw/zinc/58/33/48/436583348.db2.gz VOJOPUWVVGYUJG-CYBMUJFWSA-N 0 0 348.451 0.305 10 0 ECAERN CCc1nccn1[C@H]1CCCN(C(=O)[C@H](C)NS(C)(=O)=O)C1 ZINC000105882465 436584429 /nfs/dbraw/zinc/58/44/29/436584429.db2.gz KOROQARQIVQHFB-RYUDHWBXSA-N 0 0 328.438 0.547 10 0 ECAERN Cn1cc(CN2CCCN(CC(=O)NC[C@@H]3CCCO3)CC2)cn1 ZINC000105917743 436587107 /nfs/dbraw/zinc/58/71/07/436587107.db2.gz DFOYHCFQDAZJFO-INIZCTEOSA-N 0 0 335.452 0.223 10 0 ECAERN CN(C)c1nc(N)nc(CN2CCCN(c3cccnn3)CC2)n1 ZINC000106070202 436589904 /nfs/dbraw/zinc/58/99/04/436589904.db2.gz SGFWBGDWLOIFOO-UHFFFAOYSA-N 0 0 329.412 0.022 10 0 ECAERN Cc1nn(C)c(C)c1CN1CCN(C(=O)[C@@H]2CCN(C)C(=O)C2)CC1 ZINC000115388719 436646802 /nfs/dbraw/zinc/64/68/02/436646802.db2.gz OUTWGTRXVFKJDJ-OAHLLOKOSA-N 0 0 347.463 0.550 10 0 ECAERN CNS(=O)(=O)c1ccc(C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)o1 ZINC000151351810 436702315 /nfs/dbraw/zinc/70/23/15/436702315.db2.gz ULLXKUQBYQVEOQ-IAQYHMDHSA-N 0 0 342.417 0.955 10 0 ECAERN Cn1ccnc1C[C@@H]1CCCN(C(=O)N[C@@H]2CCc3ncnn3C2)C1 ZINC000141491186 436671167 /nfs/dbraw/zinc/67/11/67/436671167.db2.gz OLTABQREBKPJAF-UONOGXRCSA-N 0 0 343.435 0.991 10 0 ECAERN CN1CCO[C@@H](CNS(=O)(=O)c2cccc3nsnc32)C1 ZINC000194773058 436672425 /nfs/dbraw/zinc/67/24/25/436672425.db2.gz UHQIXLDUKHFULT-VIFPVBQESA-N 0 0 328.419 0.300 10 0 ECAERN Cc1cc(NC(=O)NC[C@H](O)CN2CCOCC2)ccc1N(C)C ZINC000119939229 436674037 /nfs/dbraw/zinc/67/40/37/436674037.db2.gz JGDCMXGSPAJVAQ-HNNXBMFYSA-N 0 0 336.436 0.876 10 0 ECAERN COC(=O)c1ccc2nc(-n3cccn3)nc(N3CCOCC3)c2n1 ZINC000147435471 436681810 /nfs/dbraw/zinc/68/18/10/436681810.db2.gz OMWAVHZPKWVPHZ-UHFFFAOYSA-N 0 0 340.343 0.834 10 0 ECAERN O=C1N[C@]2(C(=O)Nc3c2c(Cl)ccc3Cl)N2CCOC[C@H]12 ZINC000195268971 436685369 /nfs/dbraw/zinc/68/53/69/436685369.db2.gz XVGLVENWZXIJEK-OQPBUACISA-N 0 0 328.155 0.929 10 0 ECAERN CCCNC(=O)CN(C)C(=O)CN1CC[C@@H](Oc2cccnc2)C1 ZINC000152352567 436728294 /nfs/dbraw/zinc/72/82/94/436728294.db2.gz VMPWFXRMIBMVMZ-OAHLLOKOSA-N 0 0 334.420 0.519 10 0 ECAERN O=C(CO)N1CCN(C[C@@H](O)COCc2ccc(Cl)cc2)CC1 ZINC000152410476 436729445 /nfs/dbraw/zinc/72/94/45/436729445.db2.gz XLUAULQPIKBBET-OAHLLOKOSA-N 0 0 342.823 0.354 10 0 ECAERN C[C@@H](NC(=O)NC[C@@H]1CN(C)CCO1)c1ccc(-n2ccnn2)cc1 ZINC000124509796 436751615 /nfs/dbraw/zinc/75/16/15/436751615.db2.gz UWYLUIABJHWQOZ-CZUORRHYSA-N 0 0 344.419 0.958 10 0 ECAERN Cn1c(=O)ccn(CC(=O)N[C@H]2CCCc3cc(F)ccc32)c1=O ZINC000153260426 436753506 /nfs/dbraw/zinc/75/35/06/436753506.db2.gz FCNDRBHMDZEDRV-AWEZNQCLSA-N 0 0 331.347 0.880 10 0 ECAERN C[C@H](NC(=O)c1ccco1)C(=O)N[C@H]1CCCN(c2cccnn2)C1 ZINC000125039898 436762236 /nfs/dbraw/zinc/76/22/36/436762236.db2.gz MRESUHHTUTWNIP-STQMWFEESA-N 0 0 343.387 0.973 10 0 ECAERN COC(=O)c1cc(S(=O)(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)cn1C ZINC000245494135 436764273 /nfs/dbraw/zinc/76/42/73/436764273.db2.gz MXCOYPXQHDXBBW-DGCLKSJQSA-N 0 0 343.449 0.819 10 0 ECAERN COc1cc(Cl)ccc1C(=O)NC[C@@H](O)CN1CCOCC1 ZINC000128030926 436810891 /nfs/dbraw/zinc/81/08/91/436810891.db2.gz HVLKEKPAMAOVMH-GFCCVEGCSA-N 0 0 328.796 0.772 10 0 ECAERN Cc1c(Cl)cccc1OCC(=O)NC[C@H](O)CN1CCOCC1 ZINC000128051864 436811449 /nfs/dbraw/zinc/81/14/49/436811449.db2.gz WCAYKFARAAUFDS-ZDUSSCGKSA-N 0 0 342.823 0.837 10 0 ECAERN O=C(NC[C@H](O)CN1CCOCC1)c1cc(=O)[nH]c2cc(F)ccc21 ZINC000128061051 436811489 /nfs/dbraw/zinc/81/14/89/436811489.db2.gz CAAPGRGROZQHIY-LBPRGKRZSA-N 0 0 349.362 0.090 10 0 ECAERN O=C(CCCOc1ccc(F)cc1)NC[C@@H](O)CN1CCOCC1 ZINC000129008318 436822540 /nfs/dbraw/zinc/82/25/40/436822540.db2.gz AMGMBRHYRHILQN-OAHLLOKOSA-N 0 0 340.395 0.794 10 0 ECAERN C[C@H](NC(=O)C[C@@H]1NC(=O)NC1=O)c1cccc(-n2ccnc2)c1 ZINC000156555169 436817150 /nfs/dbraw/zinc/81/71/50/436817150.db2.gz WBCMLWQHKIWTMH-GWCFXTLKSA-N 0 0 327.344 0.648 10 0 ECAERN C[C@H](CNC(=O)N[C@@H](C)[C@@H](O)Cc1ccccc1)N1CCOCC1 ZINC000246074059 436772525 /nfs/dbraw/zinc/77/25/25/436772525.db2.gz DPQVGNBHFRRNKX-VYDXJSESSA-N 0 0 335.448 0.998 10 0 ECAERN C[C@H](NC(=O)N[C@H]1CCc2ncnn2C1)[C@H](O)Cc1ccccc1 ZINC000246164762 436774392 /nfs/dbraw/zinc/77/43/92/436774392.db2.gz YAXYLOVPHLMLNY-AEGPPILISA-N 0 0 329.404 0.884 10 0 ECAERN COCCN1CCN(C(=O)N[C@H]2CC(=O)N(C(C)(C)C)C2)C[C@H]1C ZINC000246452654 436778554 /nfs/dbraw/zinc/77/85/54/436778554.db2.gz FMOQEEOBBUUOHV-KGLIPLIRSA-N 0 0 340.468 0.748 10 0 ECAERN CCC[C@@](C)(O)C(=O)N1CCN(c2nc(C)nc3c2cnn3C)CC1 ZINC000126005688 436780594 /nfs/dbraw/zinc/78/05/94/436780594.db2.gz PCTLNAUAGPLTAN-QGZVFWFLSA-N 0 0 346.435 0.871 10 0 ECAERN CC(C)n1nccc1NC(=O)C(=O)N1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000247140508 436790681 /nfs/dbraw/zinc/79/06/81/436790681.db2.gz SVNRWWDZPJIUFB-STQMWFEESA-N 0 0 337.424 0.316 10 0 ECAERN COCCN(C)CCNS(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C ZINC000155493209 436796027 /nfs/dbraw/zinc/79/60/27/436796027.db2.gz XOUPRXUZYQAKPO-BBRMVZONSA-N 0 0 346.493 0.879 10 0 ECAERN COC(=O)[C@@H]1[C@H](c2ccccc2)C[C@](C)(O)C[C@@]12NNC(=S)N2 ZINC000248050263 436799541 /nfs/dbraw/zinc/79/95/41/436799541.db2.gz WZKAYSDIQCXBKS-GVAFMPQTSA-N 0 0 335.429 0.783 10 0 ECAERN COCCN(C)S(=O)(=O)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000253149609 436840233 /nfs/dbraw/zinc/84/02/33/436840233.db2.gz DPGYLDZXRGUTRQ-STQMWFEESA-N 0 0 334.463 0.579 10 0 ECAERN C[C@@H]1COC[C@H](C)N1C(=O)C1CCN(c2ccc3nncn3n2)CC1 ZINC000130875572 436843885 /nfs/dbraw/zinc/84/38/85/436843885.db2.gz QLCHWHGVKVSFJP-BETUJISGSA-N 0 0 344.419 0.977 10 0 ECAERN C[C@@H]1CN(S(=O)(=O)c2ccc(F)c(Cl)c2)C[C@@H](C(N)=O)O1 ZINC000131004700 436846278 /nfs/dbraw/zinc/84/62/78/436846278.db2.gz KYNQVYSVQOVGHV-HQJQHLMTSA-N 0 0 336.772 0.742 10 0 ECAERN COC(=O)Cn1cc(CC[N@@H+]2CC[C@H](Oc3cccnc3)C2)nn1 ZINC000157271725 436827067 /nfs/dbraw/zinc/82/70/67/436827067.db2.gz XGWFSVUDUMFXEX-HNNXBMFYSA-N 0 0 331.376 0.542 10 0 ECAERN CCCCN(C)S(=O)(=O)N[C@H]1CCCn2nc(COC)nc21 ZINC000129442670 436827150 /nfs/dbraw/zinc/82/71/50/436827150.db2.gz XXBLHINVBZLXTP-NSHDSACASA-N 0 0 331.442 0.826 10 0 ECAERN C[C@@H]1CN(C(=O)c2cn(Cc3cccs3)nn2)C[C@H](C(N)=O)O1 ZINC000157516903 436829778 /nfs/dbraw/zinc/82/97/78/436829778.db2.gz IRIFLTKYIKLZPD-BXKDBHETSA-N 0 0 335.389 0.103 10 0 ECAERN CC(C)CCn1ccc(NC(=O)C(=O)N[C@@H]2CCc3ncnn3C2)n1 ZINC000163479380 436924169 /nfs/dbraw/zinc/92/41/69/436924169.db2.gz QWVXENIFPPTHED-GFCCVEGCSA-N 0 0 345.407 0.590 10 0 ECAERN C[C@@](O)(CNC(=O)N[C@@H]1CCc2ncnn2C1)c1ccc(F)cc1 ZINC000134086017 436888201 /nfs/dbraw/zinc/88/82/01/436888201.db2.gz YSYBKMOXDGRYET-CZUORRHYSA-N 0 0 333.367 0.939 10 0 ECAERN CNC(=O)NCC(=O)NC[C@@H](c1cccs1)N1CCO[C@@H](C)C1 ZINC000134444721 436898815 /nfs/dbraw/zinc/89/88/15/436898815.db2.gz HLIDQBWVNQZPPN-RYUDHWBXSA-N 0 0 340.449 0.555 10 0 ECAERN CN1CCO[C@H](CNC(=O)N2CCCN(c3nccs3)CC2)C1 ZINC000170924059 436962353 /nfs/dbraw/zinc/96/23/53/436962353.db2.gz RXYGLHKFGGGUEN-CYBMUJFWSA-N 0 0 339.465 0.695 10 0 ECAERN COc1c(C)cc(S(=O)(=O)NC[C@@H]2CN(C)CCO2)cc1C ZINC000171094762 436966375 /nfs/dbraw/zinc/96/63/75/436966375.db2.gz VLFRLHPAIKCMBP-CYBMUJFWSA-N 0 0 328.434 0.921 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)N2CCOC[C@@H]2CCOC)C1 ZINC000263463570 436967024 /nfs/dbraw/zinc/96/70/24/436967024.db2.gz JLTGYMJBEHROIE-MOKVOYLWSA-N 0 0 343.424 0.371 10 0 ECAERN CN1CCO[C@H](CNC(=O)CN2CCN(Cc3ccccc3)CC2)C1 ZINC000171287922 436976184 /nfs/dbraw/zinc/97/61/84/436976184.db2.gz CJNGYUVCQIZJAK-GOSISDBHSA-N 0 0 346.475 0.251 10 0 ECAERN CN1CCO[C@@H](CNC(=O)CN2CCN(Cc3ccccc3)CC2)C1 ZINC000171287928 436976651 /nfs/dbraw/zinc/97/66/51/436976651.db2.gz CJNGYUVCQIZJAK-SFHVURJKSA-N 0 0 346.475 0.251 10 0 ECAERN Cn1cc([C@H]2CCCN2S(=O)(=O)c2cc(C(N)=O)n(C)c2)cn1 ZINC000171432443 436978532 /nfs/dbraw/zinc/97/85/32/436978532.db2.gz HGAXKXRCIXKGAK-GFCCVEGCSA-N 0 0 337.405 0.383 10 0 ECAERN O=C([C@H]1CC1(Cl)Cl)N1CCN(c2ccc3nncn3n2)CC1 ZINC000136422255 436930879 /nfs/dbraw/zinc/93/08/79/436930879.db2.gz MSEMCWUEIJTNHJ-SECBINFHSA-N 0 0 341.202 0.967 10 0 ECAERN O=C(NCCNS(=O)(=O)c1ccccc1)[C@H]1CC(F)(F)CN1 ZINC000262970516 436945963 /nfs/dbraw/zinc/94/59/63/436945963.db2.gz LSCXDJZVBZANHR-LLVKDONJSA-N 0 0 333.360 0.078 10 0 ECAERN Cc1ccc(S(=O)(=O)NCCNC(=O)[C@H]2CC(F)(F)CN2)cc1 ZINC000262998663 436948098 /nfs/dbraw/zinc/94/80/98/436948098.db2.gz OOLFVFXIOPHPNJ-GFCCVEGCSA-N 0 0 347.387 0.387 10 0 ECAERN COc1ccc(-n2cc(CNC(=O)[C@H]3CC(F)(F)CN3)nn2)cc1 ZINC000263192712 436954120 /nfs/dbraw/zinc/95/41/20/436954120.db2.gz IDISWPDMZMYPAX-CYBMUJFWSA-N 0 0 337.330 0.889 10 0 ECAERN CN1CCN(C(=O)CCNC(=O)N2CCC(c3cc[nH]n3)CC2)CC1 ZINC000172541223 437019695 /nfs/dbraw/zinc/01/96/95/437019695.db2.gz KDBDPZKLFZMYIW-UHFFFAOYSA-N 0 0 348.451 0.463 10 0 ECAERN CCOC(=O)C1CCN(C(=O)CN2CCC[C@H](n3cncn3)C2)CC1 ZINC000171616040 436983275 /nfs/dbraw/zinc/98/32/75/436983275.db2.gz JPYSPZMYUFSJTQ-HNNXBMFYSA-N 0 0 349.435 0.717 10 0 ECAERN CCOCCS(=O)(=O)N1CCN([C@H](C)c2nc(C)no2)CC1 ZINC000171769880 436988004 /nfs/dbraw/zinc/98/80/04/436988004.db2.gz KGCPDMMSBVNENI-LLVKDONJSA-N 0 0 332.426 0.423 10 0 ECAERN CCc1nnc(CN2CCC(CC(=O)N3CCN(C)CC3)CC2)n1C ZINC000171940922 436994004 /nfs/dbraw/zinc/99/40/04/436994004.db2.gz GENRAJXJXGKJRU-UHFFFAOYSA-N 0 0 348.495 0.754 10 0 ECAERN CC(C)NS(=O)(=O)CCNC(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000172121445 436999352 /nfs/dbraw/zinc/99/93/52/436999352.db2.gz ARIKZVBBEOWMCY-LBPRGKRZSA-N 0 0 343.453 0.247 10 0 ECAERN C[C@H](NC(=O)CCc1nc2c([nH]1)n(C)c(=O)[nH]c2=O)C1CCCC1 ZINC000172135845 437000357 /nfs/dbraw/zinc/00/03/57/437000357.db2.gz XFYFRQQKIOTSAC-VIFPVBQESA-N 0 0 333.392 0.577 10 0 ECAERN CCOCCN1CCN(C(=O)Cc2nc3ncccn3n2)C[C@H]1C ZINC000172218158 437003828 /nfs/dbraw/zinc/00/38/28/437003828.db2.gz GHVFXWISGWAUOG-CYBMUJFWSA-N 0 0 332.408 0.236 10 0 ECAERN CC(C)c1nnc2n1C[C@@H](NC(=O)C(C)(C)NS(C)(=O)=O)CC2 ZINC000173390261 437048226 /nfs/dbraw/zinc/04/82/26/437048226.db2.gz SAHBKLRYVSFTLX-JTQLQIEISA-N 0 0 343.453 0.160 10 0 ECAERN CNc1cc(N2CCC[C@@H]2CNC(=O)NC[C@@H](O)C(C)C)ncn1 ZINC000173429924 437049555 /nfs/dbraw/zinc/04/95/55/437049555.db2.gz JOKJHVSBOJFINX-CHWSQXEVSA-N 0 0 336.440 0.803 10 0 ECAERN CC(C)c1nnnn1CC(=O)N(C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000173443532 437051320 /nfs/dbraw/zinc/05/13/20/437051320.db2.gz IBCPYMIRCIXCPE-CYBMUJFWSA-N 0 0 344.423 0.714 10 0 ECAERN Cc1nnc([C@@H]2CN(C(=O)CCNC(=O)c3cccs3)CCO2)[nH]1 ZINC000173551860 437056775 /nfs/dbraw/zinc/05/67/75/437056775.db2.gz BYBVMQVLBNZZIK-NSHDSACASA-N 0 0 349.416 0.895 10 0 ECAERN Cc1nnc([C@@H]2CN(C(=O)Cn3c4ccccc4[nH]c3=O)CCO2)[nH]1 ZINC000173547122 437056851 /nfs/dbraw/zinc/05/68/51/437056851.db2.gz HXMDQJBROLXDPR-ZDUSSCGKSA-N 0 0 342.359 0.356 10 0 ECAERN Cc1nc(CN2CCCN(C(=O)NCCCn3cccn3)CC2)no1 ZINC000173730538 437061848 /nfs/dbraw/zinc/06/18/48/437061848.db2.gz ATFWDJVQPCLXCQ-UHFFFAOYSA-N 0 0 347.423 0.882 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1cccc(C(=O)NC)c1)CC2 ZINC000173767479 437062038 /nfs/dbraw/zinc/06/20/38/437062038.db2.gz QSAKUOVPWLNIJA-ZDUSSCGKSA-N 0 0 327.388 0.945 10 0 ECAERN Cc1nnc([C@H]2CN(S(=O)(=O)N3CCC[C@H](C)C3)CCO2)[nH]1 ZINC000173736906 437062071 /nfs/dbraw/zinc/06/20/71/437062071.db2.gz JLGFCKDCPCZLSF-CMPLNLGQSA-N 0 0 329.426 0.463 10 0 ECAERN CNC(=O)c1cccc(NC(=O)N2CC[C@@H](N3CCOCC3)C2)c1 ZINC000173785702 437064297 /nfs/dbraw/zinc/06/42/97/437064297.db2.gz GYLKJCKQRUTOOL-OAHLLOKOSA-N 0 0 332.404 0.985 10 0 ECAERN CCN1C[C@H](C(=O)N[C@H]2CCCN(c3cc(C)nn3C)C2=O)CC1=O ZINC000173067037 437037037 /nfs/dbraw/zinc/03/70/37/437037037.db2.gz XYPHJBJEIDFOMW-OLZOCXBDSA-N 0 0 347.419 0.209 10 0 ECAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)[C@H](C)CS(C)(=O)=O)CC2 ZINC000174996328 437092994 /nfs/dbraw/zinc/09/29/94/437092994.db2.gz GLLGKHKXKUTUCN-GHMZBOCLSA-N 0 0 328.438 0.513 10 0 ECAERN NC(=O)[C@@H]1CN(C(=O)c2cn3c(n2)CCCC3)C[C@H]1C(F)(F)F ZINC000299743636 437108609 /nfs/dbraw/zinc/10/86/09/437108609.db2.gz LURSCYGTZSLUHM-RKDXNWHRSA-N 0 0 330.310 0.955 10 0 ECAERN Cc1nnc([C@@H]2CN(C(=O)NCC[S@@](=O)C(C)(C)C)CCO2)[nH]1 ZINC000175546607 437108711 /nfs/dbraw/zinc/10/87/11/437108711.db2.gz IGWOBRLYPMSFHM-BSNNYGBQSA-N 0 0 343.453 0.743 10 0 ECAERN C[C@@H](CS(C)(=O)=O)C(=O)N(C)[C@H]1CCCN(c2cccnn2)C1 ZINC000176867220 437159994 /nfs/dbraw/zinc/15/99/94/437159994.db2.gz LJULJCQIRGIJIL-STQMWFEESA-N 0 0 340.449 0.585 10 0 ECAERN NS(=O)(=O)[C@H]1N=CC=C(I)[C@@H]1OC1CC1 ZINC000095734522 303442365 /nfs/dbraw/zinc/44/23/65/303442365.db2.gz QDFNVGDFFKJRIY-JGVFFNPUSA-N 0 0 342.158 0.552 10 0 ECAERN CCNC(=O)[C@H]1CCCN(c2cnn(C)c(=O)c2Br)C1 ZINC000301223490 437118483 /nfs/dbraw/zinc/11/84/83/437118483.db2.gz DHQZDYUQSAZGSQ-VIFPVBQESA-N 0 0 343.225 0.895 10 0 ECAERN CCOCCN1CCN(C(=O)C(=O)Nc2nc(C)cs2)C[C@H]1C ZINC000176036851 437127331 /nfs/dbraw/zinc/12/73/31/437127331.db2.gz VKYYGYFPHUADHI-GFCCVEGCSA-N 0 0 340.449 0.959 10 0 ECAERN CC(C)(C)OC(=O)[C@@H]1CCN(C(=O)N[C@H]2CCc3ncnn3C2)C1 ZINC000176273499 437140145 /nfs/dbraw/zinc/14/01/45/437140145.db2.gz NKPBNURRAJEKLV-NEPJUHHUSA-N 0 0 335.408 0.966 10 0 ECAERN Cn1ncnc1CN1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000177141748 437172113 /nfs/dbraw/zinc/17/21/13/437172113.db2.gz TVKSTWFIBCLSDM-OAHLLOKOSA-N 0 0 331.420 0.373 10 0 ECAERN C[C@H]1CN(C(=O)Nc2cccc(C(N)=O)c2)C[C@@H]1N1CCOCC1 ZINC000177230959 437176968 /nfs/dbraw/zinc/17/69/68/437176968.db2.gz ADAAPKOQZIDVQA-WFASDCNBSA-N 0 0 332.404 0.970 10 0 ECAERN C[C@@H]1CN(C(=O)NCCCN2CCCC2=O)C[C@H]1N1CCOCC1 ZINC000177297384 437178796 /nfs/dbraw/zinc/17/87/96/437178796.db2.gz MGMKHFGHZSFUQH-HUUCEWRRSA-N 0 0 338.452 0.361 10 0 ECAERN NC(=O)c1ccc(NC(=O)C(=O)N2CCN3CCCC[C@@H]3C2)cc1F ZINC000177391334 437180623 /nfs/dbraw/zinc/18/06/23/437180623.db2.gz AURIUQXPISGXLB-GFCCVEGCSA-N 0 0 348.378 0.560 10 0 ECAERN NC(=O)c1ccc(NC(=O)C(=O)N2CCN3CCCC[C@H]3C2)cc1F ZINC000177391354 437183850 /nfs/dbraw/zinc/18/38/50/437183850.db2.gz AURIUQXPISGXLB-LBPRGKRZSA-N 0 0 348.378 0.560 10 0 ECAERN Cc1cc(NC(=O)C(=O)N2CCC[C@H](Cc3noc(C)n3)C2)n(C)n1 ZINC000177590076 437189379 /nfs/dbraw/zinc/18/93/79/437189379.db2.gz XHADBYWCYQOODW-GFCCVEGCSA-N 0 0 346.391 0.840 10 0 ECAERN Cc1ccc(NC(=O)C(=O)N2CCN(C[C@@H](C)O)[C@H](C)C2)c(F)c1 ZINC000177607127 437192636 /nfs/dbraw/zinc/19/26/36/437192636.db2.gz IVJSASDSPABCAQ-CHWSQXEVSA-N 0 0 337.395 0.986 10 0 ECAERN Cn1cc([C@@H]2CCN(C(=O)[C@H]3CC(=O)N(c4cn[nH]c4)C3)C2)cn1 ZINC000178246755 437210183 /nfs/dbraw/zinc/21/01/83/437210183.db2.gz MUEIIKCQQZVSLS-NEPJUHHUSA-N 0 0 328.376 0.512 10 0 ECAERN Cn1cc([C@@H]2CCN(C(=O)[C@@H]3CC(=O)N(c4cn[nH]c4)C3)C2)cn1 ZINC000178246726 437210650 /nfs/dbraw/zinc/21/06/50/437210650.db2.gz MUEIIKCQQZVSLS-VXGBXAGGSA-N 0 0 328.376 0.512 10 0 ECAERN CNC(=O)[C@H](NC(=O)NC[C@@H](C(C)C)N1CCOCC1)C(C)C ZINC000178447030 437215361 /nfs/dbraw/zinc/21/53/61/437215361.db2.gz AGVJHILMZBISJS-UONOGXRCSA-N 0 0 328.457 0.413 10 0 ECAERN COCCOCCS(=O)(=O)N1CCc2c(nc(C(C)C)n2C)C1 ZINC000178698049 437224416 /nfs/dbraw/zinc/22/44/16/437224416.db2.gz UFOLIKLALIXGSQ-UHFFFAOYSA-N 0 0 345.465 0.894 10 0 ECAERN Cn1nccc1S(=O)(=O)N1C[C@H](CO)[C@@H](c2ccsc2)C1 ZINC000328610175 437240573 /nfs/dbraw/zinc/24/05/73/437240573.db2.gz GTOMSNUHFHEKQL-VXGBXAGGSA-N 0 0 327.431 0.878 10 0 ECAERN Cn1cnnc1[C@H]1CN(C[C@@H](O)COCc2ccccc2)CCO1 ZINC000328627836 437240958 /nfs/dbraw/zinc/24/09/58/437240958.db2.gz GPQDONYLJDHJEZ-HZPDHXFCSA-N 0 0 332.404 0.766 10 0 ECAERN CN(C)c1ncccc1O[C@H]1CCN(C(=O)c2cnn(C)c2N)C1 ZINC000328630019 437242284 /nfs/dbraw/zinc/24/22/84/437242284.db2.gz PJISFYQVNBIBET-NSHDSACASA-N 0 0 330.392 0.757 10 0 ECAERN CC(C)n1cnc(S(=O)(=O)N2CCN(C)[C@@H](c3ncc[nH]3)C2)c1 ZINC000328633392 437243492 /nfs/dbraw/zinc/24/34/92/437243492.db2.gz SPIYSZWQWODXAF-GFCCVEGCSA-N 0 0 338.437 0.865 10 0 ECAERN O=C(Nc1cccnc1Cl)C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000179783545 437273901 /nfs/dbraw/zinc/27/39/01/437273901.db2.gz VHNBRHUCJIGXLZ-LLVKDONJSA-N 0 0 338.795 0.607 10 0 ECAERN Cc1cc(F)ccc1-n1cc(C(=O)N2CCOC[C@H]2C(N)=O)nn1 ZINC000180194438 437281180 /nfs/dbraw/zinc/28/11/80/437281180.db2.gz XYBBPSUBOGXWJF-ZDUSSCGKSA-N 0 0 333.323 0.041 10 0 ECAERN CCOc1ccccc1C(F)(F)C(=O)N1CCOC[C@@H]1C(N)=O ZINC000180275585 437284591 /nfs/dbraw/zinc/28/45/91/437284591.db2.gz PQVFHKLRCAZDPO-LLVKDONJSA-N 0 0 328.315 0.890 10 0 ECAERN NC(=O)[C@H]1COCCN1C[C@H](O)COc1ccccc1C(F)(F)F ZINC000182334001 437346532 /nfs/dbraw/zinc/34/65/32/437346532.db2.gz LDOVAJUWVDAEAK-CMPLNLGQSA-N 0 0 348.321 0.631 10 0 ECAERN C[C@H]1CN(C(=O)Cc2ccc3c(c2)NC(=O)C3)C[C@H]1N1CCOCC1 ZINC000182484157 437352133 /nfs/dbraw/zinc/35/21/33/437352133.db2.gz MLGPLENVSBIQPU-SUMWQHHRSA-N 0 0 343.427 0.903 10 0 ECAERN COCc1nnc(-c2cccc(C(=O)NC[C@@H]3CN(C)CCO3)c2)o1 ZINC000182025543 437335322 /nfs/dbraw/zinc/33/53/22/437335322.db2.gz ILTISNVOMNCQEK-CQSZACIVSA-N 0 0 346.387 0.943 10 0 ECAERN O=C(CN1C[C@H](O)C[C@@H]1CO)NCc1ccc(OC(F)(F)F)cc1 ZINC000185151527 437426096 /nfs/dbraw/zinc/42/60/96/437426096.db2.gz RYPREOFGXIVDBL-VXGBXAGGSA-N 0 0 348.321 0.629 10 0 ECAERN CNc1cc(N2CCC[C@H]2CNC(=O)NC2(CO)CCC2)ncn1 ZINC000186331342 437470172 /nfs/dbraw/zinc/47/01/72/437470172.db2.gz PCWTXXKEVLZRCH-LBPRGKRZSA-N 0 0 334.424 0.701 10 0 ECAERN O=C(c1cccnc1NC[C@@H](O)CN1CCOCC1)N1CCCCC1 ZINC000269260430 437476321 /nfs/dbraw/zinc/47/63/21/437476321.db2.gz AEOAOGUGNAOBIW-OAHLLOKOSA-N 0 0 348.447 0.813 10 0 ECAERN Cc1noc([C@H]2COCCN2C(=O)c2ccc3[nH]c(=O)[nH]c3c2)n1 ZINC000186617044 437479702 /nfs/dbraw/zinc/47/97/02/437479702.db2.gz GTJZWFHNXSOBHT-GFCCVEGCSA-N 0 0 329.316 0.761 10 0 ECAERN Cc1cc(N2CCC[C@H](NC(=O)Nc3ccnn3C)C2=O)n(C)n1 ZINC000185399535 437437194 /nfs/dbraw/zinc/43/71/94/437437194.db2.gz NMMJXULXTJGGPK-NSHDSACASA-N 0 0 331.380 0.779 10 0 ECAERN CCn1cc(CN2CCCN(C(=O)C(=O)Nc3ccon3)CC2)cn1 ZINC000185807988 437451866 /nfs/dbraw/zinc/45/18/66/437451866.db2.gz GUWIMLJDJMUOBM-UHFFFAOYSA-N 0 0 346.391 0.564 10 0 ECAERN CCO[C@@H]1C[C@@H](NC(=O)NCCCn2ccnn2)C12CCOCC2 ZINC000185936069 437455016 /nfs/dbraw/zinc/45/50/16/437455016.db2.gz RNFRCFIHGDHZLP-ZIAGYGMSSA-N 0 0 337.424 0.942 10 0 ECAERN CC(=O)c1cccc(OC[C@H](O)CN2CC(NC(=O)C3CC3)C2)c1 ZINC000187982770 437521640 /nfs/dbraw/zinc/52/16/40/437521640.db2.gz AWUXORCMVYBYPG-MRXNPFEDSA-N 0 0 332.400 0.839 10 0 ECAERN C[C@H]1C(=O)NCCCN1C(=O)CNC(=O)c1ccc(F)c(F)c1 ZINC000188100200 437524624 /nfs/dbraw/zinc/52/46/24/437524624.db2.gz PMCVSOWLAIBLPD-VIFPVBQESA-N 0 0 325.315 0.432 10 0 ECAERN CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCCNC(=O)[C@@H]2C)c1 ZINC000188080832 437525266 /nfs/dbraw/zinc/52/52/66/437525266.db2.gz SADRLFWJXZZGIG-JTQLQIEISA-N 0 0 342.392 0.970 10 0 ECAERN CNS(=O)(=O)CCNC(=O)N1CCC[C@H](c2nc(C)cs2)C1 ZINC000188174122 437530393 /nfs/dbraw/zinc/53/03/93/437530393.db2.gz LAVIHXNMDVEFSJ-NSHDSACASA-N 0 0 346.478 0.890 10 0 ECAERN O=C([C@H]1CC(c2cccnc2)=NO1)N1CC[C@H](N2CCOCC2)C1 ZINC000188237086 437536435 /nfs/dbraw/zinc/53/64/35/437536435.db2.gz VJDDWFCZPSBRJO-GOEBONIOSA-N 0 0 330.388 0.508 10 0 ECAERN O=C(Cn1c(=O)cnc2ccccc21)N1CC(NC(=O)C2CCC2)C1 ZINC000188511021 437554480 /nfs/dbraw/zinc/55/44/80/437554480.db2.gz GABCHXUYCGYZBR-UHFFFAOYSA-N 0 0 340.383 0.524 10 0 ECAERN CC(=O)NC1CN(S(=O)(=O)N(C)Cc2c(F)cccc2Cl)C1 ZINC000188553572 437556159 /nfs/dbraw/zinc/55/61/59/437556159.db2.gz YNDYKDDCSKCZNI-UHFFFAOYSA-N 0 0 349.815 0.976 10 0 ECAERN NC(=O)c1cccc(CNC(=O)N2CC(NC(=O)C3CCC3)C2)c1 ZINC000188799242 437571435 /nfs/dbraw/zinc/57/14/35/437571435.db2.gz ALZDNTIGNRHWRQ-UHFFFAOYSA-N 0 0 330.388 0.596 10 0 ECAERN CN(C)c1cccc(CCC(=O)NC[C@H](O)CN2CCOCC2)c1 ZINC000189043744 437583773 /nfs/dbraw/zinc/58/37/73/437583773.db2.gz DONRHJXINBDLRX-KRWDZBQOSA-N 0 0 335.448 0.495 10 0 ECAERN CCn1cc([C@@H]2CN([C@@H]3CCN(c4cnn(C)c4)C3=O)CCO2)cn1 ZINC000190781146 437638610 /nfs/dbraw/zinc/63/86/10/437638610.db2.gz PGUTWMMQRNQURC-CVEARBPZSA-N 0 0 344.419 0.815 10 0 ECAERN CN(CC(=O)N[C@@H]1CCc2ncnn2C1)C(=O)OCc1ccccc1 ZINC000191245674 437650984 /nfs/dbraw/zinc/65/09/84/437650984.db2.gz GOBHRKJTGLFVML-CQSZACIVSA-N 0 0 343.387 0.978 10 0 ECAERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1ccnn1[C@H](C)C1CC1 ZINC000192052941 437664508 /nfs/dbraw/zinc/66/45/08/437664508.db2.gz UTAYSBMKBLPETH-PWSUYJOCSA-N 0 0 333.392 0.530 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)C2=C(C)N(C)c3ncnn3[C@H]2C)CC1 ZINC000192210884 437670513 /nfs/dbraw/zinc/67/05/13/437670513.db2.gz PFQFPURXAOHXHA-KBPBESRZSA-N 0 0 348.451 0.478 10 0 ECAERN CCCc1csc(NC(=O)C(=O)NC[C@H](C)N2CCOCC2)n1 ZINC000192561774 437682137 /nfs/dbraw/zinc/68/21/37/437682137.db2.gz HTCHHJOFVPSCCN-NSHDSACASA-N 0 0 340.449 0.871 10 0 ECAERN CC1=C(C(=O)N2CC(NC(=O)C3CC3)C2)[C@@H](C)n2ncnc2N1C ZINC000192604052 437683747 /nfs/dbraw/zinc/68/37/47/437683747.db2.gz LMVOGCRXHOVQTP-SNVBAGLBSA-N 0 0 330.392 0.300 10 0 ECAERN C[C@H](CNC(=O)C(=O)Nc1ccc(Cl)cn1)N1CCOCC1 ZINC000192919735 437697790 /nfs/dbraw/zinc/69/77/90/437697790.db2.gz VOHMMPZLYPIFOE-SNVBAGLBSA-N 0 0 326.784 0.510 10 0 ECAERN NC(=O)COc1cccc(CNC(=O)N2C[C@@H](F)C[C@H]2CO)c1 ZINC000347452472 437893402 /nfs/dbraw/zinc/89/34/02/437893402.db2.gz BYLFAIIMBJURDL-RYUDHWBXSA-N 0 0 325.340 0.165 10 0 ECAERN CCN1C(=O)CC[C@H](C(=O)N2C[C@@H](O)C(C)(C)C2)[C@H]1c1cnn(C)c1 ZINC000365754827 437964268 /nfs/dbraw/zinc/96/42/68/437964268.db2.gz VDBQZMVMVKEPSN-SQWLQELKSA-N 0 0 348.447 0.949 10 0 ECAERN Cc1oc(Br)cc1C(=O)N1CC[C@@]2(C1)NC(=O)NC2=O ZINC000396655665 438448811 /nfs/dbraw/zinc/44/88/11/438448811.db2.gz MDQQPXHKWNZOQJ-LBPRGKRZSA-N 0 0 342.149 0.775 10 0 ECAERN CC1(C)O[C@@H]2[C@@H]([C@H](O)[C@@H](O)CO)O[C@H](OCc3ccccc3)[C@@H]2O1 ZINC000575173216 438741149 /nfs/dbraw/zinc/74/11/49/438741149.db2.gz QYCQBMVUWJKAQL-JTAWPXLSSA-N 0 0 340.372 0.162 10 0 ECAERN CC(C)n1cc([C@@]2(O)CCCN(CC(=O)NCC(F)(F)F)C2)nn1 ZINC000583615079 439486813 /nfs/dbraw/zinc/48/68/13/439486813.db2.gz BYRDRVWADLKCTQ-CYBMUJFWSA-N 0 0 349.357 0.821 10 0 ECAERN CCN1CCN(C(=O)N[C@H]2CCN(C)C2=O)C[C@H]1c1nccn1C ZINC000583621100 439488042 /nfs/dbraw/zinc/48/80/42/439488042.db2.gz GZFUZPUOHAFCGH-STQMWFEESA-N 0 0 334.424 0.039 10 0 ECAERN NS(=O)(=O)c1nccc(-c2ccc(CO)cc2)c1-c1nn[nH]n1 ZINC000584629571 439605417 /nfs/dbraw/zinc/60/54/17/439605417.db2.gz ZLLPEJMJTQBWDI-UHFFFAOYSA-N 0 0 332.345 0.068 10 0 ECAERN Cn1ccnc1[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[C@H](O)[C@H]1n1cccn1 ZINC000616766041 439821962 /nfs/dbraw/zinc/82/19/62/439821962.db2.gz UXHGTYAYSPEBEL-NIFZNCRKSA-N 0 0 345.403 0.575 10 0 ECAERN O[C@@H]1CN(c2ncc(Br)cc2F)C[C@H]1n1ccnn1 ZINC000631395645 439845651 /nfs/dbraw/zinc/84/56/51/439845651.db2.gz QAQPYBYFBUQWAP-NXEZZACHSA-N 0 0 328.145 0.997 10 0 ECAERN Cc1nc(C)c(Br)c(N2C[C@@H](O)[C@H](n3ccnn3)C2)n1 ZINC000631407251 439848037 /nfs/dbraw/zinc/84/80/37/439848037.db2.gz YLGSODFYMYLCBY-NXEZZACHSA-N 0 0 339.197 0.870 10 0 ECAERN CNC(=O)C[C@]1(O)CCCN(c2nnnn2-c2ccc(C)cc2)C1 ZINC000643720570 440282649 /nfs/dbraw/zinc/28/26/49/440282649.db2.gz ICCRUNGRAOJUOM-MRXNPFEDSA-N 0 0 330.392 0.438 10 0 ECAERN CN(C[C@H]1CN(C)CCO1)C(=O)c1ccccc1Cn1ccnn1 ZINC000633914009 440573015 /nfs/dbraw/zinc/57/30/15/440573015.db2.gz FHECVZONUNETFX-OAHLLOKOSA-N 0 0 329.404 0.729 10 0 ECAERN O=C(CN1CCCC[C@H](O)C1=O)N1CCC2(C1)Oc1ccccc1O2 ZINC000644482035 440617237 /nfs/dbraw/zinc/61/72/37/440617237.db2.gz HKYMQAAATSGQFG-ZDUSSCGKSA-N 0 0 346.383 0.760 10 0 ECAERN Cn1cc(Br)c(C(=O)N2CC[C@H](N3CCOCC3)C2)n1 ZINC000645618247 440862698 /nfs/dbraw/zinc/86/26/98/440862698.db2.gz DNVQUXKMVWYLFB-JTQLQIEISA-N 0 0 343.225 0.729 10 0 ECAERN CO[C@@H]1CN(S(=O)(=O)CCC(F)(F)F)C[C@H]1c1cn[nH]n1 ZINC000657145705 440974900 /nfs/dbraw/zinc/97/49/00/440974900.db2.gz QAXCBMRNJWQTRU-IONNQARKSA-N 0 0 328.316 0.501 10 0 ECAERN CCc1noc([C@H](C)N2CCN(C(=O)Cc3ccn(C)n3)CC2)n1 ZINC000181426224 320526507 /nfs/dbraw/zinc/52/65/07/320526507.db2.gz OEGPUZCTRWTUCJ-LBPRGKRZSA-N 0 0 332.408 0.813 10 0 ECAERN Cc1cc(C(=O)N[C@H]2COC[C@H]2n2ccnn2)c2cnn(C)c2n1 ZINC000329140887 320755827 /nfs/dbraw/zinc/75/58/27/320755827.db2.gz TXUNAFIGONUUFS-QWHCGFSZSA-N 0 0 327.348 0.238 10 0 ECAERN Cc1nccnc1N1CCN(C(=O)[C@@H]2OC[C@H]3COCC[C@@H]32)CC1 ZINC000329568151 320778828 /nfs/dbraw/zinc/77/88/28/320778828.db2.gz LMYXSOCHRSDWGP-QLFBSQMISA-N 0 0 332.404 0.485 10 0 ECAERN O=C(C[C@@H]1CCOC1)N1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000329725995 320786813 /nfs/dbraw/zinc/78/68/13/320786813.db2.gz CAVMDLCRLZCFJC-ZDUSSCGKSA-N 0 0 339.417 0.341 10 0 ECAERN CN(C[C@@H]1C[C@H](F)CN1c1ccncn1)C(=O)C1(O)CCOCC1 ZINC000329913927 320795273 /nfs/dbraw/zinc/79/52/73/320795273.db2.gz CCFGGOOKGACVEB-STQMWFEESA-N 0 0 338.383 0.393 10 0 ECAERN CCc1nnc(CN2C[C@@H](COCC(=O)N(C)C)OC(C)(C)C2)[nH]1 ZINC000343334959 321134341 /nfs/dbraw/zinc/13/43/41/321134341.db2.gz CYNPYQSYIRFDPW-LBPRGKRZSA-N 0 0 339.440 0.451 10 0 ECAERN C[C@@H]1CCCN(C(=O)C(=O)N2CCN(C)[C@H](c3nccn3C)C2)C1 ZINC000369352936 321760226 /nfs/dbraw/zinc/76/02/26/321760226.db2.gz LVJBZESGUCINNU-KGLIPLIRSA-N 0 0 333.436 0.494 10 0 ECAERN O=C(CCN1C(=O)NC2(CCCC2)C1=O)N1C[C@@H](F)C[C@H]1CO ZINC000372501951 321776526 /nfs/dbraw/zinc/77/65/26/321776526.db2.gz FVPADKVLYJZQRA-QWRGUYRKSA-N 0 0 327.356 0.172 10 0 ECAERN Cc1cc(N2CCC[C@H](NC(=O)NCC3CCOCC3)C2=O)n(C)n1 ZINC000174489070 533896429 /nfs/dbraw/zinc/89/64/29/533896429.db2.gz JTBUGRPSVMDNRW-AWEZNQCLSA-N 0 0 349.435 0.950 10 0 ECAERN C[C@H]1CN(C[C@H](O)COCc2ccccc2)CCN1S(C)(=O)=O ZINC000181573510 533946343 /nfs/dbraw/zinc/94/63/43/533946343.db2.gz ALHHNKAYMHECCT-HOCLYGCPSA-N 0 0 342.461 0.530 10 0 ECAERN C[C@@H]1Cc2cc(S(=O)(=O)N3CC(NC(=O)C4CC4)C3)ccc2O1 ZINC000187917325 534061064 /nfs/dbraw/zinc/06/10/64/534061064.db2.gz OMJVZILKEFWNSD-SNVBAGLBSA-N 0 0 336.413 0.909 10 0 ECAERN NC(=O)c1cnn2c1nccc2C(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000154579409 534513983 /nfs/dbraw/zinc/51/39/83/534513983.db2.gz GULKSSSMYIFWFD-DGCLKSJQSA-N 0 0 329.360 0.612 10 0 ECAERN Cc1nccn1C[C@@H]1CCCN1S(=O)(=O)CCS(C)(=O)=O ZINC000173741192 534781836 /nfs/dbraw/zinc/78/18/36/534781836.db2.gz WBJLRRUDOMJWBL-LBPRGKRZSA-N 0 0 335.451 0.030 10 0 ECAERN O=C(NCCCc1ccccc1)C(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188558929 534850866 /nfs/dbraw/zinc/85/08/66/534850866.db2.gz VNKWETALOOROJE-UHFFFAOYSA-N 0 0 343.427 0.863 10 0 ECAERN CC(=O)N1CCN(C(=O)CN2CC[C@H](Oc3ccncc3)C2)CC1 ZINC000131710658 526609957 /nfs/dbraw/zinc/60/99/57/526609957.db2.gz BFQPCGGHLHNGGF-INIZCTEOSA-N 0 0 332.404 0.225 10 0 ECAERN CC(=O)NC1CN(C(=O)C(=O)Nc2ccc(-c3cc[nH]n3)cc2)C1 ZINC000191343455 526705000 /nfs/dbraw/zinc/70/50/00/526705000.db2.gz OAJQWQHFKXTLOK-UHFFFAOYSA-N 0 0 327.344 0.362 10 0 ECAERN CC(=O)NC1CN(C(=O)N[C@@H]2CCCN(c3ccccc3F)C2=O)C1 ZINC000190293755 526711087 /nfs/dbraw/zinc/71/10/87/526711087.db2.gz TVNQDNVZKVLICZ-CQSZACIVSA-N 0 0 348.378 0.851 10 0 ECAERN CC(=O)NC1CN(C(=O)c2ccc(=O)n(-c3ccccc3F)n2)C1 ZINC000190456568 526712812 /nfs/dbraw/zinc/71/28/12/526712812.db2.gz DXNBZENEURZCBS-UHFFFAOYSA-N 0 0 330.319 0.332 10 0 ECAERN CC(C)[C@H](O)CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1 ZINC000185398767 527719910 /nfs/dbraw/zinc/71/99/10/527719910.db2.gz DNVXGYGJUUEAQU-DLBZAZTESA-N 0 0 348.443 0.980 10 0 ECAERN CCCS(=O)(=O)CC(=O)N1CCO[C@H](c2cnn(CC)c2)C1 ZINC000191717757 528795948 /nfs/dbraw/zinc/79/59/48/528795948.db2.gz QCWOTESWMRKLQQ-ZDUSSCGKSA-N 0 0 329.422 0.628 10 0 ECAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N(C)CCCn1ccnc1 ZINC000154753351 528806392 /nfs/dbraw/zinc/80/63/92/528806392.db2.gz JSBXISWWEHBXKS-CQSZACIVSA-N 0 0 342.465 0.936 10 0 ECAERN O=C(Nc1cnn(CC2CC2)c1)C(=O)N1CCN2CCCC[C@H]2C1 ZINC000177969553 545877348 /nfs/dbraw/zinc/87/73/48/545877348.db2.gz LKKZYVUHVYGXOW-HNNXBMFYSA-N 0 0 331.420 0.928 10 0 ECAERN CNC(=O)[C@@H]1CCCN1C(=O)NCCCc1nnc2n1CCCCC2 ZINC000179271122 545881142 /nfs/dbraw/zinc/88/11/42/545881142.db2.gz CRPPRUKRMXEXQX-ZDUSSCGKSA-N 0 0 348.451 0.857 10 0 ECAERN C[C@H](NC(=O)c1ccco1)C(=O)NCc1ccc2[nH]c(=O)[nH]c2c1 ZINC000184505981 545893872 /nfs/dbraw/zinc/89/38/72/545893872.db2.gz VSEAMJGREDUPJC-VIFPVBQESA-N 0 0 328.328 0.884 10 0 ECAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1C[C@@H](C)OC[C@H]1c1ccccc1 ZINC000189167851 545903964 /nfs/dbraw/zinc/90/39/64/545903964.db2.gz BXDGRFDMUODKOX-YYQUZTFQSA-N 0 0 332.400 0.957 10 0 ECAERN COc1ccc2c(c1)OC[C@@H](C(=O)N1CC(NC(=O)C3CC3)C1)C2 ZINC000189483546 545905788 /nfs/dbraw/zinc/90/57/88/545905788.db2.gz QJGBQMWHXXAGGF-ZDUSSCGKSA-N 0 0 330.384 0.983 10 0 ECAERN NC(=O)[C@@]1(O)CCCN(c2nccc(N3Cc4ccccc4C3)n2)C1 ZINC000624206713 546889908 /nfs/dbraw/zinc/88/99/08/546889908.db2.gz CURCSYAJFSKJMW-GOSISDBHSA-N 0 0 339.399 0.813 10 0 ECAERN CCOc1nc(C)ccc1C(=O)N1CC[C@@](O)(Cn2ccnn2)C1 ZINC000671606314 548203684 /nfs/dbraw/zinc/20/36/84/548203684.db2.gz ZQUUYQJXEHGORR-INIZCTEOSA-N 0 0 331.376 0.657 10 0 ECAERN Cc1ccc(CCNC(=O)c2coc(CN3CC[C@H](O)C3)n2)cn1 ZINC000685943898 549729682 /nfs/dbraw/zinc/72/96/82/549729682.db2.gz JFTAVLWEMIFNKX-AWEZNQCLSA-N 0 0 330.388 0.917 10 0 ECAERN CNC(=O)/C=C/C1=C[C@H]2[C@H](O)Nc3c(O)c(C)ccc3C(=O)N2C1 ZINC000006071452 560205111 /nfs/dbraw/zinc/20/51/11/560205111.db2.gz VMOHRPRQENZZPX-XVBBPSCPSA-N 0 0 329.356 0.498 10 0 in-vitro ECAERN Cn1cnnc1C[C@]1(O)CCCN(Cc2nnc(C(C)(C)C)[nH]2)C1 ZINC000888077458 586245622 /nfs/dbraw/zinc/24/56/22/586245622.db2.gz CFEKXLCCCJNQDO-MRXNPFEDSA-N 0 0 333.440 0.800 10 0 ECAERN CN(Cc1ccco1)C(=O)CN1CCC[C@@](O)(Cc2nncn2C)C1 ZINC000888077157 586245745 /nfs/dbraw/zinc/24/57/45/586245745.db2.gz OGXCLFQIHFRJIU-QGZVFWFLSA-N 0 0 347.419 0.436 10 0 ECAERN CNC(=O)[C@@H]1CC(=O)N(C2CN(C(=O)C3(F)CCCCC3)C2)C1 ZINC000888098903 586350089 /nfs/dbraw/zinc/35/00/89/586350089.db2.gz XWOSTWVYTNWIIA-LLVKDONJSA-N 0 0 325.384 0.464 10 0 ECAERN CNC(=O)[C@H]1CC(=O)N(C2CN(C(=O)/C=C(/C)c3ccccc3)C2)C1 ZINC000888105391 586351022 /nfs/dbraw/zinc/35/10/22/586351022.db2.gz ABFGNBPUUWDDOA-ODDCISTRSA-N 0 0 341.411 0.895 10 0 ECAERN C=CC(=O)N(CC)CC(=O)N(C)[C@H]1CCCN(c2cccnn2)C1 ZINC000900757697 586660084 /nfs/dbraw/zinc/66/00/84/586660084.db2.gz XKTXGQVQRWGFMI-AWEZNQCLSA-N 0 0 331.420 0.938 10 0 ECAERN CCn1ccnc(N2CCC(NC(=O)c3cnc(C)n3C)CC2)c1=O ZINC000907570392 586737708 /nfs/dbraw/zinc/73/77/08/586737708.db2.gz MJXLDLDVBZXMMR-UHFFFAOYSA-N 0 0 344.419 0.704 10 0 ECAERN COc1cccc(CNC(=O)[C@@H]2Cn3c(C)nnc3CN2)c1OC ZINC000818059733 587399412 /nfs/dbraw/zinc/39/94/12/587399412.db2.gz OTEZTHYFAMZQSD-LBPRGKRZSA-N 0 0 331.376 0.392 10 0 ECAERN O=C1CCCN1C[C@@H](O)CN1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000111690367 589563390 /nfs/dbraw/zinc/56/33/90/589563390.db2.gz FVTCAGVBODDLKA-ZWKOTPCHSA-N 0 0 347.459 0.321 10 0 ECAERN C[C@H](OC(=O)CCc1nc2c([nH]1)n(C)c(=O)[nH]c2=O)c1cccnc1 ZINC000113482364 589638748 /nfs/dbraw/zinc/63/87/48/589638748.db2.gz JHIRBWGWYIKBFO-VIFPVBQESA-N 0 0 343.343 0.582 10 0 ECAERN Cn1cc(COC(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2cnn(C)c2)cn1 ZINC000115738046 589719281 /nfs/dbraw/zinc/71/92/81/589719281.db2.gz FJIGUROVWPRSFJ-UKRRQHHQSA-N 0 0 331.376 0.807 10 0 ECAERN CCc1ncc(CN2CC(N3C[C@H](c4nc(C)no4)CC3=O)C2)cn1 ZINC000864313794 590069041 /nfs/dbraw/zinc/06/90/41/590069041.db2.gz XLBDBZPCBGYWJG-CYBMUJFWSA-N 0 0 342.403 0.931 10 0 ECAERN C[C@@H]1CN(Cn2[nH]c(-c3ccccn3)nc2=S)C[C@@H](C(N)=O)O1 ZINC000120166492 590092936 /nfs/dbraw/zinc/09/29/36/590092936.db2.gz LZNYKNVRPAECMB-KOLCDFICSA-N 0 0 334.405 0.535 10 0 ECAERN CC(C)(C)[S@](=O)CCNC(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000120261669 590111899 /nfs/dbraw/zinc/11/18/99/590111899.db2.gz QQTJZUGMDSNWQK-NPMABZOXSA-N 0 0 342.465 0.841 10 0 ECAERN CN1CCCc2ccc(S(=O)(=O)N[C@H]3CCc4ncnn4C3)cc21 ZINC000125354179 590287832 /nfs/dbraw/zinc/28/78/32/590287832.db2.gz GVLSVRPJTMKQFW-ZDUSSCGKSA-N 0 0 347.444 0.954 10 0 ECAERN C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCc1ccc[nH]1 ZINC000126173606 590417344 /nfs/dbraw/zinc/41/73/44/590417344.db2.gz OPFFMWUUAFQVMT-JTQLQIEISA-N 0 0 332.385 0.758 10 0 ECAERN COc1ccc(CN2CCN([C@]3(C(N)=O)CCOC3)CC2)cc1C ZINC000886026730 590786840 /nfs/dbraw/zinc/78/68/40/590786840.db2.gz ROGQHFYLOVISJY-GOSISDBHSA-N 0 0 333.432 0.766 10 0 ECAERN Cn1ncc(Cl)c1CN1CC[NH+]([C@]2(C(=O)[O-])CCOC2)CC1 ZINC000886071766 590789843 /nfs/dbraw/zinc/78/98/43/590789843.db2.gz GXUVHPYBQMGCGO-CQSZACIVSA-N 0 0 328.800 0.435 10 0 ECAERN Cc1nn(C)c2nccc(N3CCC[C@@](O)(Cc4nncn4C)C3)c12 ZINC000886065639 590790035 /nfs/dbraw/zinc/79/00/35/590790035.db2.gz MTVZOPFRJJXSLU-QGZVFWFLSA-N 0 0 341.419 0.979 10 0 ECAERN CCc1ccccc1CC(=O)N1CCN([C@@]2(C(N)=O)CCOC2)CC1 ZINC000886077627 590791660 /nfs/dbraw/zinc/79/16/60/590791660.db2.gz MOKHNKNJEZUSDZ-IBGZPJMESA-N 0 0 345.443 0.580 10 0 ECAERN CCN1CCO[C@@H](CNC(=O)c2nccc(C)n2)[C@@H]1c1nccn1C ZINC000886079371 590791807 /nfs/dbraw/zinc/79/18/07/590791807.db2.gz JIRMBQPVZGJDJK-UONOGXRCSA-N 0 0 344.419 0.710 10 0 ECAERN Cc1cnc(C(=O)NC[C@H]2CCC(=O)N(C)[C@@H]2c2nccn2C)cn1 ZINC000886082020 590792665 /nfs/dbraw/zinc/79/26/65/590792665.db2.gz UOKTXWJYENIVMH-DOMZBBRYSA-N 0 0 342.403 0.858 10 0 ECAERN CO[C@@H]1CN(S(=O)(=O)CCC(F)(F)F)C[C@H]1c1cn(C)nn1 ZINC000886085629 590793763 /nfs/dbraw/zinc/79/37/63/590793763.db2.gz XSLPDDLEMGJEDB-WCBMZHEXSA-N 0 0 342.343 0.512 10 0 ECAERN COc1ccccc1C(=O)N1CCN([C@@]2(C(N)=O)CCOC2)CC1 ZINC000886097218 590795694 /nfs/dbraw/zinc/79/56/94/590795694.db2.gz VGIXORKXTFXZRT-KRWDZBQOSA-N 0 0 333.388 0.097 10 0 ECAERN CCCn1cc(NC(=O)C(=O)N2CCO[C@H](Cn3cccn3)C2)cn1 ZINC000158377410 611448079 /nfs/dbraw/zinc/44/80/79/611448079.db2.gz IBQREGNCFRTXPU-AWEZNQCLSA-N 0 0 346.391 0.356 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)c2cnn(-c3ccc(F)cc3)n2)CC1 ZINC000159260915 611454216 /nfs/dbraw/zinc/45/42/16/611454216.db2.gz WOJKJAVXADYWME-OAHLLOKOSA-N 0 0 347.394 0.935 10 0 ECAERN C[C@H](CNC(=O)NCc1cccnc1-n1ccnc1)N1CCOCC1 ZINC000049007270 611468012 /nfs/dbraw/zinc/46/80/12/611468012.db2.gz OFXWUZAGDXBRCM-CQSZACIVSA-N 0 0 344.419 0.787 10 0 ECAERN CO[C@H]1CC(=O)N(CN2CCN(Cc3c(C)nn(C)c3C)CC2)C1 ZINC000189145474 611505107 /nfs/dbraw/zinc/50/51/07/611505107.db2.gz SMJKWDSPQXKRRN-HNNXBMFYSA-N 0 0 335.452 0.359 10 0 ECAERN C[C@@H]1CN(C(=O)c2ccn(CC(F)F)n2)C[C@H]1N1CCOCC1 ZINC000194223504 608607492 /nfs/dbraw/zinc/60/74/92/608607492.db2.gz GMBGUMXUMABNQL-DGCLKSJQSA-N 0 0 328.363 0.941 10 0 ECAERN C[C@H](OC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1cccs1 ZINC000051928908 608850035 /nfs/dbraw/zinc/85/00/35/608850035.db2.gz UXMFODSIGVPYFI-VIFPVBQESA-N 0 0 348.384 0.800 10 0 ECAERN C[C@@H]1CN(Cn2c3cc(Cl)ccc3oc2=O)C[C@@H](C(N)=O)O1 ZINC000177181895 608926180 /nfs/dbraw/zinc/92/61/80/608926180.db2.gz SFZGNHYATKQRGD-PELKAZGASA-N 0 0 325.752 0.780 10 0 ECAERN Cc1nn(C)c(C)c1CN1CCN(CCS(=O)(=O)C(C)C)CC1 ZINC000178223168 609000706 /nfs/dbraw/zinc/00/07/06/609000706.db2.gz SYPFUFMXXIPNFK-UHFFFAOYSA-N 0 0 342.509 0.978 10 0 ECAERN O=C(CCCC(=O)N1CCOCC1)NCCc1nnc2ccccn21 ZINC000222428243 609072256 /nfs/dbraw/zinc/07/22/56/609072256.db2.gz RZAVWPNUJCPBAX-UHFFFAOYSA-N 0 0 345.403 0.417 10 0 ECAERN CC(=O)N1Cc2cccnc2[C@H](C(=O)NCCCN2CCOCC2)C1 ZINC000222655073 609103707 /nfs/dbraw/zinc/10/37/07/609103707.db2.gz USWBKLKTJLTOHU-MRXNPFEDSA-N 0 0 346.431 0.366 10 0 ECAERN CC(C)c1nnc2n1C[C@@H](NC(=O)NCCc1ccnn1C)CC2 ZINC000184905564 609117879 /nfs/dbraw/zinc/11/78/79/609117879.db2.gz NSDXUXOWGDMERZ-LBPRGKRZSA-N 0 0 331.424 0.992 10 0 ECAERN O=S(=O)(N[C@H]1CCc2ncnn2C1)C1=Cc2ccccc2OC1 ZINC000187932783 609126525 /nfs/dbraw/zinc/12/65/25/609126525.db2.gz QDCMISJPYLLULX-LBPRGKRZSA-N 0 0 332.385 0.946 10 0 ECAERN C[C@H](NC(=O)N1CC[C@H](N2CCOCC2)C1)c1nnnn1C1CC1 ZINC000188872929 609129323 /nfs/dbraw/zinc/12/93/23/609129323.db2.gz KLQUYWDOUKBYNZ-AAEUAGOBSA-N 0 0 335.412 0.185 10 0 ECAERN CN1C(=O)CO[C@H](C(=O)NCC2(CO)CC2)[C@@H]1c1ccccc1F ZINC000223226171 609708803 /nfs/dbraw/zinc/70/88/03/609708803.db2.gz GHCBAUQROFHGIQ-GJZGRUSLSA-N 0 0 336.363 0.613 10 0 ECAERN CN1CCN(C(=O)[C@@H]2CCC(=O)N2Cc2ccc3c(c2)OCO3)CC1 ZINC000223357923 609710178 /nfs/dbraw/zinc/71/01/78/609710178.db2.gz KXMOWFJSQCMSGA-AWEZNQCLSA-N 0 0 345.399 0.680 10 0 ECAERN CC(C)S(=O)(=O)N1CCN(C(=O)c2cc3n(n2)CCCO3)CC1 ZINC000223753335 609714513 /nfs/dbraw/zinc/71/45/13/609714513.db2.gz JBWVMLFWIUWJMM-UHFFFAOYSA-N 0 0 342.421 0.162 10 0 ECAERN CS(=O)(=O)N1CCN(C(=O)c2nn3c(c2Cl)OCCC3)CC1 ZINC000223773427 609714567 /nfs/dbraw/zinc/71/45/67/609714567.db2.gz LWCJKZVVWSTFFJ-UHFFFAOYSA-N 0 0 348.812 0.036 10 0 ECAERN COC(=O)N[C@@H](C(=O)NCCn1c2ccccc2[nH]c1=O)C(C)C ZINC000175447701 609723395 /nfs/dbraw/zinc/72/33/95/609723395.db2.gz ITBJQVQKPZQJIY-CYBMUJFWSA-N 0 0 334.376 0.826 10 0 ECAERN Cn1cc([C@H]2[C@@H](C(=O)OCCc3cn[nH]c3)CCC(=O)N2C)cn1 ZINC000175688971 609725233 /nfs/dbraw/zinc/72/52/33/609725233.db2.gz YBPORRNBRRFAID-ZFWWWQNUSA-N 0 0 331.376 0.839 10 0 ECAERN O=S(=O)(c1cccc(Br)c1)N1CCOC[C@H]1CO ZINC000168648468 609738339 /nfs/dbraw/zinc/73/83/39/609738339.db2.gz FWLGYDNZRZHJJI-SNVBAGLBSA-N 0 0 336.207 0.831 10 0 ECAERN CN(C)C(=O)[C@H]1CN(C(=O)Cc2ccncc2)CC12CCOCC2 ZINC000169793150 609747560 /nfs/dbraw/zinc/74/75/60/609747560.db2.gz NCAXZMMMFWXTTE-OAHLLOKOSA-N 0 0 331.416 0.968 10 0 ECAERN COc1ccc(N2C[C@H](C(=O)N3CCOC[C@@H]3CO)CC2=O)cc1 ZINC000912426241 609957903 /nfs/dbraw/zinc/95/79/03/609957903.db2.gz CJWNNDXIWPVWAM-OCCSQVGLSA-N 0 0 334.372 0.268 10 0 ECAERN Cc1cnn(C[C@@H]2CN(CCCNC(=O)C(F)(F)F)CCO2)c1 ZINC000154816398 610018629 /nfs/dbraw/zinc/01/86/29/610018629.db2.gz XILKYBPXGQTSHD-LBPRGKRZSA-N 0 0 334.342 0.961 10 0 ECAERN CC(C)C[C@H]([NH3+])C(=O)N1CCc2c(ncnc2N2CCOCC2)C1 ZINC000077406896 611289660 /nfs/dbraw/zinc/28/96/60/611289660.db2.gz VNMBKTMSNHBUKR-AWEZNQCLSA-N 0 0 333.436 0.571 10 0 ECAERN O=C(Nc1ccc(N2CCNC(=O)C2)c(Cl)c1)[C@H]1CNC(=O)C1 ZINC000194801378 612270106 /nfs/dbraw/zinc/27/01/06/612270106.db2.gz LRMWYWUQPHQSQZ-SECBINFHSA-N 0 0 336.779 0.351 10 0 ECAERN COCCN[C@@H](C(N)=O)c1cc(Br)c(O)c(OC)c1 ZINC000053256718 214172999 /nfs/dbraw/zinc/17/29/99/214172999.db2.gz XJDUZJUFOIVSRV-SNVBAGLBSA-N 0 0 333.182 0.926 10 0 ECAERN CCc1nnc([C@H]2CN(c3c(C)c(C)nc4ncnn43)CCO2)[nH]1 ZINC000131663593 529701587 /nfs/dbraw/zinc/70/15/87/529701587.db2.gz KZGVGUGHMCRPLH-LLVKDONJSA-N 0 0 328.380 1.000 10 0 ECAERN CN1CCO[C@@H](CNC(=O)C(=O)Nc2ccc(-c3cc[nH]n3)cc2)C1 ZINC000181825124 529783080 /nfs/dbraw/zinc/78/30/80/529783080.db2.gz OJIFSEDXNYMMHI-AWEZNQCLSA-N 0 0 343.387 0.462 10 0 ECAERN CNC(=O)[C@H]1CCCN1C(=O)NCc1nncn1-c1ccccc1 ZINC000156100411 529923703 /nfs/dbraw/zinc/92/37/03/529923703.db2.gz IEHHZEYMYIVLQH-CYBMUJFWSA-N 0 0 328.376 0.687 10 0 ECAERN COc1cc([C@H](O)CC(=O)N2CCOCC2)cc(OC)c1OC ZINC000003615212 210066368 /nfs/dbraw/zinc/06/63/68/210066368.db2.gz XMAADYFYLWKGHE-GFCCVEGCSA-N 0 0 325.361 0.995 10 0 ECAERN COC[C@H](C)C(=O)N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000103428707 219298494 /nfs/dbraw/zinc/29/84/94/219298494.db2.gz IGOYEUKALDSPEB-OAGGEKHMSA-N 0 0 339.480 0.918 10 0 ECAERN CN(C)c1nc(N)nc(CN2CC[C@@H](CNc3ccccn3)C2)n1 ZINC000103473722 219304529 /nfs/dbraw/zinc/30/45/29/219304529.db2.gz AHJZZBXNOHGHSA-LBPRGKRZSA-N 0 0 328.424 0.849 10 0 ECAERN C[C@H](NC(=O)N1CCN([C@@H](C)C(=O)NC2CC2)CC1)[C@H]1CCCO1 ZINC000103509015 219308996 /nfs/dbraw/zinc/30/89/96/219308996.db2.gz JRXPALSSBCRTSJ-KCQAQPDRSA-N 0 0 338.452 0.548 10 0 ECAERN COCCCNC(=O)[C@H](C)N1CCN(C(=O)N[C@H](C)C(C)C)CC1 ZINC000103507589 219309161 /nfs/dbraw/zinc/30/91/61/219309161.db2.gz KQTGOBHIWKJYJH-CABCVRRESA-N 0 0 342.484 0.899 10 0 ECAERN COCCCNC(=O)[C@@H](C)N1CCN(C(=O)N[C@H](C)C(C)C)CC1 ZINC000103507592 219309738 /nfs/dbraw/zinc/30/97/38/219309738.db2.gz KQTGOBHIWKJYJH-HUUCEWRRSA-N 0 0 342.484 0.899 10 0 ECAERN CCCCNC(=O)c1cn(C)nc1S(=O)(=O)N1CCSCC1 ZINC000065151917 282833561 /nfs/dbraw/zinc/83/35/61/282833561.db2.gz YMWYJRGIAUTZDV-UHFFFAOYSA-N 0 0 346.478 0.688 10 0 ECAERN COC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1sc(=O)[nH]c1C ZINC000038027068 291115381 /nfs/dbraw/zinc/11/53/81/291115381.db2.gz FBPOLAFYTIUXKY-VIFPVBQESA-N 0 0 334.419 0.851 10 0 ECAERN CN(C)C(=O)C1CCN(S(=O)(=O)c2ncn(C)c2Cl)CC1 ZINC000037984285 213183895 /nfs/dbraw/zinc/18/38/95/213183895.db2.gz PTONNIDWWVXFTC-UHFFFAOYSA-N 0 0 334.829 0.562 10 0 ECAERN Cc1cc(CNC(=O)[C@@H](C)NC2=NS(=O)(=O)c3ccccc32)on1 ZINC000187606578 236257092 /nfs/dbraw/zinc/25/70/92/236257092.db2.gz ONBKIFVVPZHKEU-SNVBAGLBSA-N 0 0 348.384 0.726 10 0 ECAERN Cc1nc2cc(NC(=O)C(=O)N3CC(NC(=O)C4CC4)C3)ccc2o1 ZINC000187980518 236368851 /nfs/dbraw/zinc/36/88/51/236368851.db2.gz WDVKCCBOLJMDJA-UHFFFAOYSA-N 0 0 342.355 0.812 10 0 ECAERN C[C@@H]([NH2+]C1C(C)(C)SC1(C)C)C(=O)NC(=O)[C@@H](N)CC(=O)[O-] ZINC000033753897 212963345 /nfs/dbraw/zinc/96/33/45/212963345.db2.gz YUUXCBAZJLNDPR-SFYZADRCSA-N 0 0 331.438 0.082 10 0 ECAERN O=S(=O)(CCc1ccc2c(c1)CCO2)N[C@H]1CCc2ncnn2C1 ZINC000189616655 237077316 /nfs/dbraw/zinc/07/73/16/237077316.db2.gz JXYIEYRIRDLVTF-AWEZNQCLSA-N 0 0 348.428 0.690 10 0 ECAERN Cn1c(CNC(=O)N2CC(NC(=O)C3CC3)C2)nc2ccccc21 ZINC000190031314 238181607 /nfs/dbraw/zinc/18/16/07/238181607.db2.gz HDAUNBXMUZWWQB-UHFFFAOYSA-N 0 0 327.388 0.993 10 0 ECAERN O=C(Nc1ccc(-n2ccnn2)cc1)C(=O)N[C@H]1CCCC[C@@H]1CO ZINC000130644721 223166970 /nfs/dbraw/zinc/16/69/70/223166970.db2.gz GZGHNTDEVQGJMG-DOMZBBRYSA-N 0 0 343.387 0.873 10 0 ECAERN Cc1cc(N2CCC[C@H](NC(=O)Cc3cc(C)on3)C2=O)n(C)n1 ZINC000072539912 216270145 /nfs/dbraw/zinc/27/01/45/216270145.db2.gz SWKVSSZZRIEWPQ-ZDUSSCGKSA-N 0 0 331.376 0.879 10 0 ECAERN O=C(CCn1[nH]c(=O)c2ccccc2c1=O)N[C@H]1CCCC[C@H]1O ZINC000130721624 223171793 /nfs/dbraw/zinc/17/17/93/223171793.db2.gz WCTIXLWBYCGWSX-UONOGXRCSA-N 0 0 331.372 0.500 10 0 ECAERN C[C@@H](O)CN1CCN(C(=O)C(=O)Nc2ccc(Cl)cn2)C[C@@H]1C ZINC000193471176 240179789 /nfs/dbraw/zinc/17/97/89/240179789.db2.gz FWOTTXRAMLJMEN-WDEREUQCSA-N 0 0 340.811 0.587 10 0 ECAERN C[N@@H+](CC(=O)[O-])C[C@@H]1CN(C(=O)[C@H]2COc3ccccc3C2)CCO1 ZINC000262867898 245222538 /nfs/dbraw/zinc/22/25/38/245222538.db2.gz CHSCGAHRXOIQCR-HUUCEWRRSA-N 0 0 348.399 0.482 10 0 ECAERN Cc1noc([C@@H](C)N2CCN(C(=O)C3=NN(C)C(=O)CC3)CC2)n1 ZINC000110897194 220076870 /nfs/dbraw/zinc/07/68/70/220076870.db2.gz UBPBBLHFIFGXBB-SNVBAGLBSA-N 0 0 334.380 0.191 10 0 ECAERN COCCOCCC(=O)N1CCO[C@@H](Cn2nc(C)cc2C)C1 ZINC000110902744 220077780 /nfs/dbraw/zinc/07/77/80/220077780.db2.gz FHLVGKJPVODYSO-OAHLLOKOSA-N 0 0 325.409 0.780 10 0 ECAERN CCOC(=O)CN(C)C(=O)CN1CCC[C@H](c2nncn2CC)C1 ZINC000111213577 220112218 /nfs/dbraw/zinc/11/22/18/220112218.db2.gz OKWQXAFESFUMEC-ZDUSSCGKSA-N 0 0 337.424 0.499 10 0 ECAERN Cc1cc(C)n(C[C@@H]2CN(CC(=O)NCc3cccnc3)CCO2)n1 ZINC000111229369 220117058 /nfs/dbraw/zinc/11/70/58/220117058.db2.gz HQBIUYFYZYILOR-KRWDZBQOSA-N 0 0 343.431 0.912 10 0 ECAERN CCOCCN1CCN(C(=O)NC[C@H](C)N2CCOCC2)CC1 ZINC000111816442 220196623 /nfs/dbraw/zinc/19/66/23/220196623.db2.gz UVEZZBVJTCWVBZ-HNNXBMFYSA-N 0 0 328.457 0.071 10 0 ECAERN CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@H](C(N)=O)C(C)C)c1 ZINC000112014413 220228329 /nfs/dbraw/zinc/22/83/29/220228329.db2.gz ILDDSORGDCMJRX-LBPRGKRZSA-N 0 0 330.381 0.859 10 0 ECAERN Cc1cnn(C[C@H]2CN(C(=O)[C@H](C)NC(=O)c3ccoc3)CCO2)c1 ZINC000112064031 220235822 /nfs/dbraw/zinc/23/58/22/220235822.db2.gz UWOJFVJVBMHFDP-DZGCQCFKSA-N 0 0 346.387 0.830 10 0 ECAERN Cc1cnn(C[C@@H]2CN(C(=O)[C@@H](C)NC(=O)c3ccoc3)CCO2)c1 ZINC000112064026 220235849 /nfs/dbraw/zinc/23/58/49/220235849.db2.gz UWOJFVJVBMHFDP-HIFRSBDPSA-N 0 0 346.387 0.830 10 0 ECAERN Cc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)N1CCOCC1 ZINC000012442134 211383030 /nfs/dbraw/zinc/38/30/30/211383030.db2.gz BSNVAQLZDDVHML-INIZCTEOSA-N 0 0 331.416 0.544 10 0 ECAERN COCCNC(=O)c1ccc(N2C(=O)[C@@H](C)CS2(=O)=O)cc1 ZINC000012021023 211280009 /nfs/dbraw/zinc/28/00/09/211280009.db2.gz BTHDIBMHQLZHPS-JTQLQIEISA-N 0 0 326.374 0.375 10 0 ECAERN NC(=O)[C@H]1COCCN1C(=O)c1cc(Cl)nc(N2CCCC2)c1 ZINC000091779762 218065074 /nfs/dbraw/zinc/06/50/74/218065074.db2.gz KZCWEBXGXGWNSM-LLVKDONJSA-N 0 0 338.795 0.662 10 0 ECAERN CCN(C[C@H](O)c1cccc(O)c1)C(=O)C1CCN(CC(N)=O)CC1 ZINC000091877283 218083048 /nfs/dbraw/zinc/08/30/48/218083048.db2.gz DRTITFSULLGAKG-INIZCTEOSA-N 0 0 349.431 0.471 10 0 ECAERN Cc1ccccc1COC1CN(C(=O)C2CCN(CC(N)=O)CC2)C1 ZINC000091893236 218085004 /nfs/dbraw/zinc/08/50/04/218085004.db2.gz SKKICLAFEBFJJZ-UHFFFAOYSA-N 0 0 345.443 0.920 10 0 ECAERN NC(=O)[C@@H]1COCCN1CC(=O)N(Cc1ccco1)c1ccccc1 ZINC000092231312 218127884 /nfs/dbraw/zinc/12/78/84/218127884.db2.gz SFNHJRSCZNJRKY-INIZCTEOSA-N 0 0 343.383 0.999 10 0 ECAERN CCOc1ccc(-c2noc(CN3CCOC[C@H]3C(N)=O)n2)cc1 ZINC000092231351 218127902 /nfs/dbraw/zinc/12/79/02/218127902.db2.gz BOZRZMSQPZZFNW-ZDUSSCGKSA-N 0 0 332.360 0.821 10 0 ECAERN CN(C)c1ccc(C[NH+]2CCC3(CC2)NC(=O)C[C@@H]3C(=O)[O-])cn1 ZINC000095355988 218289902 /nfs/dbraw/zinc/28/99/02/218289902.db2.gz UMCUUSPUESEKOO-CYBMUJFWSA-N 0 0 332.404 0.703 10 0 ECAERN COc1ccc(S(=O)(=O)NC[C@@H]2CN(C)CCO2)c(C)c1F ZINC000181670964 533062284 /nfs/dbraw/zinc/06/22/84/533062284.db2.gz DAWIWTCKAXHGLL-LLVKDONJSA-N 0 0 332.397 0.752 10 0 ECAERN C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1ccccc1)C(=O)[O-] ZINC000004899787 210316049 /nfs/dbraw/zinc/31/60/49/210316049.db2.gz JLLJTMHNXQTMCK-UBHSHLNASA-N 0 0 333.388 0.137 10 0 ECAERN O=C(NCCc1cn2ccccc2n1)N[C@@H]1CCc2ncnn2C1 ZINC000112741816 220392959 /nfs/dbraw/zinc/39/29/59/220392959.db2.gz UYTWWCROYGFVRQ-GFCCVEGCSA-N 0 0 325.376 0.783 10 0 ECAERN O=C([C@@H]1CNC(=O)C1)N(CCO)Cc1cnn(Cc2ccccc2)c1 ZINC000154074134 224198748 /nfs/dbraw/zinc/19/87/48/224198748.db2.gz SYCGZCMKVQGZGA-INIZCTEOSA-N 0 0 342.399 0.388 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)[C@@H](C)NC(=O)c1ccco1)CC2 ZINC000114863415 220768573 /nfs/dbraw/zinc/76/85/73/220768573.db2.gz IYOUYEYMGKILCW-MNOVXSKESA-N 0 0 331.376 0.683 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)NCC(=O)N1CCCCC1)CC2 ZINC000114928389 220783664 /nfs/dbraw/zinc/78/36/64/220783664.db2.gz NMTIKBYOSDXFCJ-LBPRGKRZSA-N 0 0 334.424 0.467 10 0 ECAERN CC(=O)NCCCNC(=O)N1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC000117033296 221025325 /nfs/dbraw/zinc/02/53/25/221025325.db2.gz ICHFOKIUAKQFGK-OAHLLOKOSA-N 0 0 336.440 0.843 10 0 ECAERN Cn1cc(CNC(=O)N2CCN(C[C@H](O)c3ccccc3)CC2)cn1 ZINC000117038226 221027144 /nfs/dbraw/zinc/02/71/44/221027144.db2.gz DBXVSQQAQHURHT-KRWDZBQOSA-N 0 0 343.431 0.981 10 0 ECAERN COCCN1CCN(C(=O)c2nc3ccccc3c(=O)[nH]2)C[C@@H]1C ZINC000117398279 221059530 /nfs/dbraw/zinc/05/95/30/221059530.db2.gz LIZHGMTVCBYJFR-LBPRGKRZSA-N 0 0 330.388 0.716 10 0 ECAERN CCOCCN1CCN(C(=O)c2nc3nc(C)cc(C)n3n2)C[C@H]1C ZINC000117279126 221042174 /nfs/dbraw/zinc/04/21/74/221042174.db2.gz GPTOLXYWCGUQDR-CQSZACIVSA-N 0 0 346.435 0.924 10 0 ECAERN COCCN1CCN(C(=O)N[C@@H](C)CN2CCOCC2)C[C@H]1C ZINC000117478123 221067874 /nfs/dbraw/zinc/06/78/74/221067874.db2.gz BNYQJXAAQCEOLL-LSDHHAIUSA-N 0 0 328.457 0.069 10 0 ECAERN Cc1noc(C)c1CN1CCO[C@@H]2CN(C(=O)c3ccnnc3)C[C@@H]21 ZINC000252009035 257660286 /nfs/dbraw/zinc/66/02/86/257660286.db2.gz QVQFVWYHXXOUDT-JKSUJKDBSA-N 0 0 343.387 0.807 10 0 ECAERN CS(=O)(=O)NC[C@H]1CN(C(=O)c2ccsc2)Cc2ccnn21 ZINC000247527960 257680709 /nfs/dbraw/zinc/68/07/09/257680709.db2.gz NWSSCBHXRHFZHF-LBPRGKRZSA-N 0 0 340.430 0.691 10 0 ECAERN CS(=O)(=O)N1C[C@H]2C[N@H+](Cc3ccco3)CCC[C@@]2(C(=O)[O-])C1 ZINC000247523846 257680930 /nfs/dbraw/zinc/68/09/30/257680930.db2.gz MJEVXUPMLQQVDT-IUODEOHRSA-N 0 0 342.417 0.838 10 0 ECAERN COc1c(CN2CCN(c3ncccc3C(N)=O)CC2)c(C)nn1C ZINC000133180991 533415995 /nfs/dbraw/zinc/41/59/95/533415995.db2.gz WCYYNJPJYDWUCP-UHFFFAOYSA-N 0 0 344.419 0.553 10 0 ECAERN CCS(=O)(=O)NCCCN1CCN([C@@H](C)c2nc(C)no2)CC1 ZINC000132613460 296671326 /nfs/dbraw/zinc/67/13/26/296671326.db2.gz SUCRVKUHUIPTJZ-LBPRGKRZSA-N 0 0 345.469 0.386 10 0 ECAERN O=C(CCOc1ccc(F)cc1)NC[C@@H](O)CN1CCOCC1 ZINC000128981808 164683926 /nfs/dbraw/zinc/68/39/26/164683926.db2.gz OBUXLWCHGSHADQ-CQSZACIVSA-N 0 0 326.368 0.404 10 0 ECAERN Cc1nn(C)c(Cl)c1S(=O)(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000174002366 164865526 /nfs/dbraw/zinc/86/55/26/164865526.db2.gz WWMFTVCWISEFMD-NSHDSACASA-N 0 0 348.856 0.477 10 0 ECAERN CNC(=O)[C@H](NC(=O)CCc1nc(-c2ccncc2)no1)C(C)C ZINC000178685280 164919220 /nfs/dbraw/zinc/91/92/20/164919220.db2.gz FLYYZSZAIXDINW-CQSZACIVSA-N 0 0 331.376 0.951 10 0 ECAERN CCO[C@H]1C[C@@H](NS(=O)(=O)c2cnn(C)c2)C12CCOCC2 ZINC000185150126 164969568 /nfs/dbraw/zinc/96/95/68/164969568.db2.gz VXVUJYVTRMZEKK-OLZOCXBDSA-N 0 0 329.422 0.673 10 0 ECAERN CCC(CC)[C@@H](C(=O)N1CC(NC(=O)C2CC2)C1)N1CCOCC1 ZINC000189443892 165009228 /nfs/dbraw/zinc/00/92/28/165009228.db2.gz TWRXSWZCMCSWCJ-INIZCTEOSA-N 0 0 337.464 0.860 10 0 ECAERN CCn1cnnc1C1CCN(S(=O)(=O)[C@@H]2CCO[C@H]2C)CC1 ZINC000190059969 165018227 /nfs/dbraw/zinc/01/82/27/165018227.db2.gz GESINCIGQAORCT-WCQYABFASA-N 0 0 328.438 0.985 10 0 ECAERN C[C@H]1C(=O)NCCCN1C(=O)C(=O)Nc1c[nH]nc1-c1ccccc1 ZINC000190673218 165024209 /nfs/dbraw/zinc/02/42/09/165024209.db2.gz TUKGEXJDAGKYAJ-NSHDSACASA-N 0 0 341.371 0.752 10 0 ECAERN CC(=O)NC1CN(C(=O)[C@H]2CCN(c3ccc(F)c(F)c3)C2=O)C1 ZINC000191496097 165033363 /nfs/dbraw/zinc/03/33/63/165033363.db2.gz SHDVIGXNCDBPKP-GFCCVEGCSA-N 0 0 337.326 0.665 10 0 ECAERN C[C@H](C1CC1)n1nccc1NC(=O)C(=O)NC[C@@H]1CN(C)CCO1 ZINC000192022705 165039223 /nfs/dbraw/zinc/03/92/23/165039223.db2.gz KPQHAXJDENVTDN-DGCLKSJQSA-N 0 0 335.408 0.239 10 0 ECAERN CCn1c2ccccc2n(CC(=O)NC[C@@H]2CN(C)CCO2)c1=O ZINC000194624238 165068037 /nfs/dbraw/zinc/06/80/37/165068037.db2.gz SHIOBKWXTYZGKE-CYBMUJFWSA-N 0 0 332.404 0.270 10 0 ECAERN O=C(c1cccc(F)c1)N1CCCN(C(=O)[C@H]2CNC(=O)C2)CC1 ZINC000194865985 165072254 /nfs/dbraw/zinc/07/22/54/165072254.db2.gz UAIYCOLUVZLGEH-CYBMUJFWSA-N 0 0 333.363 0.636 10 0 ECAERN CS(=O)(=O)c1nc(C(=O)N2CCN3CCC[C@H]3C2)c2ccccn21 ZINC000195337739 165080901 /nfs/dbraw/zinc/08/09/01/165080901.db2.gz NNYFBNASZJHBDK-LBPRGKRZSA-N 0 0 348.428 0.658 10 0 ECAERN CC(C)n1nnnc1CS(=O)(=O)[C@@H](C)C(=O)N1CCC(C)CC1 ZINC000195427396 165081916 /nfs/dbraw/zinc/08/19/16/165081916.db2.gz WQMLIDAYNOLODN-LBPRGKRZSA-N 0 0 343.453 0.816 10 0 ECAERN CC(C)n1nnnc1CS(=O)(=O)CC(=O)N1CCC(C)CC1 ZINC000195427618 165082048 /nfs/dbraw/zinc/08/20/48/165082048.db2.gz SICSKVWUULZVBZ-UHFFFAOYSA-N 0 0 329.426 0.427 10 0 ECAERN Cc1nc(C[C@@H]2CCCN(CC(=O)NCC(=O)N3CCCC3)C2)no1 ZINC000195518102 165083618 /nfs/dbraw/zinc/08/36/18/165083618.db2.gz ZEZIWIGOFVREGS-AWEZNQCLSA-N 0 0 349.435 0.371 10 0 ECAERN C[C@H](O)CN1CCN(C(=O)[C@H](C)Oc2cccc(CO)c2)C[C@H]1C ZINC000245727618 165114622 /nfs/dbraw/zinc/11/46/22/165114622.db2.gz BSLQSGDEYCRMCN-ILXRZTDVSA-N 0 0 336.432 0.860 10 0 ECAERN NC(=O)[C@@H]1COCCN1C[C@H](O)COCc1ccc(Cl)cc1 ZINC000246078360 165122546 /nfs/dbraw/zinc/12/25/46/165122546.db2.gz HSUBJILKDVSIDG-KBPBESRZSA-N 0 0 328.796 0.404 10 0 ECAERN C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)CN1CCOC[C@H]1C(N)=O ZINC000246760070 165143176 /nfs/dbraw/zinc/14/31/76/165143176.db2.gz PMMDNLZRGNVZOH-YGRLFVJLSA-N 0 0 341.358 0.670 10 0 ECAERN CCOC(=O)c1nn(C)cc1CN1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000248668577 165184078 /nfs/dbraw/zinc/18/40/78/165184078.db2.gz AHSAHCDUNKPZSF-ZFWWWQNUSA-N 0 0 336.436 0.749 10 0 ECAERN CC[NH+]1CCN(Cc2ccc(CNC(=O)[C@@H]([NH3+])COC)cc2)CC1 ZINC000262248748 165315463 /nfs/dbraw/zinc/31/54/63/165315463.db2.gz IKFWLHZIRHJXHK-KRWDZBQOSA-N 0 0 334.464 0.414 10 0 ECAERN C[C@H]1OCCN[C@@H]1C(=O)N(C)Cc1ccccc1N1CCOCC1 ZINC000262267991 165320154 /nfs/dbraw/zinc/32/01/54/165320154.db2.gz MSLXZJGZPBGOFP-PBHICJAKSA-N 0 0 333.432 0.859 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NS(=O)(=O)Cc2cc(C)no2)C1 ZINC000262465347 165354055 /nfs/dbraw/zinc/35/40/55/165354055.db2.gz LPGFJXJKURLVJN-UHFFFAOYSA-N 0 0 331.394 0.340 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)c2ccc3c(c2)OCC(=O)N3)C1 ZINC000262724259 165378082 /nfs/dbraw/zinc/37/80/82/165378082.db2.gz RNSSUIRQINVVHG-UHFFFAOYSA-N 0 0 347.371 0.685 10 0 ECAERN COc1ccccc1CC(=O)N1CCO[C@@H](C[N@H+](C)CC(=O)[O-])C1 ZINC000262731740 165378810 /nfs/dbraw/zinc/37/88/10/165378810.db2.gz BAPCYNHLDIYWDX-AWEZNQCLSA-N 0 0 336.388 0.482 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)c2ccc(OCC(N)=O)cc2)C1 ZINC000262841483 165393527 /nfs/dbraw/zinc/39/35/27/165393527.db2.gz UNKKCSYPXPAMSX-UHFFFAOYSA-N 0 0 349.387 0.218 10 0 ECAERN C[N@@H+](CC(=O)[O-])C[C@H]1CN(C(=O)[C@@H]2CCOc3ccccc32)CCO1 ZINC000262865308 165397205 /nfs/dbraw/zinc/39/72/05/165397205.db2.gz CALYOISPTDETJS-DZGCQCFKSA-N 0 0 348.399 0.797 10 0 ECAERN C[N@@H+](CC(=O)[O-])C[C@@H]1CN(C(=O)CC[C@@H]2CCCCO2)CCO1 ZINC000262889991 165397884 /nfs/dbraw/zinc/39/78/84/165397884.db2.gz GUASMGXEWYDGJL-UONOGXRCSA-N 0 0 328.409 0.580 10 0 ECAERN C[N@@H+](CC(=O)[O-])C[C@H]1CN(C(=O)CC[C@H]2CCCCO2)CCO1 ZINC000262889985 165398453 /nfs/dbraw/zinc/39/84/53/165398453.db2.gz GUASMGXEWYDGJL-KGLIPLIRSA-N 0 0 328.409 0.580 10 0 ECAERN O=c1[nH]c(NCCCN2CCS(=O)(=O)CC2)nc2ccccc21 ZINC000301979244 296893664 /nfs/dbraw/zinc/89/36/64/296893664.db2.gz AIGSXSKWMFPQDI-UHFFFAOYSA-N 0 0 336.417 0.868 10 0 ECAERN O=C(CNC(=O)c1cccnc1)N1CCC(Nc2cccnn2)CC1 ZINC000164101900 226044098 /nfs/dbraw/zinc/04/40/98/226044098.db2.gz DEYAPSLJIFEOBG-UHFFFAOYSA-N 0 0 340.387 0.705 10 0 ECAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)N[C@@H]3CCN(C)C3=O)C2)n1 ZINC000163865627 226023157 /nfs/dbraw/zinc/02/31/57/226023157.db2.gz ZQLJFZHADFWMDA-ZIAGYGMSSA-N 0 0 334.424 0.547 10 0 ECAERN CCN1C[C@H](C(=O)N(C)[C@H]2CCCN(c3cccnn3)C2)CC1=O ZINC000122534982 222106707 /nfs/dbraw/zinc/10/67/07/222106707.db2.gz NLFIBRLSYRBFAV-KGLIPLIRSA-N 0 0 331.420 0.772 10 0 ECAERN NC(=O)N[C@H](Cc1ccccc1)C(=O)NCC(=O)NC1CCCCC1 ZINC000122645738 222130445 /nfs/dbraw/zinc/13/04/45/222130445.db2.gz INQFJEPHRZTSLZ-OAHLLOKOSA-N 0 0 346.431 0.831 10 0 ECAERN C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCc1cnn(C)c1 ZINC000054289210 263140611 /nfs/dbraw/zinc/14/06/11/263140611.db2.gz HCSGYRYCOKNSLO-JTQLQIEISA-N 0 0 347.400 0.164 10 0 ECAERN COCCN1CCN(C(=O)Nc2cnn(-c3ncccn3)c2)C[C@@H]1C ZINC000174892633 263151465 /nfs/dbraw/zinc/15/14/65/263151465.db2.gz UVWBQLPYYGOMSK-ZDUSSCGKSA-N 0 0 345.407 0.847 10 0 ECAERN Cc1ccc(NC(=O)C(=O)N2CCN(C[C@@H](C)O)[C@@H](C)C2)cc1F ZINC000177605361 263153797 /nfs/dbraw/zinc/15/37/97/263153797.db2.gz DRTLIXCKMVFJRI-QWHCGFSZSA-N 0 0 337.395 0.986 10 0 ECAERN CC(=O)NC1CN(S(=O)(=O)c2c(C)nn(CC(C)C)c2C)C1 ZINC000188556907 263161959 /nfs/dbraw/zinc/16/19/59/263161959.db2.gz YDSPOZVEXQJAJR-UHFFFAOYSA-N 0 0 328.438 0.665 10 0 ECAERN Cc1ccccc1C[C@@H](CO)NC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000190163180 263163784 /nfs/dbraw/zinc/16/37/84/263163784.db2.gz WIZJZHJAVLDGIF-CABCVRRESA-N 0 0 329.404 0.804 10 0 ECAERN CC(=O)NC1CN(C(=O)c2cc(Br)c(C)[nH]c2=O)C1 ZINC000191480267 263165178 /nfs/dbraw/zinc/16/51/78/263165178.db2.gz NSECMXRZVYIKIV-UHFFFAOYSA-N 0 0 328.166 0.819 10 0 ECAERN CCCS(=O)(=O)CC(=O)NC1CC([N@@H+](CC(=O)[O-])CC2CC2)C1 ZINC000262696808 263177472 /nfs/dbraw/zinc/17/74/72/263177472.db2.gz GRFOXKZOZTYGKU-UHFFFAOYSA-N 0 0 346.449 0.255 10 0 ECAERN COc1cncc(S(=O)(=O)N[C@@H]2CCC(=O)NC23CCC3)c1 ZINC000283169598 264090561 /nfs/dbraw/zinc/09/05/61/264090561.db2.gz KXFVAJQSANFYAG-GFCCVEGCSA-N 0 0 325.390 0.570 10 0 ECAERN COc1ccc2[nH]cc(CC(=O)N3C[C@@H](OC)C[C@H]3C(N)=O)c2c1 ZINC000284614770 264234661 /nfs/dbraw/zinc/23/46/61/264234661.db2.gz ONIWBCMBFSPVKL-WFASDCNBSA-N 0 0 331.372 0.820 10 0 ECAERN C[C@@H]1OCC[C@@H]1NC(=O)c1cnn(C)c1I ZINC000294666650 265015748 /nfs/dbraw/zinc/01/57/48/265015748.db2.gz TYHSRRDPDLCLDN-XPUUQOCRSA-N 0 0 335.145 0.932 10 0 ECAERN O=C(NC1CN(C(=O)c2ccc(-c3ccco3)[nH]c2=O)C1)C1CC1 ZINC000189502854 437604039 /nfs/dbraw/zinc/60/40/39/437604039.db2.gz MVSZIEHVKXEHJA-UHFFFAOYSA-N 0 0 327.340 0.986 10 0 ECAERN CN1CC[C@H](NC(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2ccccc2)C1=O ZINC000172544667 290211938 /nfs/dbraw/zinc/21/19/38/290211938.db2.gz ANVFKNWSLKQMLW-OFQRWUPVSA-N 0 0 329.400 0.943 10 0 ECAERN NC(=O)[C@@H]1COCCN1C(=O)c1cc(Br)ccc1O ZINC000180274520 295119917 /nfs/dbraw/zinc/11/99/17/295119917.db2.gz ILYFDWMBHLKRJC-VIFPVBQESA-N 0 0 329.150 0.481 10 0 ECAERN CN(CC1CC(O)C1)S(=O)(=O)c1cccc(-c2nnnn2C)c1 ZINC000333044201 297104117 /nfs/dbraw/zinc/10/41/17/297104117.db2.gz FUACOKYCHWIBHS-UHFFFAOYSA-N 0 0 337.405 0.269 10 0 ECAERN O=C1CN(C2CCCC2)C(=O)N1Cc1nnnn1CC1CCOCC1 ZINC000333060015 297105184 /nfs/dbraw/zinc/10/51/84/297105184.db2.gz SEDRSPSXIYSGSP-UHFFFAOYSA-N 0 0 348.407 0.807 10 0 ECAERN O=C(C1CCCC1)N1CCC[C@@H]1C(=O)N1CCN2C(=O)N=NC2C1 ZINC000333088102 297108321 /nfs/dbraw/zinc/10/83/21/297108321.db2.gz NOBABGIQKORVKO-GFCCVEGCSA-N 0 0 333.392 0.507 10 0 ECAERN O=C(NC[C@@H]1CCCO1)[C@@H]1CC(=O)C[C@@H]1C(=O)NC[C@@H]1CCCO1 ZINC000333363003 297128042 /nfs/dbraw/zinc/12/80/42/297128042.db2.gz UQYWOJMABXQTAD-ZQDZILKHSA-N 0 0 338.404 0.172 10 0 ECAERN Cc1c(C(=O)N2CCN3C(=O)N=NC3C2)cccc1N1CCNC1=O ZINC000333417224 297132531 /nfs/dbraw/zinc/13/25/31/297132531.db2.gz HKQWJLIKUGIZDS-UHFFFAOYSA-N 0 0 342.359 0.478 10 0 ECAERN O=S(=O)(c1c[nH]cn1)N1CCC(c2ccnn2CCO)CC1 ZINC000333436375 297134007 /nfs/dbraw/zinc/13/40/07/297134007.db2.gz ITEKGOHTNPAVLN-UHFFFAOYSA-N 0 0 325.394 0.167 10 0 ECAERN CO[C@H]1C[C@@H](CO)N(CC(=O)NCCOc2c(C)cccc2C)C1 ZINC000344711561 298057550 /nfs/dbraw/zinc/05/75/50/298057550.db2.gz LJUCEMGAWOCJJB-HOTGVXAUSA-N 0 0 336.432 0.880 10 0 ECAERN COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC000361671174 300114023 /nfs/dbraw/zinc/11/40/23/300114023.db2.gz IJKHRQWHVHTBLH-LOWDOPEQSA-N 0 0 329.418 0.754 10 0 ECAERN CO[C@@H]1[C@@H](C)[C@@H](NC(=O)[C@H]2C[C@H](OC)CN2S(C)(=O)=O)C1(C)C ZINC000365541636 300458381 /nfs/dbraw/zinc/45/83/81/300458381.db2.gz UTOLWWYLDLUUCP-KIJLLGNVSA-N 0 0 348.465 0.211 10 0 ECAERN O=C(CCCCCCCN1C(=O)C=CC1=O)ON1C(=O)CCC1=O ZINC000002565910 435967245 /nfs/dbraw/zinc/96/72/45/435967245.db2.gz AXYCKCSVVUIIMW-UHFFFAOYSA-N 0 0 336.344 0.859 10 0 ECAERN O=C(CN1CC(=O)N2CCC[C@H]2C1=O)NCc1cccc(Cl)c1 ZINC000006847063 436005565 /nfs/dbraw/zinc/00/55/65/436005565.db2.gz PBCFYENWDJQTJK-ZDUSSCGKSA-N 0 0 335.791 0.789 10 0 ECAERN CCN(CCn1cccn1)C(=O)C[C@@H]1C(=O)NCCN1CC=C(C)C ZINC000014957168 436075199 /nfs/dbraw/zinc/07/51/99/436075199.db2.gz FLCJBMDDUKFCSU-MRXNPFEDSA-N 0 0 347.463 0.888 10 0 ECAERN C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000075262989 436159182 /nfs/dbraw/zinc/15/91/82/436159182.db2.gz JOVFMQVRRPGZFX-NWDGAFQWSA-N 0 0 336.417 0.987 10 0 ECAERN C[C@H](C(=O)N[C@H]1CCCC[C@@H]1CO)N1C(=O)NC2(CCCC2)C1=O ZINC000378296626 301427664 /nfs/dbraw/zinc/42/76/64/301427664.db2.gz VMSGYUGGBAISDK-UPJWGTAASA-N 0 0 337.420 0.907 10 0 ECAERN Nc1nc(N)c2cc(S(=O)(=O)N3CCSCC3)ccc2n1 ZINC000029466547 436202728 /nfs/dbraw/zinc/20/27/28/436202728.db2.gz AVCKDYXSGNODOH-UHFFFAOYSA-N 0 0 325.419 0.532 10 0 ECAERN CC(=O)N[C@@H]1CCCN(CC(=O)N2CCN(Cc3ccco3)CC2)C1 ZINC000077170322 436226954 /nfs/dbraw/zinc/22/69/54/436226954.db2.gz BEMQGOLBHPMDNV-MRXNPFEDSA-N 0 0 348.447 0.524 10 0 ECAERN CCn1c2ccc(S(=O)(=O)N3CCNCC3)cc2sc1=O ZINC000032918257 436247754 /nfs/dbraw/zinc/24/77/54/436247754.db2.gz IVVVYVOORVALHV-UHFFFAOYSA-N 0 0 327.431 0.677 10 0 ECAERN NS(=O)(=O)c1cccc(S(=O)(=O)NCC[C@@H]2CCCO2)c1 ZINC000044315815 436339405 /nfs/dbraw/zinc/33/94/05/436339405.db2.gz GCBALZYNOMRBMI-JTQLQIEISA-N 0 0 334.419 0.181 10 0 ECAERN CNS(=O)(=O)c1cc(C(=O)N2[C@H](C)COC[C@H]2C)ccc1F ZINC000084190048 436379206 /nfs/dbraw/zinc/37/92/06/436379206.db2.gz KPTSNXQBBHJDAX-NXEZZACHSA-N 0 0 330.381 0.983 10 0 ECAERN O=C(c1ccc(Br)o1)N1CC[C@]2(C1)NC(=O)NC2=O ZINC000084796143 436385739 /nfs/dbraw/zinc/38/57/39/436385739.db2.gz CGRGTDBQLHBVOC-LLVKDONJSA-N 0 0 328.122 0.466 10 0 ECAERN CN(C)C[C@H](NC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccccc1 ZINC000047594684 436424086 /nfs/dbraw/zinc/42/40/86/436424086.db2.gz YCLCPZJTKYGGAV-KBPBESRZSA-N 0 0 325.434 0.776 10 0 ECAERN CN(C)C[C@@H](NC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccccc1 ZINC000047594685 436424411 /nfs/dbraw/zinc/42/44/11/436424411.db2.gz YCLCPZJTKYGGAV-UONOGXRCSA-N 0 0 325.434 0.776 10 0 ECAERN CCCN(Cc1ccc(C)cc1)C(=O)CN1CCOC[C@H]1C(N)=O ZINC000092231289 436468854 /nfs/dbraw/zinc/46/88/54/436468854.db2.gz NQDSDOHZSKHKQW-INIZCTEOSA-N 0 0 333.432 0.920 10 0 ECAERN Cc1nccn1-c1cncc(NC2CCN(S(C)(=O)=O)CC2)n1 ZINC000092886820 436478838 /nfs/dbraw/zinc/47/88/38/436478838.db2.gz QHZFYVWVLLKDMX-UHFFFAOYSA-N 0 0 336.421 0.807 10 0 ECAERN CCCc1cc(NC(=O)C(=O)N2CCC[C@@H](NC(C)=O)C2)n(C)n1 ZINC000093200213 436483859 /nfs/dbraw/zinc/48/38/59/436483859.db2.gz FQLPGGRKWRYRSZ-CYBMUJFWSA-N 0 0 335.408 0.438 10 0 ECAERN C[C@H](CNC(=O)NCC(=O)Nc1cccc(F)c1)N1CCOCC1 ZINC000051270709 436486723 /nfs/dbraw/zinc/48/67/23/436486723.db2.gz AJUXXUVGEVZWOB-GFCCVEGCSA-N 0 0 338.383 0.784 10 0 ECAERN COC(=O)c1coc(CN2CCN(c3ccc4nncn4n3)CC2)c1 ZINC000105817456 436580192 /nfs/dbraw/zinc/58/01/92/436580192.db2.gz LQNWGJIUBGCQGL-UHFFFAOYSA-N 0 0 342.359 0.826 10 0 ECAERN COC(=O)/C=C\c1cc(S(=O)(=O)N2CCOCC2)ccc1OC ZINC000096503733 436534510 /nfs/dbraw/zinc/53/45/10/436534510.db2.gz XBXIBGZCRMXLGJ-UTCJRWHESA-N 0 0 341.385 0.902 10 0 ECAERN Cn1cc(-n2ccc(=O)c(Cc3cccc(-c4nnn(C)n4)c3)n2)cn1 ZINC000098184555 436545550 /nfs/dbraw/zinc/54/55/50/436545550.db2.gz NEDMOVYALVLBGP-UHFFFAOYSA-N 0 0 348.370 0.747 10 0 ECAERN C[C@H](NC(=O)NC[C@H]1CN(C)CCO1)c1ccc2c(c1)CC(=O)N2 ZINC000104790847 436562190 /nfs/dbraw/zinc/56/21/90/436562190.db2.gz GRHJGZDDIVMUJW-FZMZJTMJSA-N 0 0 332.404 0.872 10 0 ECAERN Cc1nc2ccccc2n1CCNC(=O)NC[C@H]1CN(C)CCO1 ZINC000104778329 436563194 /nfs/dbraw/zinc/56/31/94/436563194.db2.gz AAHRMYYFTIDNSS-AWEZNQCLSA-N 0 0 331.420 0.975 10 0 ECAERN CCCC(=O)NC[C@H]1CCCN(C(=O)NC[C@H]2CN(C)CCO2)C1 ZINC000105279438 436571062 /nfs/dbraw/zinc/57/10/62/436571062.db2.gz GITPMEUZIUDMEL-CABCVRRESA-N 0 0 340.468 0.655 10 0 ECAERN C[C@@H](NC(=O)c1ccco1)C(=O)NCCC1N=NC(=S)N1C1CC1 ZINC000109059051 436622493 /nfs/dbraw/zinc/62/24/93/436622493.db2.gz IXNQCQFHVAWEKK-SECBINFHSA-N 0 0 349.416 0.972 10 0 ECAERN COC[C@H](C)C(=O)N1CCC(CC(=O)N2CCN(C)CC2)CC1 ZINC000108999796 436622817 /nfs/dbraw/zinc/62/28/17/436622817.db2.gz ZFOXWGCBWMAUPP-AWEZNQCLSA-N 0 0 325.453 0.672 10 0 ECAERN CCOc1ccnc(N2CCN(Cc3nnnn3C(C)C)CC2)n1 ZINC000105868646 436583076 /nfs/dbraw/zinc/58/30/76/436583076.db2.gz XPHHDAXMBXNTQD-UHFFFAOYSA-N 0 0 332.412 0.765 10 0 ECAERN C[C@H](C(=O)NC(N)=O)N1CCN(Cc2cnn(C(C)(C)C)c2)CC1 ZINC000105866034 436584032 /nfs/dbraw/zinc/58/40/32/436584032.db2.gz RTYLIGIVXLCEGX-GFCCVEGCSA-N 0 0 336.440 0.339 10 0 ECAERN CC(C)CCOCCNC(=O)CN1CCO[C@H](Cn2cccn2)C1 ZINC000105890570 436584166 /nfs/dbraw/zinc/58/41/66/436584166.db2.gz ROAGHUOYMOPLQD-INIZCTEOSA-N 0 0 338.452 0.763 10 0 ECAERN CN(c1cccnn1)C1CCN(CC(=O)NC[C@@H]2CCCO2)CC1 ZINC000105910564 436585903 /nfs/dbraw/zinc/58/59/03/436585903.db2.gz FFZMXECQFSTUBC-HNNXBMFYSA-N 0 0 333.436 0.672 10 0 ECAERN C[C@H](C(=O)N1CCCC1)N1CCN(C[C@@H](O)COC(C)(C)C)CC1 ZINC000105921901 436587003 /nfs/dbraw/zinc/58/70/03/436587003.db2.gz ZYOZMZWVSMMQFM-HZPDHXFCSA-N 0 0 341.496 0.791 10 0 ECAERN C[C@H](C(=O)N(C)C)N1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000105921970 436587391 /nfs/dbraw/zinc/58/73/91/436587391.db2.gz PERYKYVAEFXVLQ-CVEARBPZSA-N 0 0 335.448 0.521 10 0 ECAERN CN(C)C(=O)C1(CNC(=O)NC[C@@H]2CN(C)CCO2)CCCC1 ZINC000113389314 436637214 /nfs/dbraw/zinc/63/72/14/436637214.db2.gz PUCZNSSHCJPWLX-CYBMUJFWSA-N 0 0 326.441 0.265 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NS(=O)(=O)N1CCCCCC1)CC2 ZINC000114874247 436644531 /nfs/dbraw/zinc/64/45/31/436644531.db2.gz XCMWNEWCJIIXQY-LBPRGKRZSA-N 0 0 327.454 0.866 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)Nc1ccn(CCOC)n1)CC2 ZINC000114977717 436645516 /nfs/dbraw/zinc/64/55/16/436645516.db2.gz CJIZOYNARVJNAH-NSHDSACASA-N 0 0 333.396 0.820 10 0 ECAERN Cn1cc(CN2CCCN(S(=O)(=O)c3cnn(C)c3)CC2)cn1 ZINC000115581064 436647746 /nfs/dbraw/zinc/64/77/46/436647746.db2.gz UPANSFXFGBNQCT-UHFFFAOYSA-N 0 0 338.437 0.050 10 0 ECAERN CN1CCO[C@@H](CNC(=O)NC[C@@](C)(O)c2ccc(F)cc2F)C1 ZINC000114526742 436642542 /nfs/dbraw/zinc/64/25/42/436642542.db2.gz BQOOCUBJOOIZRW-BLLLJJGKSA-N 0 0 343.374 0.802 10 0 ECAERN CC[C@H](C)[C@@H](NC(=O)CN1CC[C@H](c2cnn(C)c2)C1)C(=O)OC ZINC000116321487 436650191 /nfs/dbraw/zinc/65/01/91/436650191.db2.gz QQDAQLRRDNKABK-HEHGZKQESA-N 0 0 336.436 0.913 10 0 ECAERN Cn1cc([C@H]2CCN(CC(=O)NCC(C)(C)N3CCOCC3)C2)cn1 ZINC000116314555 436650230 /nfs/dbraw/zinc/65/02/30/436650230.db2.gz PPWAYVCKPHQIEN-HNNXBMFYSA-N 0 0 349.479 0.436 10 0 ECAERN O=C(Cn1cncc(C(=O)NC2CC2)c1=O)NCc1ccccc1 ZINC000065232427 436652766 /nfs/dbraw/zinc/65/27/66/436652766.db2.gz FWPNWLWOBIHTKT-UHFFFAOYSA-N 0 0 326.356 0.452 10 0 ECAERN O=C(NC[C@H](O)CN1CCOCC1)Nc1cc(F)c(F)cc1F ZINC000120503953 436690472 /nfs/dbraw/zinc/69/04/72/436690472.db2.gz WIWCELMFDOGAQU-VIFPVBQESA-N 0 0 333.310 0.919 10 0 ECAERN C[C@H](NC(=O)c1ccc2c(c1)C(=O)NC2=O)c1nnc2n1CCCC2 ZINC000150970876 436694453 /nfs/dbraw/zinc/69/44/53/436694453.db2.gz KOLDTOYOFPJBIR-VIFPVBQESA-N 0 0 339.355 0.989 10 0 ECAERN O=C(Nc1ccc(-n2cncn2)c(F)c1)C(=O)N1CCC[C@H]1CO ZINC000120961110 436703365 /nfs/dbraw/zinc/70/33/65/436703365.db2.gz CLKLZOWPAWRTFN-NSHDSACASA-N 0 0 333.323 0.328 10 0 ECAERN CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)NC[C@@H]1CN(C)CCO1 ZINC000194623674 436668914 /nfs/dbraw/zinc/66/89/14/436668914.db2.gz HDMHWXULPIEIBS-AEFFLSMTSA-N 0 0 345.443 0.969 10 0 ECAERN COc1ccc(C(=O)N[C@@H]2CCCn3ncnc32)cc1-n1cnnn1 ZINC000120367500 436685311 /nfs/dbraw/zinc/68/53/11/436685311.db2.gz UUZVJFNZJYKDPB-LLVKDONJSA-N 0 0 340.347 0.527 10 0 ECAERN COCCN1CCN(C(=O)NCCCNC(=O)C(C)C)C[C@H]1C ZINC000121930799 436730028 /nfs/dbraw/zinc/73/00/28/436730028.db2.gz TWUQXZIMHNZNEH-CQSZACIVSA-N 0 0 328.457 0.511 10 0 ECAERN CC(C)[C@@H](O)CC(=O)NCc1ccccc1S(=O)(=O)N(C)C ZINC000154735236 436784550 /nfs/dbraw/zinc/78/45/50/436784550.db2.gz ZDWPJPOHQBEFLY-ZDUSSCGKSA-N 0 0 328.434 0.960 10 0 ECAERN O=C(CCc1ccccc1)N1CC[C@H](NC(=O)[C@H]2CNC(=O)C2)C1 ZINC000154899576 436787614 /nfs/dbraw/zinc/78/76/14/436787614.db2.gz HUQPNNIFOMSMFY-CABCVRRESA-N 0 0 329.400 0.472 10 0 ECAERN Cc1ccc(N2CCCN([C@@H](C)C(=O)NC[C@H]3CCCO3)CC2)nn1 ZINC000247248053 436791758 /nfs/dbraw/zinc/79/17/58/436791758.db2.gz SWTHXLJGBMOAND-JKSUJKDBSA-N 0 0 347.463 0.981 10 0 ECAERN Cc1ccn(C)c(=O)c1NC(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000155496489 436796777 /nfs/dbraw/zinc/79/67/77/436796777.db2.gz VKWYJXRMXXMGFX-UONOGXRCSA-N 0 0 334.420 0.878 10 0 ECAERN C[C@@H](NC(=O)CN(C)[C@@H](C)c1cnn(C)c1)C(=O)N1CCCCC1 ZINC000252830522 436840075 /nfs/dbraw/zinc/84/00/75/436840075.db2.gz AFHSWEIZSSVBQA-KGLIPLIRSA-N 0 0 335.452 0.930 10 0 ECAERN C[C@@H]1CN(C(=O)c2cnc(-c3cnn(C)c3)s2)C[C@H](C(N)=O)O1 ZINC000157382296 436827407 /nfs/dbraw/zinc/82/74/07/436827407.db2.gz HQJJEEZJXLODCI-PSASIEDQSA-N 0 0 335.389 0.258 10 0 ECAERN C[C@H](CNC(=O)NCc1cn(C)nc1C(F)(F)F)N1CCOCC1 ZINC000157560024 436829635 /nfs/dbraw/zinc/82/96/35/436829635.db2.gz NESQGIDXJTYIPS-SNVBAGLBSA-N 0 0 349.357 0.959 10 0 ECAERN O=C(Nc1ccc(F)nc1)C(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000163483501 436924490 /nfs/dbraw/zinc/92/44/90/436924490.db2.gz KDLDFZPBUKUMTB-GFCCVEGCSA-N 0 0 333.323 0.283 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)[C@@H](NC(=O)COC)C(C)C)CC2 ZINC000133689444 436883327 /nfs/dbraw/zinc/88/33/27/436883327.db2.gz ITVFAGABOGEYMJ-ABAIWWIYSA-N 0 0 337.424 0.059 10 0 ECAERN CCC1CCC(NC(=O)CNS(=O)(=O)c2cn(C)cn2)CC1 ZINC000133790439 436885839 /nfs/dbraw/zinc/88/58/39/436885839.db2.gz ZCCFYUKWFPIOHH-UHFFFAOYSA-N 0 0 328.438 0.783 10 0 ECAERN CC(C)[C@]1(C)C[C@@H]1NC(=O)N1CCO[C@@H](C[N@H+](C)CC(=O)[O-])C1 ZINC000263323001 436962609 /nfs/dbraw/zinc/96/26/09/436962609.db2.gz ASSAUXQMFHBULZ-XEZPLFJOSA-N 0 0 327.425 0.848 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NS(=O)(=O)c2c(C)n[nH]c2C)C1 ZINC000263481309 436967627 /nfs/dbraw/zinc/96/76/27/436967627.db2.gz KWPFJKCVAJIDJG-UHFFFAOYSA-N 0 0 330.410 0.242 10 0 ECAERN C[C@@H](NC(=O)NCCCN1CCOCC1)c1nnc2n1CCCC2 ZINC000136208289 436930226 /nfs/dbraw/zinc/93/02/26/436930226.db2.gz PJTGHDOGCCNRSH-CYBMUJFWSA-N 0 0 336.440 0.697 10 0 ECAERN COCC[NH2+]CC(=O)N(C)C[C@H](c1cccs1)N1CCOCC1 ZINC000168180627 436940385 /nfs/dbraw/zinc/94/03/85/436940385.db2.gz TZLKSVINRUGJRE-CQSZACIVSA-N 0 0 341.477 0.816 10 0 ECAERN CC(=O)NC1CCN(C(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)CC1 ZINC000169893130 436944058 /nfs/dbraw/zinc/94/40/58/436944058.db2.gz GURFTSLNQNSQKV-LLVKDONJSA-N 0 0 343.383 0.798 10 0 ECAERN CCN(CC)C(=O)CN1CCCN(C(=O)[C@H]2CC(F)(F)CN2)CC1 ZINC000262957216 436946465 /nfs/dbraw/zinc/94/64/65/436946465.db2.gz KHJXKUISLIAZPB-CYBMUJFWSA-N 0 0 346.422 0.386 10 0 ECAERN Cc1nc2c(c(=O)[nH]n2C)c(C)c1CNC(=O)[C@H]1CC(F)(F)CN1 ZINC000263182049 436954543 /nfs/dbraw/zinc/95/45/43/436954543.db2.gz GVFNIOPYRIXNMF-SNVBAGLBSA-N 0 0 339.346 0.492 10 0 ECAERN O=C(CCNC(=O)c1[nH]nc2ccccc21)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000170828902 436954682 /nfs/dbraw/zinc/95/46/82/436954682.db2.gz IRMARAWXSLQITF-CYBMUJFWSA-N 0 0 341.415 0.989 10 0 ECAERN CN(c1cccnn1)C1CCN(C(=O)[C@H]2CC(F)(F)CN2)CC1 ZINC000263229060 436957691 /nfs/dbraw/zinc/95/76/91/436957691.db2.gz NEMNCGKQDPMNCC-GFCCVEGCSA-N 0 0 325.363 0.901 10 0 ECAERN Cn1cc([C@H]2CCCN2C(=O)NCCC(=O)N2CCN(C)CC2)cn1 ZINC000170891806 436958272 /nfs/dbraw/zinc/95/82/72/436958272.db2.gz FFBDKQGGOAEUFF-OAHLLOKOSA-N 0 0 348.451 0.431 10 0 ECAERN CCOCC[N@@H+]1CCN(C(=O)CNC(=O)c2ccccn2)C[C@@H]1CC ZINC000172552305 437019099 /nfs/dbraw/zinc/01/90/99/437019099.db2.gz YMTPENUYQYYEQX-HNNXBMFYSA-N 0 0 348.447 0.771 10 0 ECAERN CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000172002197 436995727 /nfs/dbraw/zinc/99/57/27/436995727.db2.gz VXECRKIHHRHMPI-UDLQBDOPSA-N 0 0 349.460 0.967 10 0 ECAERN CC(C)c1nnnn1CC(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000173362724 437046066 /nfs/dbraw/zinc/04/60/66/437046066.db2.gz OYVJULSUWUEJHV-LLVKDONJSA-N 0 0 332.412 0.643 10 0 ECAERN CNc1cc(N2CCC[C@H]2CNC(=O)c2cc(C)nn2C)ncn1 ZINC000173431927 437050326 /nfs/dbraw/zinc/05/03/26/437050326.db2.gz GFUHFDLHLFYSAD-LBPRGKRZSA-N 0 0 329.408 0.959 10 0 ECAERN CC(=O)NCC(=O)NCC(=O)N1CCC[C@H](c2nc(C)cs2)C1 ZINC000173430242 437050991 /nfs/dbraw/zinc/05/09/91/437050991.db2.gz XWPJWMDYFDMNTA-LBPRGKRZSA-N 0 0 338.433 0.410 10 0 ECAERN CCc1nccn1[C@@H]1CCCN(C(=O)C(C)(C)NS(C)(=O)=O)C1 ZINC000173571869 437056125 /nfs/dbraw/zinc/05/61/25/437056125.db2.gz UWKWLRXGJYYGRV-GFCCVEGCSA-N 0 0 342.465 0.937 10 0 ECAERN CC(C)n1cc([C@]2(O)CCCN(Cc3nc(N(C)C)no3)C2)nn1 ZINC000284693811 437062501 /nfs/dbraw/zinc/06/25/01/437062501.db2.gz SBSSRHGIAYWUHI-HNNXBMFYSA-N 0 0 335.412 0.792 10 0 ECAERN COCCCS(=O)(=O)N1CCCN(Cc2noc(C)n2)CC1 ZINC000173824906 437066701 /nfs/dbraw/zinc/06/67/01/437066701.db2.gz DWPGKVRLRDSVER-UHFFFAOYSA-N 0 0 332.426 0.252 10 0 ECAERN CC1(C)COCCN1CCNC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000173892358 437068031 /nfs/dbraw/zinc/06/80/31/437068031.db2.gz XFKUITDTNHSCPG-OAHLLOKOSA-N 0 0 340.468 0.213 10 0 ECAERN COc1ccc(S(=O)(=O)N2CC[C@H](N3CCOCC3)C2)cc1 ZINC000174000417 437071154 /nfs/dbraw/zinc/07/11/54/437071154.db2.gz YIPYSANZDWLHRF-ZDUSSCGKSA-N 0 0 326.418 0.790 10 0 ECAERN O=S(=O)(c1ccc2c(c1)CCCC2)N1CC[C@@](O)(c2cn[nH]n2)C1 ZINC000285187548 437075307 /nfs/dbraw/zinc/07/53/07/437075307.db2.gz UXYMLHJNQVACQQ-INIZCTEOSA-N 0 0 348.428 0.966 10 0 ECAERN O[C@H](CNC1(c2noc(C3CC3)n2)CCCC1)CN1CCOCC1 ZINC000174247212 437076842 /nfs/dbraw/zinc/07/68/42/437076842.db2.gz FKKPCJVTHSAHBK-CQSZACIVSA-N 0 0 336.436 0.999 10 0 ECAERN CCCNC(=O)CCC(=O)N[C@@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000174985716 437091904 /nfs/dbraw/zinc/09/19/04/437091904.db2.gz AMYCYMHCWWJZGV-CYBMUJFWSA-N 0 0 349.435 0.647 10 0 ECAERN CN1CCO[C@@H](CNC(=O)NCc2ccc([S@](C)=O)cc2)C1 ZINC000175506359 437106880 /nfs/dbraw/zinc/10/68/80/437106880.db2.gz VHNKDJDTIZXCPW-XMHCIUCPSA-N 0 0 325.434 0.554 10 0 ECAERN COCCN1C(=O)N[C@@H]2CN(C(=O)c3n[nH]c4ccccc43)CC[C@@H]21 ZINC000299746318 437110376 /nfs/dbraw/zinc/11/03/76/437110376.db2.gz WQIFLANQOMUDCK-KGLIPLIRSA-N 0 0 343.387 0.818 10 0 ECAERN Cn1cc([C@@H]2CN(S(=O)(=O)CC[C@H]3CCCO3)CCO2)cn1 ZINC000299754328 437110893 /nfs/dbraw/zinc/11/08/93/437110893.db2.gz QGWOTOVHXIYMSZ-KGLIPLIRSA-N 0 0 329.422 0.692 10 0 ECAERN Cc1ccc(N2CC[C@@H](NC(=O)NC[C@H]3CN(C)CCO3)C2=O)cc1 ZINC000176432628 437143554 /nfs/dbraw/zinc/14/35/54/437143554.db2.gz WYNZIIVVMUDJNQ-JKSUJKDBSA-N 0 0 346.431 0.730 10 0 ECAERN Cc1oc(C(=O)N2CCN3CCCC[C@H]3C2)cc1S(N)(=O)=O ZINC000176464348 437143813 /nfs/dbraw/zinc/14/38/13/437143813.db2.gz KKZKSXPKPYMLMM-NSHDSACASA-N 0 0 327.406 0.546 10 0 ECAERN COc1ccc(CN2CCN(c3cncc4ncnn43)CC2)cn1 ZINC000276655985 437145224 /nfs/dbraw/zinc/14/52/24/437145224.db2.gz YLURGVMRIGUMRC-UHFFFAOYSA-N 0 0 325.376 0.850 10 0 ECAERN COC(=O)CN1CCN(c2nc(C(F)(F)F)nc3nc[nH]c32)CC1 ZINC000302818029 437151393 /nfs/dbraw/zinc/15/13/93/437151393.db2.gz CFKUSBQJTZVRCT-UHFFFAOYSA-N 0 0 344.297 0.667 10 0 ECAERN Cn1cncc1CN1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000177058203 437165389 /nfs/dbraw/zinc/16/53/89/437165389.db2.gz PQCLPYVLAMJXBT-KRWDZBQOSA-N 0 0 330.432 0.978 10 0 ECAERN Cc1nc(CNC(=O)N2CCN(C[C@@H](O)c3ccccc3)CC2)no1 ZINC000175691364 437114119 /nfs/dbraw/zinc/11/41/19/437114119.db2.gz PRYNJOHXDDDVMF-OAHLLOKOSA-N 0 0 345.403 0.939 10 0 ECAERN Cc1cnn(C[C@@H]2CN(C(=O)C(=O)Nc3nc(C)cs3)CCO2)c1 ZINC000176019292 437127037 /nfs/dbraw/zinc/12/70/37/437127037.db2.gz GTFUNTMRALGBMQ-LBPRGKRZSA-N 0 0 349.416 0.823 10 0 ECAERN CN1CCO[C@H]2CN(c3cnn(C)c(=O)c3Br)C[C@@H]21 ZINC000301644129 437127758 /nfs/dbraw/zinc/12/77/58/437127758.db2.gz HHLMNXIFUWCGFQ-UWVGGRQHSA-N 0 0 329.198 0.062 10 0 ECAERN CC(C)(C)OC(=O)[C@H]1CCN(C(=O)N[C@@H]2CCc3ncnn3C2)C1 ZINC000176273485 437138609 /nfs/dbraw/zinc/13/86/09/437138609.db2.gz NKPBNURRAJEKLV-NWDGAFQWSA-N 0 0 335.408 0.966 10 0 ECAERN COCCn1cc(NC(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)cn1 ZINC000177230150 437174415 /nfs/dbraw/zinc/17/44/15/437174415.db2.gz SZDFRSRZSNNIMZ-DZGCQCFKSA-N 0 0 337.424 0.714 10 0 ECAERN C[C@@H]1CN(C(=O)Nc2ccc(C(N)=O)cc2)C[C@H]1N1CCOCC1 ZINC000177233456 437176924 /nfs/dbraw/zinc/17/69/24/437176924.db2.gz YGCMODYVGISLPN-IUODEOHRSA-N 0 0 332.404 0.970 10 0 ECAERN Cc1cc(O)cc(=O)n1CC(=O)N1CCC[C@H](Cn2cncn2)C1 ZINC000177530133 437187164 /nfs/dbraw/zinc/18/71/64/437187164.db2.gz FDXJORXETMJUER-ZDUSSCGKSA-N 0 0 331.376 0.393 10 0 ECAERN CN(C)c1ccccc1NC(=O)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000177625923 437191705 /nfs/dbraw/zinc/19/17/05/437191705.db2.gz BHTHSHJDHQOXMA-LLVKDONJSA-N 0 0 328.376 0.414 10 0 ECAERN O=C(Nc1cc(F)c(F)c(F)c1)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000177626463 437191969 /nfs/dbraw/zinc/19/19/69/437191969.db2.gz WEKGGFWAUGSVLV-SSDOTTSWSA-N 0 0 339.277 0.765 10 0 ECAERN CNC(=O)[C@@H]1CCCN1C(=O)Nc1cc(-n2cnnn2)ccc1C ZINC000177006257 437166705 /nfs/dbraw/zinc/16/67/05/437166705.db2.gz NRTGVVQPQDPSBB-ZDUSSCGKSA-N 0 0 329.364 0.713 10 0 ECAERN CNC(=O)[C@H](NC(=O)CCc1c(C)nc2nc(N)nn2c1C)C(C)C ZINC000178843579 437234199 /nfs/dbraw/zinc/23/41/99/437234199.db2.gz UUJOIVDVZCHZPX-CYBMUJFWSA-N 0 0 347.423 0.143 10 0 ECAERN Nc1ccc(N[C@H]2CCCN(C(=O)CN3CC(=O)NC3=O)CC2)cn1 ZINC000328641680 437243380 /nfs/dbraw/zinc/24/33/80/437243380.db2.gz QSALBMWVQSPRGZ-NSHDSACASA-N 0 0 346.391 0.849 10 0 ECAERN CN(C)C(=O)CCNC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 ZINC000178975450 437246891 /nfs/dbraw/zinc/24/68/91/437246891.db2.gz HOLDLXJRSQIQOK-CZUORRHYSA-N 0 0 335.379 0.940 10 0 ECAERN O=C(CN1C[C@@H](O)C[C@@H]1CO)Nc1ccc(OC(F)(F)F)cc1 ZINC000179169316 437253005 /nfs/dbraw/zinc/25/30/05/437253005.db2.gz ORMGEYOFMJEYRL-MNOVXSKESA-N 0 0 334.294 0.951 10 0 ECAERN Cc1c(C(=O)N2CCOC[C@@H]2C(N)=O)nnn1-c1ccc(C)cc1 ZINC000180272595 437285365 /nfs/dbraw/zinc/28/53/65/437285365.db2.gz SBBNUJPETVVIQZ-CYBMUJFWSA-N 0 0 329.360 0.210 10 0 ECAERN COCCCOCC(=O)N1CCO[C@@H](Cn2nc(C)cc2C)C1 ZINC000180626902 437297377 /nfs/dbraw/zinc/29/73/77/437297377.db2.gz CHDNIENULSTOAR-OAHLLOKOSA-N 0 0 325.409 0.780 10 0 ECAERN CCNC(=O)C(C)(C)CNC(=O)N1CCN(C[C@H](O)CC)CC1 ZINC000182024257 437335777 /nfs/dbraw/zinc/33/57/77/437335777.db2.gz XXADOOAGWKIXDM-CYBMUJFWSA-N 0 0 328.457 0.247 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)NCCN2CCOC(C)(C)C2)CC1 ZINC000185017055 437421820 /nfs/dbraw/zinc/42/18/20/437421820.db2.gz BWKBIVANKCNZIG-OAHLLOKOSA-N 0 0 342.484 0.195 10 0 ECAERN Cc1noc([C@H]2COCCN2Cc2nnnn2-c2ccccc2)n1 ZINC000185076302 437424093 /nfs/dbraw/zinc/42/40/93/437424093.db2.gz BPNQEPFRPYKMBO-CYBMUJFWSA-N 0 0 327.348 0.927 10 0 ECAERN O=C(CN1C[C@H](O)C[C@@H]1CO)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000185153574 437428331 /nfs/dbraw/zinc/42/83/31/437428331.db2.gz QHVUQCKLVZJCKG-BZUAXINKSA-N 0 0 338.379 0.153 10 0 ECAERN O=C(CN1C[C@@H](O)C[C@@H]1CO)Nc1ccnn1Cc1cccs1 ZINC000185169705 437428957 /nfs/dbraw/zinc/42/89/57/437428957.db2.gz JLLBPVYAHOCKKZ-NEPJUHHUSA-N 0 0 336.417 0.359 10 0 ECAERN Cc1cc(=O)n(C)cc1NC(=O)C(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000183135843 437377415 /nfs/dbraw/zinc/37/74/15/437377415.db2.gz RYQHVBNCYBYVGQ-SCLBCKFNSA-N 0 0 347.415 0.786 10 0 ECAERN CC[C@H]1CN(C(=O)Cc2nnc(NC)s2)CC[N@@H+]1CCOC ZINC000183675919 437389120 /nfs/dbraw/zinc/38/91/20/437389120.db2.gz HMRFBVYXDSTAEB-NSHDSACASA-N 0 0 327.454 0.692 10 0 ECAERN CC(C)C(=O)NC[C@H]1CCCN(C(=O)NCC(=O)NCC2CC2)C1 ZINC000183784069 437389872 /nfs/dbraw/zinc/38/98/72/437389872.db2.gz QESGQOBSTWANHE-CQSZACIVSA-N 0 0 338.452 0.706 10 0 ECAERN Cc1noc([C@@H]2COCCN2C(=O)C(=O)NCc2ccc(F)cc2)n1 ZINC000183763279 437390301 /nfs/dbraw/zinc/39/03/01/437390301.db2.gz ZFRVQJQEBTZJBM-ZDUSSCGKSA-N 0 0 348.334 0.733 10 0 ECAERN CCc1nc2n(n1)C[C@H](NS(=O)(=O)N(CC)CC1CC1)CC2 ZINC000183899243 437393673 /nfs/dbraw/zinc/39/36/73/437393673.db2.gz QGYMBRCCBNKSRR-GFCCVEGCSA-N 0 0 327.454 0.722 10 0 ECAERN COCC(=O)NC1CN(C(=O)NC[C@H](C)c2nc(C)cs2)C1 ZINC000185801991 437451953 /nfs/dbraw/zinc/45/19/53/437451953.db2.gz HJPMWJKISMYQOH-VIFPVBQESA-N 0 0 326.422 0.711 10 0 ECAERN CC(C)n1cnc(S(=O)(=O)N2CC(NC(=O)C3CCC3)C2)c1 ZINC000186172888 437462209 /nfs/dbraw/zinc/46/22/09/437462209.db2.gz DLRQKVKRXVHOAP-UHFFFAOYSA-N 0 0 326.422 0.753 10 0 ECAERN COCC(=O)NC1CN(C(=O)c2ccc(N3CCC(C)=N3)cc2)C1 ZINC000186316859 437469263 /nfs/dbraw/zinc/46/92/63/437469263.db2.gz NUZZWNUGOLIMMR-UHFFFAOYSA-N 0 0 330.388 0.860 10 0 ECAERN CNc1cc(N2CCC[C@@H]2CNC(=O)NCC2(CCO)CC2)ncn1 ZINC000187347897 437503086 /nfs/dbraw/zinc/50/30/86/437503086.db2.gz YRXIOOHFWHOKJX-CYBMUJFWSA-N 0 0 348.451 0.949 10 0 ECAERN C[C@H]1C(=O)NCCCN1C(=O)c1ccc(-n2cnnn2)cc1Cl ZINC000188085824 437524901 /nfs/dbraw/zinc/52/49/01/437524901.db2.gz ZSPJEVQJOJBRGF-VIFPVBQESA-N 0 0 334.767 0.666 10 0 ECAERN COCC(=O)NC1CN(C(=O)NCCN2c3ccccc3C[C@H]2C)C1 ZINC000188544018 437554419 /nfs/dbraw/zinc/55/44/19/437554419.db2.gz PMSDPKCFKCNOFQ-CYBMUJFWSA-N 0 0 346.431 0.594 10 0 ECAERN CO[C@H](C)[C@H](C)NC(=O)N[C@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000188808782 437573792 /nfs/dbraw/zinc/57/37/92/437573792.db2.gz AMAKOAZHNJTREL-XQQFMLRXSA-N 0 0 337.424 0.947 10 0 ECAERN O=C(CSc1nnc2ccccn21)N1CC(NC(=O)C2CCC2)C1 ZINC000189223047 437588192 /nfs/dbraw/zinc/58/81/92/437588192.db2.gz KOHVKBOTNQARBQ-UHFFFAOYSA-N 0 0 345.428 0.949 10 0 ECAERN Cn1ccc2cccc(NC(=O)C(=O)NC[C@H]3CN(C)CCO3)c21 ZINC000190522955 437627920 /nfs/dbraw/zinc/62/79/20/437627920.db2.gz IYKYPEODKJRONO-ZDUSSCGKSA-N 0 0 330.388 0.564 10 0 ECAERN CC(=O)NC1CN(C(=O)[C@@H](C(C)C)n2nnc(-c3ccccc3)n2)C1 ZINC000190519627 437628662 /nfs/dbraw/zinc/62/86/62/437628662.db2.gz ASTRQSQMLDZCQY-OAHLLOKOSA-N 0 0 342.403 0.884 10 0 ECAERN CCn1cc([C@H]2CN([C@@H]3CCN(c4cnn(C)c4)C3=O)CCO2)cn1 ZINC000190781164 437638750 /nfs/dbraw/zinc/63/87/50/437638750.db2.gz PGUTWMMQRNQURC-HZPDHXFCSA-N 0 0 344.419 0.815 10 0 ECAERN CCn1cc([C@H]2CN(CC(=O)NC(=O)NC(C)(C)C)CCO2)cn1 ZINC000190786579 437640120 /nfs/dbraw/zinc/64/01/20/437640120.db2.gz CKEGKZLRXKKRGG-CYBMUJFWSA-N 0 0 337.424 0.901 10 0 ECAERN C[C@H](C(=O)NC[C@@H](O)CN1CCOCC1)n1cnc2ccccc21 ZINC000193130903 437704458 /nfs/dbraw/zinc/70/44/58/437704458.db2.gz SVEUHVUMBIGVDS-ZIAGYGMSSA-N 0 0 332.404 0.407 10 0 ECAERN CCCCOC[C@@H](O)CN1CCN(CC(=O)N2CCCC2)CC1 ZINC000193364143 437709695 /nfs/dbraw/zinc/70/96/95/437709695.db2.gz OFWAXPXGBFTQRV-INIZCTEOSA-N 0 0 327.469 0.404 10 0 ECAERN CCOC(=O)[C@H]1CCCN1S(=O)(=O)N1CCN2CCCC[C@H]2C1 ZINC000365104847 437860944 /nfs/dbraw/zinc/86/09/44/437860944.db2.gz KZXJITCGBODAMD-UONOGXRCSA-N 0 0 345.465 0.429 10 0 ECAERN CCN1C(=O)CC[C@H](C(=O)N2CCO[C@H](C)C2)[C@@H]1c1cnn(C)c1 ZINC000357850003 438082388 /nfs/dbraw/zinc/08/23/88/438082388.db2.gz CCMQPGZQHNEPCK-INWMFGNUSA-N 0 0 334.420 0.967 10 0 ECAERN COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000389233719 438427974 /nfs/dbraw/zinc/42/79/74/438427974.db2.gz YDBNORKUERYECY-KKZNHRDASA-N 0 0 345.339 0.657 10 0 ECAERN CCNC(=O)N1CCN(S(=O)(=O)[C@@H]2CCC[C@@H]2C(=O)OC)CC1 ZINC000391194523 438438236 /nfs/dbraw/zinc/43/82/36/438438236.db2.gz OBGJXNZFCPBWEW-NWDGAFQWSA-N 0 0 347.437 0.005 10 0 ECAERN C[C@@H](Oc1cccnc1)C(=O)N[C@H]1CCCN(c2ncc[nH]c2=O)C1 ZINC000352562288 438443503 /nfs/dbraw/zinc/44/35/03/438443503.db2.gz JBXZMICDDKKATB-OLZOCXBDSA-N 0 0 343.387 0.717 10 0 ECAERN O=c1[nH]ccnc1N1CCC[C@H](NS(=O)(=O)c2cccnc2)C1 ZINC000369649304 438499506 /nfs/dbraw/zinc/49/95/06/438499506.db2.gz SBCVYBUWSJMKIP-NSHDSACASA-N 0 0 335.389 0.112 10 0 ECAERN CN1C[C@@H](CNc2ncc(I)cn2)CC1=O ZINC000596491617 438967751 /nfs/dbraw/zinc/96/77/51/438967751.db2.gz RXPDAIASZVASEW-SSDOTTSWSA-N 0 0 332.145 0.971 10 0 ECAERN NC(=O)[C@@H]1COCCN1C(=O)c1cc(O)cc(Br)c1 ZINC000528944932 439377750 /nfs/dbraw/zinc/37/77/50/439377750.db2.gz HWUTZJRJVIRADG-JTQLQIEISA-N 0 0 329.150 0.481 10 0 ECAERN O=C(CN1CCC[C@](O)(c2cn[nH]n2)C1)N1CCc2ccccc2C1 ZINC000583617933 439488628 /nfs/dbraw/zinc/48/86/28/439488628.db2.gz KWQGTTQKEIQMEP-GOSISDBHSA-N 0 0 341.415 0.673 10 0 ECAERN CCc1[nH]c(=O)c(C(=O)NCCO)cc1I ZINC000584631911 439604957 /nfs/dbraw/zinc/60/49/57/439604957.db2.gz FARHYKAEIBBEIW-UHFFFAOYSA-N 0 0 336.129 0.676 10 0 ECAERN COc1ccc(-c2cnc(N)c(C(=O)NCCNC(C)=O)n2)cc1 ZINC000584661792 439606222 /nfs/dbraw/zinc/60/62/22/439606222.db2.gz LCGPGTLBRNJEDA-UHFFFAOYSA-N 0 0 329.360 0.600 10 0 ECAERN CCOC(=O)c1cccc([C@@H]2COCCN(S(N)(=O)=O)C2)c1 ZINC000616592011 439820567 /nfs/dbraw/zinc/82/05/67/439820567.db2.gz BJZNBNBMWZQZMQ-ZDUSSCGKSA-N 0 0 328.390 0.483 10 0 ECAERN COC[C@H]1CN(C(=O)NCc2nc(N(C)C)n[nH]2)CC(C)(C)O1 ZINC000637786775 440335845 /nfs/dbraw/zinc/33/58/45/440335845.db2.gz ASEGSDVUVBBDRR-SNVBAGLBSA-N 0 0 326.401 0.206 10 0 ECAERN Cn1cc(O[C@@H]2CN(C(=O)COCc3ccccc3)C[C@H]2O)cn1 ZINC000628256996 440442146 /nfs/dbraw/zinc/44/21/46/440442146.db2.gz VOTPIGIONUENHH-HZPDHXFCSA-N 0 0 331.372 0.587 10 0 ECAERN O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCN(c3ccccc3)C(=O)C2)C[NH2+]1 ZINC000630706629 440945274 /nfs/dbraw/zinc/94/52/74/440945274.db2.gz ODVPLHPJTMOMGY-JSGCOSHPSA-N 0 0 331.372 0.315 10 0 ECAERN CN(C(=O)NCCCn1ccnn1)[C@H]1CCCN(c2cccnn2)C1 ZINC000182494846 320530083 /nfs/dbraw/zinc/53/00/83/320530083.db2.gz FCMZIZMBCBBLAO-AWEZNQCLSA-N 0 0 344.423 0.769 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)NCCc2c(C)nn(C)c2C)CC1 ZINC000184872324 320535077 /nfs/dbraw/zinc/53/50/77/320535077.db2.gz FVRFXRWIWYUIPW-OAHLLOKOSA-N 0 0 337.468 0.678 10 0 ECAERN Cc1cc(C)n(C[C@H]2CN(S(=O)(=O)N3CCC[C@@H]3C)CCO2)n1 ZINC000184981152 320535294 /nfs/dbraw/zinc/53/52/94/320535294.db2.gz QHBXHSGFGPXWBI-DZGCQCFKSA-N 0 0 342.465 0.930 10 0 ECAERN C[C@H](CC(=O)N1CC(NC(=O)C2CC2)C1)NC(=O)c1ccccc1 ZINC000189379588 320539322 /nfs/dbraw/zinc/53/93/22/320539322.db2.gz QGEBHIBWKHTMHD-GFCCVEGCSA-N 0 0 329.400 0.932 10 0 ECAERN C[C@@H]1NC(=O)CC[C@H]1NC(=O)CCn1c2ccccc2n(C)c1=O ZINC000281684542 320597671 /nfs/dbraw/zinc/59/76/71/320597671.db2.gz DKEXALBZNAUYAF-NWDGAFQWSA-N 0 0 330.388 0.513 10 0 ECAERN CN(C)c1noc(CCC(=O)N2CCN[C@H](c3cccnc3)C2)n1 ZINC000328646691 320725013 /nfs/dbraw/zinc/72/50/13/320725013.db2.gz HAXKXJSYTXWKCT-ZDUSSCGKSA-N 0 0 330.392 0.636 10 0 ECAERN Cc1noc([C@H]2CCN(C(=O)[C@H]3CC(=O)N(c4cn[nH]c4)C3)C2)n1 ZINC000329064325 320751035 /nfs/dbraw/zinc/75/10/35/320751035.db2.gz OMQBHLBZHKDABL-QWRGUYRKSA-N 0 0 330.348 0.470 10 0 ECAERN O=S(=O)(NC[C@]1(O)CCOC1)c1cnc2ccc(F)cc2c1 ZINC000329291876 320764431 /nfs/dbraw/zinc/76/44/31/320764431.db2.gz RAXNJIMRKRTQMZ-CQSZACIVSA-N 0 0 326.349 0.804 10 0 ECAERN O=C(c1cnn2ccncc12)N1CCC[C@H]1C(=O)N1CCSCC1 ZINC000329460815 320773692 /nfs/dbraw/zinc/77/36/92/320773692.db2.gz SIZUCJAOXFPYAQ-ZDUSSCGKSA-N 0 0 345.428 0.909 10 0 ECAERN Cn1nccc1S(=O)(=O)N1CCC(c2ccnn2CCO)CC1 ZINC000329642154 320782727 /nfs/dbraw/zinc/78/27/27/320782727.db2.gz YEKHYWSDYXVJLG-UHFFFAOYSA-N 0 0 339.421 0.177 10 0 ECAERN O=C([C@H]1CC(=O)N(c2cn[nH]c2)C1)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000329834792 320790871 /nfs/dbraw/zinc/79/08/71/320790871.db2.gz HCLACKUFICIMAF-MEDUHNTESA-N 0 0 331.376 0.732 10 0 ECAERN CCc1noc([C@@H](C)N2CCN(C(=O)C3(O)CCOCC3)CC2)n1 ZINC000330008983 320800400 /nfs/dbraw/zinc/80/04/00/320800400.db2.gz HBVMXZVZEYLBEO-GFCCVEGCSA-N 0 0 338.408 0.379 10 0 ECAERN C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)N[C@H](C)COCc1ccccc1 ZINC000181134293 533831710 /nfs/dbraw/zinc/83/17/10/533831710.db2.gz WYWNZDBDKZLOIU-IOASZLSFSA-N 0 0 334.416 0.984 10 0 ECAERN COc1ccc(NC(=O)C(=O)N[C@H]2CCc3ncnn3C2)c(C)c1 ZINC000177624881 534054413 /nfs/dbraw/zinc/05/44/13/534054413.db2.gz GHLSNDAJLXFEGF-NSHDSACASA-N 0 0 329.360 0.665 10 0 ECAERN NC(=O)[C@H]1COCCN1C(=O)[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000180270053 534462800 /nfs/dbraw/zinc/46/28/00/534462800.db2.gz YIUMCFOAHNFKIO-MNOVXSKESA-N 0 0 333.171 0.740 10 0 ECAERN O=C(Nc1cnn(CC(F)F)c1)C(=O)N[C@H]1CCCC[C@@H]1CO ZINC000158285234 534465837 /nfs/dbraw/zinc/46/58/37/534465837.db2.gz FVFWDGFIWPXTBB-KOLCDFICSA-N 0 0 330.335 0.754 10 0 ECAERN O=C(c1ccc(-n2cnnn2)cc1)N1CCC[C@@H](Cn2cncn2)C1 ZINC000172398726 534689715 /nfs/dbraw/zinc/68/97/15/534689715.db2.gz HOTIZDUHCFVCCD-CYBMUJFWSA-N 0 0 338.375 0.806 10 0 ECAERN Cn1cc(N2CCN(c3cc(N4CCC[C@@H]4CO)ncn3)CC2)cn1 ZINC000173920033 534740684 /nfs/dbraw/zinc/74/06/84/534740684.db2.gz RALCDLBDRJECFT-CQSZACIVSA-N 0 0 343.435 0.498 10 0 ECAERN Cc1cnn(CCNC(=O)N[C@@H]2CCN(c3cc(C)nn3C)C2=O)c1 ZINC000173202502 534746160 /nfs/dbraw/zinc/74/61/60/534746160.db2.gz SMGHADUDAHQLRT-CYBMUJFWSA-N 0 0 345.407 0.338 10 0 ECAERN O=C(N[C@@H]1CCc2ncnn2C1)c1cn(Cc2cccc(F)c2)nn1 ZINC000129774161 534778820 /nfs/dbraw/zinc/77/88/20/534778820.db2.gz HMAKLARFGHXHEV-CYBMUJFWSA-N 0 0 341.350 0.802 10 0 ECAERN CC(=O)NC1CN(C(=O)C(=O)Nc2cccc3ccc(C)nc32)C1 ZINC000191347759 526705603 /nfs/dbraw/zinc/70/56/03/526705603.db2.gz FSKAXTFCOUURMN-UHFFFAOYSA-N 0 0 326.356 0.829 10 0 ECAERN CC(=O)NC1CN(C(=O)C(=O)Nc2ccc(-n3cccn3)cc2)C1 ZINC000191346828 526705698 /nfs/dbraw/zinc/70/56/98/526705698.db2.gz DWGAIRWOUIDGTO-UHFFFAOYSA-N 0 0 327.344 0.158 10 0 ECAERN CC(=O)NC1CN(C(=O)c2ccc(=O)n(-c3ccc(F)cc3)n2)C1 ZINC000191477957 526712966 /nfs/dbraw/zinc/71/29/66/526712966.db2.gz RXLANBBGHAOMAV-UHFFFAOYSA-N 0 0 330.319 0.332 10 0 ECAERN CC(=O)NCC(=O)NCC(=O)N[C@H](C)c1cccc(-n2ccnc2)c1 ZINC000173930620 526720393 /nfs/dbraw/zinc/72/03/93/526720393.db2.gz UXTCOYKFJSZIJH-GFCCVEGCSA-N 0 0 343.387 0.302 10 0 ECAERN CC(C)(C)C(=O)Cn1cc(C(=O)N[C@H]2CCc3ncnn3C2)nn1 ZINC000174815969 527566950 /nfs/dbraw/zinc/56/69/50/527566950.db2.gz UIAUOISFGNSHFK-JTQLQIEISA-N 0 0 331.380 0.230 10 0 ECAERN CCO[C@H]1C[C@H](NC(=O)Cc2nc3ncccn3n2)C12CCOCC2 ZINC000187122816 528135857 /nfs/dbraw/zinc/13/58/57/528135857.db2.gz WWMMLKULPXGULH-STQMWFEESA-N 0 0 345.403 0.757 10 0 ECAERN COCCN1CCN(CC(=O)NC(=O)NCc2ccccc2)C[C@H]1C ZINC000105831773 545740347 /nfs/dbraw/zinc/74/03/47/545740347.db2.gz QXOFSEVMQURBOX-OAHLLOKOSA-N 0 0 348.447 0.665 10 0 ECAERN CCn1nc(C)c(NC(=O)C(=O)N2CC[C@H](N3CCOCC3)C2)c1C ZINC000153304253 545823490 /nfs/dbraw/zinc/82/34/90/545823490.db2.gz STMRXTSQUXOOTM-AWEZNQCLSA-N 0 0 349.435 0.391 10 0 ECAERN CN1CCO[C@@H](CNC(=O)C(=O)Nc2ccnn2-c2ccccc2)C1 ZINC000179365923 545881655 /nfs/dbraw/zinc/88/16/55/545881655.db2.gz LTMPFCZNIVPFKT-AWEZNQCLSA-N 0 0 343.387 0.258 10 0 ECAERN Cn1cc(O[C@@H]2CN(c3ccnc(N4CCCCC4)n3)C[C@H]2O)cn1 ZINC000624422901 546923809 /nfs/dbraw/zinc/92/38/09/546923809.db2.gz KMDHVYXITUYSIO-HUUCEWRRSA-N 0 0 344.419 0.829 10 0 ECAERN Cc1ccc(-n2nnnc2N2CC[C@](O)(Cn3ccnn3)C2)cc1 ZINC000671467018 548153576 /nfs/dbraw/zinc/15/35/76/548153576.db2.gz SZVISBJHYKSMPM-OAHLLOKOSA-N 0 0 326.364 0.204 10 0 ECAERN O[C@@]1(Cn2ccnn2)CCN(Cc2nc(Cc3ccccc3)no2)C1 ZINC000671553039 548181348 /nfs/dbraw/zinc/18/13/48/548181348.db2.gz GYUQNHZERRZBBB-KRWDZBQOSA-N 0 0 340.387 0.889 10 0 ECAERN CC(C)COc1ncccc1C(=O)N1CC[C@](O)(Cn2ccnn2)C1 ZINC000671606681 548204054 /nfs/dbraw/zinc/20/40/54/548204054.db2.gz ORNSTGFJJRMKBJ-QGZVFWFLSA-N 0 0 345.403 0.985 10 0 ECAERN C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1[C@H]1C[NH2+]C[C@H](C(=O)[O-])C1 ZINC000675060250 564112300 /nfs/dbraw/zinc/11/23/00/564112300.db2.gz CMPIPHCAUVTXMR-JHJVBQTASA-N 0 0 327.425 0.990 10 0 ECAERN CO[C@@H]1C[C@H](c2ncc[nH]2)N(S(=O)(=O)c2cnn(C)c2C)C1 ZINC000888077651 586246026 /nfs/dbraw/zinc/24/60/26/586246026.db2.gz NOEFSCIYHSPFKK-GHMZBOCLSA-N 0 0 325.394 0.602 10 0 ECAERN Cc1cccn2cc(CC(=O)N[C@H]3COC[C@H]3Oc3cn[nH]c3)nc12 ZINC000888095111 586349627 /nfs/dbraw/zinc/34/96/27/586349627.db2.gz PXOQKJWBIQSGBB-LSDHHAIUSA-N 0 0 341.371 0.871 10 0 ECAERN O=C1C[C@@H](c2nc(C3CC3)no2)CN1C1CN(Cc2cn[nH]c2)C1 ZINC000888098169 586349821 /nfs/dbraw/zinc/34/98/21/586349821.db2.gz AVBRWXXSBJPLKT-GFCCVEGCSA-N 0 0 328.376 0.870 10 0 ECAERN O=C([C@@H]1CN(Cc2ccon2)C[C@H]1C(F)(F)F)N1CCNC(=O)C1 ZINC000888103169 586350793 /nfs/dbraw/zinc/35/07/93/586350793.db2.gz MEGRNRHGEZQNQU-GHMZBOCLSA-N 0 0 346.309 0.243 10 0 ECAERN C[C@H](NC(=O)[C@@H]1OCCN(C)C1=O)c1ccc(S(C)(=O)=O)cc1 ZINC000900034002 586519598 /nfs/dbraw/zinc/51/95/98/586519598.db2.gz OURATJKSJUVFQQ-GWCFXTLKSA-N 0 0 340.401 0.125 10 0 ECAERN CC1=C(C)C(=O)N(CCC(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)C1=O ZINC000900881864 586672448 /nfs/dbraw/zinc/67/24/48/586672448.db2.gz UZXKWVZJOFDDGD-DOMZBBRYSA-N 0 0 349.431 0.261 10 0 ECAERN Cc1cnn(CC2CCN(C(=O)CCCS(N)(=O)=O)CC2)c1 ZINC000906827280 586985687 /nfs/dbraw/zinc/98/56/87/586985687.db2.gz KZSUPLUYNHIUAB-UHFFFAOYSA-N 0 0 328.438 0.499 10 0 ECAERN CCc1nc[nH]c1C(=O)N1CCN(CCn2ccccc2=O)CC1 ZINC000907204823 587022365 /nfs/dbraw/zinc/02/23/65/587022365.db2.gz BNVHPAGZWOTYBA-UHFFFAOYSA-N 0 0 329.404 0.592 10 0 ECAERN CNC(=O)[C@@H]1Cn2c(C)nnc2CN1C(=O)c1ccoc1C1CC1 ZINC000818369957 587427597 /nfs/dbraw/zinc/42/75/97/587427597.db2.gz JFYQIXGAYMAAPX-LBPRGKRZSA-N 0 0 329.360 0.828 10 0 ECAERN O=C(C[C@@H]1CC(=O)NC1=O)N1CC[C@](O)(Cc2ccc(F)cc2)C1 ZINC000823113540 587702758 /nfs/dbraw/zinc/70/27/58/587702758.db2.gz AKQWVJPFUGFOAJ-SJCJKPOMSA-N 0 0 334.347 0.384 10 0 ECAERN CN(C[C@H](O)CN1CCOCC1)S(=O)(=O)/C=C/c1ccccc1 ZINC000125912196 590375145 /nfs/dbraw/zinc/37/51/45/590375145.db2.gz MSDMOHHJWSEKQU-MZTACXPWSA-N 0 0 340.445 0.612 10 0 ECAERN Cn1cnn(CN2CCN(Cc3cnn(C(C)(C)C)c3)CC2)c1=O ZINC000132757631 590660601 /nfs/dbraw/zinc/66/06/01/590660601.db2.gz UQVOMRUCPSFXAH-UHFFFAOYSA-N 0 0 333.440 0.309 10 0 ECAERN COc1cc(CN2CCN([C@]3(C(N)=O)CCOC3)CC2)ccc1C ZINC000886026689 590786679 /nfs/dbraw/zinc/78/66/79/590786679.db2.gz JRJOKTDBXMUMNF-GOSISDBHSA-N 0 0 333.432 0.766 10 0 ECAERN CCN1C(=O)C[C@@H](CNS(=O)(=O)CC2CC2)[C@@H]1c1nccn1C ZINC000886033219 590788071 /nfs/dbraw/zinc/78/80/71/590788071.db2.gz XSBYQOSSPUCZGK-GXTWGEPZSA-N 0 0 340.449 0.659 10 0 ECAERN CN1C(=O)C[C@@H](NC(=O)COc2cccnc2)[C@@H]1c1cccnc1 ZINC000886044660 590789176 /nfs/dbraw/zinc/78/91/76/590789176.db2.gz IZXZTADCYQSWOO-PBHICJAKSA-N 0 0 326.356 0.944 10 0 ECAERN CCN1CCO[C@@H](CNC(=O)c2cc(C)no2)[C@@H]1c1ccnn1C ZINC000886066149 590789825 /nfs/dbraw/zinc/78/98/25/590789825.db2.gz ZPNUINMFLHFTQD-GJZGRUSLSA-N 0 0 333.392 0.908 10 0 ECAERN CO[C@@H]1CN(C(=O)Cn2ncc3ccccc32)C[C@H]1c1cn(C)nn1 ZINC000886078349 590791625 /nfs/dbraw/zinc/79/16/25/590791625.db2.gz WDXIEHKUYDPWJU-XJKSGUPXSA-N 0 0 340.387 0.806 10 0 ECAERN CO[C@@H]1CN(C(=O)c2ccc3c(c2)ncn3C)C[C@H]1c1cn(C)nn1 ZINC000886077795 590791909 /nfs/dbraw/zinc/79/19/09/590791909.db2.gz GJGRXYHACFDEPF-BLLLJJGKSA-N 0 0 340.387 0.956 10 0 ECAERN CCOC1CC(O)(CNC(=O)CN2CCCC[C@@H](OC)C2=O)C1 ZINC000886088573 590793335 /nfs/dbraw/zinc/79/33/35/590793335.db2.gz JYQJCZGIUYNCTE-MFOWVQHXSA-N 0 0 328.409 0.060 10 0 ECAERN Cc1[nH]nc(C(=O)NC[C@@H]2OCCN(C)[C@H]2c2ccnn2C)c1C ZINC000886096761 590795374 /nfs/dbraw/zinc/79/53/74/590795374.db2.gz DFZASORCTIKPGL-ZFWWWQNUSA-N 0 0 332.408 0.562 10 0 ECAERN Cc1cc(C(=O)N[C@@H]2CCC(=O)N(C)[C@H]2c2nccn2C)cnn1 ZINC000886097296 590795620 /nfs/dbraw/zinc/79/56/20/590795620.db2.gz QFQYRBBVBSSBHY-TZMCWYRMSA-N 0 0 328.376 0.610 10 0 ECAERN O=C(N[C@@H]1C[C@@H](O)C12CCOCC2)c1cncc(N2CCCC2=O)c1 ZINC000886988167 590912861 /nfs/dbraw/zinc/91/28/61/590912861.db2.gz IDPJPYIMZNYYJZ-HUUCEWRRSA-N 0 0 345.399 0.868 10 0 ECAERN COC(=O)[C@@H]1C[C@H]1C(=O)NCC1CCN(C(=O)C(F)(F)F)CC1 ZINC000074064581 611486157 /nfs/dbraw/zinc/48/61/57/611486157.db2.gz MGERKERFMVBYGU-NXEZZACHSA-N 0 0 336.310 0.713 10 0 ECAERN C[C@@H]1[C@H](C)S(=O)(=O)CCN1CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000247231495 608638468 /nfs/dbraw/zinc/63/84/68/608638468.db2.gz XRKLJZMAVXEDKQ-VOAKCMCISA-N 0 0 326.418 0.403 10 0 ECAERN O=C(NCc1nc(-c2cnccn2)n[nH]1)c1cn(-c2ccccc2)nn1 ZINC000072141589 608701322 /nfs/dbraw/zinc/70/13/22/608701322.db2.gz DRVSEQXOHJZNCR-UHFFFAOYSA-N 0 0 347.342 0.772 10 0 ECAERN CN(C)C(=O)CNC(=O)[C@H]1CCC(=O)N1Cc1ccc2c(c1)OCO2 ZINC000223340295 608899642 /nfs/dbraw/zinc/89/96/42/608899642.db2.gz IAAFVAWKZSCXGV-GFCCVEGCSA-N 0 0 347.371 0.111 10 0 ECAERN O=C(N[C@@H]1C[C@H](O)[C@@H]1n1cccn1)[C@H]1CCCN(C(=O)C2CC2)C1 ZINC000909159309 609679352 /nfs/dbraw/zinc/67/93/52/609679352.db2.gz LMARSUSGIVHYLL-LJISPDSOSA-N 0 0 332.404 0.322 10 0 ECAERN CN1CCN(C(=O)[C@H]2CCC(=O)N2Cc2ccc3c(c2)OCO3)CC1 ZINC000223357986 609710181 /nfs/dbraw/zinc/71/01/81/609710181.db2.gz KXMOWFJSQCMSGA-CQSZACIVSA-N 0 0 345.399 0.680 10 0 ECAERN CCN1C(=O)[C@H]2CC3(CN2C1=O)CCN(C(=O)c1nccn1C)CC3 ZINC000169787242 609746202 /nfs/dbraw/zinc/74/62/02/609746202.db2.gz BFLQUHKJAZLFIA-GFCCVEGCSA-N 0 0 345.403 0.699 10 0 ECAERN CC(=O)N1CCC(C(=O)N(C)[C@H]2CCc3nn(C)c(=O)n3CC2)CC1 ZINC000169783263 609746820 /nfs/dbraw/zinc/74/68/20/609746820.db2.gz IHHJFFCWDXEVPX-AWEZNQCLSA-N 0 0 349.435 0.004 10 0 ECAERN C[C@H]1CN(C(=O)CN2CCCN(Cc3cnn(C)c3)CC2)CCO1 ZINC000171595590 609762441 /nfs/dbraw/zinc/76/24/41/609762441.db2.gz BAKTXBBWUMTJND-HNNXBMFYSA-N 0 0 335.452 0.175 10 0 ECAERN CCNS(=O)(=O)N1CCN(Cc2c(CC)nn(C)c2Cl)CC1 ZINC000172459083 609772732 /nfs/dbraw/zinc/77/27/32/609772732.db2.gz QKHHEFNGPRUCND-UHFFFAOYSA-N 0 0 349.888 0.608 10 0 ECAERN O=C1CN(c2ccccc2)C(=O)N1CN1CC[C@@H](N2CCOCC2)C1 ZINC000172959912 609777330 /nfs/dbraw/zinc/77/73/30/609777330.db2.gz RQCGVMLAMYJDMM-MRXNPFEDSA-N 0 0 344.415 0.819 10 0 ECAERN COC1(OC)CC(NC(=O)[C@@H]2COCCN2C(=O)OC(C)(C)C)C1 ZINC000911035030 609797184 /nfs/dbraw/zinc/79/71/84/609797184.db2.gz QHTOVOUCAQOENN-LBPRGKRZSA-N 0 0 344.408 0.890 10 0 ECAERN C[C@H](C(=O)N1CCOC[C@@H]1CO)S(=O)(=O)c1ccc(F)cc1 ZINC000912420385 609957286 /nfs/dbraw/zinc/95/72/86/609957286.db2.gz BGLAZHUAXZTWDF-PWSUYJOCSA-N 0 0 331.365 0.208 10 0 ECAERN O=C(CCC(=O)N1CCOC[C@H]1CO)N1CCC(c2ccccc2)=N1 ZINC000912426349 609957931 /nfs/dbraw/zinc/95/79/31/609957931.db2.gz CHIMFWDOORNWLO-OAHLLOKOSA-N 0 0 345.399 0.623 10 0 ECAERN Cc1nn(C)c(C)c1[C@@H]1OCC[C@H]1NC(=O)COCc1ccnn1C ZINC000913086334 610036974 /nfs/dbraw/zinc/03/69/74/610036974.db2.gz NLSSACANECTHNU-RHSMWYFYSA-N 0 0 347.419 0.933 10 0 ECAERN O=C(NCCNC(=O)N1CCC[C@@H](n2cncn2)C1)c1cccnc1 ZINC000173836366 231048073 /nfs/dbraw/zinc/04/80/73/231048073.db2.gz MAKMAQLNUHBSTA-CQSZACIVSA-N 0 0 343.391 0.450 10 0 ECAERN CN1CCO[C@H](CNC(=O)c2ccc(=O)n(-c3ccccc3)n2)C1 ZINC000171288332 529789756 /nfs/dbraw/zinc/78/97/56/529789756.db2.gz MKNBHQOHGGAPNL-CQSZACIVSA-N 0 0 328.372 0.293 10 0 ECAERN CNC(=C[N+](=O)[O-])NCC[S@@](=O)Cc1csc(CN(C)C)n1 ZINC000101696937 219157432 /nfs/dbraw/zinc/15/74/32/219157432.db2.gz TZKMWRJRDCJAFI-PQCZLFTGSA-N 0 0 347.466 0.338 10 0 in-vitro ECAERN NC(=O)c1cnc2n1CCN(C(=O)c1cc(-c3ccncc3)n[nH]1)C2 ZINC000067805001 215216246 /nfs/dbraw/zinc/21/62/46/215216246.db2.gz BWKKPOMIMHBJCE-UHFFFAOYSA-N 0 0 337.343 0.423 10 0 ECAERN NC(=O)[C@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Br)cc1 ZINC000103462004 219303322 /nfs/dbraw/zinc/30/33/22/219303322.db2.gz YJGKCFSTDWFTKV-PSASIEDQSA-N 0 0 349.206 0.058 10 0 ECAERN NC(=O)[C@@H]1COCCN1CC(=O)Nc1nc(-c2ccco2)cs1 ZINC000179730067 233376159 /nfs/dbraw/zinc/37/61/59/233376159.db2.gz DOHQCBKYQRFQKP-JTQLQIEISA-N 0 0 336.373 0.528 10 0 ECAERN Cc1cn2c(ncc(C(=O)N[C@H]3CCc4ncnn4C3)c2=O)s1 ZINC000179934113 233571473 /nfs/dbraw/zinc/57/14/73/233571473.db2.gz WLGBJBGOYCBOBU-VIFPVBQESA-N 0 0 330.373 0.401 10 0 ECAERN Cc1c(C(=O)Nc2ccccc2)c(N)nc2c1c(=O)n(C)c(=O)n2C ZINC000040570393 213352562 /nfs/dbraw/zinc/35/25/62/213352562.db2.gz UCFUDCJWFNKEFD-UHFFFAOYSA-N 0 0 339.355 0.775 10 0 ECAERN Cc1cc(=O)n(C)cc1NC(=O)C(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000183135802 234915705 /nfs/dbraw/zinc/91/57/05/234915705.db2.gz RYQHVBNCYBYVGQ-FZKQIMNGSA-N 0 0 347.415 0.786 10 0 ECAERN Cc1cc(C)n(C[C@H]2CN(C(=O)NCC(=O)NCC3CC3)CCO2)n1 ZINC000183797730 235229173 /nfs/dbraw/zinc/22/91/73/235229173.db2.gz RUFUTSUGPARTPW-OAHLLOKOSA-N 0 0 349.435 0.437 10 0 ECAERN O=C(Nc1nc2ccccn2n1)N1CCO[C@H](Cn2cccn2)C1 ZINC000184356182 235376495 /nfs/dbraw/zinc/37/64/95/235376495.db2.gz IOPODFCWDKYDSU-LBPRGKRZSA-N 0 0 327.348 0.859 10 0 ECAERN NC(=O)CN1CCC(C(=O)N[C@@H](c2ccccn2)C(F)(F)F)CC1 ZINC000091914938 283288083 /nfs/dbraw/zinc/28/80/83/283288083.db2.gz YKNILQZASNGQAI-ZDUSSCGKSA-N 0 0 344.337 0.999 10 0 ECAERN O=C(NC1CN(C(=O)NCCn2c(=O)oc3ccccc32)C1)C1CC1 ZINC000187042004 236102930 /nfs/dbraw/zinc/10/29/30/236102930.db2.gz YZFVOXIKDYZDKQ-UHFFFAOYSA-N 0 0 344.371 0.515 10 0 ECAERN Cc1cc(N2CCC[C@@H](NC(=O)N(C)CC3(CO)CC3)C2=O)n(C)n1 ZINC000187230224 236152868 /nfs/dbraw/zinc/15/28/68/236152868.db2.gz IVNXXKQQDUWIFX-CYBMUJFWSA-N 0 0 349.435 0.638 10 0 ECAERN CCS(=O)(=O)N1CC(CNC(=O)N[C@H](C)c2ccccn2)C1 ZINC000187275502 236165359 /nfs/dbraw/zinc/16/53/59/236165359.db2.gz JMJLWOTUZMLFOZ-LLVKDONJSA-N 0 0 326.422 0.723 10 0 ECAERN C[C@H](NS(C)(=O)=O)C(=O)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000187588927 236253397 /nfs/dbraw/zinc/25/33/97/236253397.db2.gz UXNLEEYBDFIDCN-DLOVCJGASA-N 0 0 332.447 0.220 10 0 ECAERN O=C(NC1CN(C(=O)C2CCN(c3cnccn3)CC2)C1)C1CCC1 ZINC000188493565 236572804 /nfs/dbraw/zinc/57/28/04/236572804.db2.gz CHKQYJGEXMSFCE-UHFFFAOYSA-N 0 0 343.431 0.820 10 0 ECAERN O=C(NC1CN(C(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)C1)C1CCC1 ZINC000188469326 236564438 /nfs/dbraw/zinc/56/44/38/236564438.db2.gz ZUHLRFNQEUPAOB-CYBMUJFWSA-N 0 0 345.399 0.755 10 0 ECAERN CC[C@@H](Oc1ccccc1)C(=O)Nc1c(N)n(C)c(=O)n(C)c1=O ZINC000034059258 212973981 /nfs/dbraw/zinc/97/39/81/212973981.db2.gz OMJVEAVYLNCOCJ-LLVKDONJSA-N 0 0 332.360 0.462 10 0 ECAERN Cn1c(/C=C/c2ccc3c(c2)OCO3)nc2c1c(=O)n(C)c(=O)n2C ZINC000033984733 212972781 /nfs/dbraw/zinc/97/27/81/212972781.db2.gz NUCVQYMURUVBNY-FNORWQNLSA-N 0 0 340.339 0.870 10 0 ECAERN Cc1n[nH]c(C)c1CC(=O)N1CCN(c2ccc3nncn3n2)CC1 ZINC000129360026 223047967 /nfs/dbraw/zinc/04/79/67/223047967.db2.gz LVJVWGDGSSFXPM-UHFFFAOYSA-N 0 0 340.391 0.356 10 0 ECAERN O=C(Nc1ccc(-n2ccnn2)cc1)C(=O)N[C@@H]1CCCC[C@@H]1CO ZINC000130644495 223166467 /nfs/dbraw/zinc/16/64/67/223166467.db2.gz GZGHNTDEVQGJMG-IUODEOHRSA-N 0 0 343.387 0.873 10 0 ECAERN CCn1cc([C@@H]2CN(C(=O)CS(=O)(=O)CC(C)C)CCO2)cn1 ZINC000191731321 239271090 /nfs/dbraw/zinc/27/10/90/239271090.db2.gz CLHJQDLYRMHFGC-AWEZNQCLSA-N 0 0 343.449 0.874 10 0 ECAERN CCn1cc([C@@H]2CN(C(=O)Cn3c(C)cc(O)cc3=O)CCO2)cn1 ZINC000191709468 239257900 /nfs/dbraw/zinc/25/79/00/239257900.db2.gz GYCPBZHJBINRJH-HNNXBMFYSA-N 0 0 346.387 0.679 10 0 ECAERN COCCCCS(=O)(=O)N1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000184638180 541323026 /nfs/dbraw/zinc/32/30/26/541323026.db2.gz IMDLWGRHPQUJHL-CQSZACIVSA-N 0 0 331.438 0.649 10 0 ECAERN O=C(Nc1ccc(Cl)cn1)C(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000193474741 240178576 /nfs/dbraw/zinc/17/85/76/240178576.db2.gz HVNAFMFDIHNWMC-LBPRGKRZSA-N 0 0 349.778 0.798 10 0 ECAERN CC[C@H]1CN(C(=O)C(=O)Nc2cc(C)cc(C)n2)CCN1C[C@@H](C)O ZINC000193471685 240178640 /nfs/dbraw/zinc/17/86/40/240178640.db2.gz BLRFBMSBRRJCGD-CABCVRRESA-N 0 0 348.447 0.941 10 0 ECAERN Cc1cc(C)n2nc(S(=O)(=O)Cc3nnc(C(C)C)n3C)nc2n1 ZINC000195088904 240826036 /nfs/dbraw/zinc/82/60/36/240826036.db2.gz RDHCNFMXMOSIDP-UHFFFAOYSA-N 0 0 349.420 0.967 10 0 ECAERN CC[C@H]1CCCCN1c1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@H](C)O ZINC000225391906 241839469 /nfs/dbraw/zinc/83/94/69/241839469.db2.gz XKVBRMANTDYYOB-QWRGUYRKSA-N 0 0 335.408 0.573 10 0 ECAERN O=C(NC[C@H](O)CN1CCOCC1)c1ccc(C(F)(F)F)nc1 ZINC000129010425 283987963 /nfs/dbraw/zinc/98/79/63/283987963.db2.gz FKZORLLQSNBZOE-NSHDSACASA-N 0 0 333.310 0.523 10 0 ECAERN Cc1ccc(C(=O)N2CCC(N3CCN(C)C(=O)C3=O)CC2)cc1 ZINC000021020319 212200743 /nfs/dbraw/zinc/20/07/43/212200743.db2.gz ZIRUJUYEMDASFY-UHFFFAOYSA-N 0 0 329.400 0.900 10 0 ECAERN CCCN(C)S(=O)(=O)N(C)[C@H]1CCCN(c2cccnn2)C1 ZINC000247136454 243377453 /nfs/dbraw/zinc/37/74/53/243377453.db2.gz RYOOWSGVSJEZNZ-ZDUSSCGKSA-N 0 0 327.454 0.964 10 0 ECAERN CC(=O)N1CCC2(CC1)OC(=O)C(C)=C2C(=O)NC[C@H]1CCCO1 ZINC000020531796 212144801 /nfs/dbraw/zinc/14/48/01/212144801.db2.gz FVCLTAZLIOROFZ-CYBMUJFWSA-N 0 0 336.388 0.536 10 0 ECAERN O=C(C[C@@H]1C(=O)NCCN1Cc1cccs1)NCc1ccon1 ZINC000020515619 212142898 /nfs/dbraw/zinc/14/28/98/212142898.db2.gz MKQYBTWHTRDLHH-CYBMUJFWSA-N 0 0 334.401 0.743 10 0 ECAERN O=C(CN1c2ccccc2SCCC1=O)NCCN1CCOCC1 ZINC000020379559 212125067 /nfs/dbraw/zinc/12/50/67/212125067.db2.gz ZXXZYURWDHPGPP-UHFFFAOYSA-N 0 0 349.456 0.964 10 0 ECAERN CCOC(=O)CNC(=O)[C@@H]1CC(=O)N(c2ccc(NC(C)=O)cc2)C1 ZINC000020370935 212123875 /nfs/dbraw/zinc/12/38/75/212123875.db2.gz BNUCUSVYXQQYQP-GFCCVEGCSA-N 0 0 347.371 0.677 10 0 ECAERN CCOC(=O)CNC(=O)[C@H]1CC(=O)N(c2ccc(NC(C)=O)cc2)C1 ZINC000020370933 212123780 /nfs/dbraw/zinc/12/37/80/212123780.db2.gz BNUCUSVYXQQYQP-LBPRGKRZSA-N 0 0 347.371 0.677 10 0 ECAERN CCN(C(=O)[C@H](CCS(C)(=O)=O)NC(C)=O)c1ccccc1 ZINC000002491320 284236775 /nfs/dbraw/zinc/23/67/75/284236775.db2.gz JKYFLGPTMOKKIU-AWEZNQCLSA-N 0 0 326.418 0.979 10 0 ECAERN COc1cc(C(=O)N2CCO[C@H](C[N@H+](C)CC(=O)[O-])C2)ccc1C ZINC000262907997 245245767 /nfs/dbraw/zinc/24/57/67/245245767.db2.gz JDRBEUJLGMPPDL-CQSZACIVSA-N 0 0 336.388 0.861 10 0 ECAERN C[C@H](CNC(=O)[C@H](C)n1nnc(-c2ccccc2)n1)N1CCOCC1 ZINC000079506535 217236710 /nfs/dbraw/zinc/23/67/10/217236710.db2.gz MKEWJRIYAMWXCQ-KGLIPLIRSA-N 0 0 344.419 0.738 10 0 ECAERN Cn1cnc(S(=O)(=O)N2CCO[C@H](Cn3cccn3)C2)c1Cl ZINC000111360579 220146244 /nfs/dbraw/zinc/14/62/44/220146244.db2.gz YLCQNJMQOUJBKR-SNVBAGLBSA-N 0 0 345.812 0.360 10 0 ECAERN Cc1cnn(C[C@@H]2CN(S(=O)(=O)c3cn(C)c(C)n3)CCO2)c1 ZINC000112094032 220240678 /nfs/dbraw/zinc/24/06/78/220240678.db2.gz RNGUAMDEZWZYNQ-CYBMUJFWSA-N 0 0 339.421 0.323 10 0 ECAERN NC(=O)[C@H]1COCCN1C(=O)CCCOc1ccc(F)cc1F ZINC000091783092 218066044 /nfs/dbraw/zinc/06/60/44/218066044.db2.gz GKIFRMJDEOZQIS-GFCCVEGCSA-N 0 0 328.315 0.837 10 0 ECAERN CC(C)(C)c1ccc(CCNC(=O)CN2CCOC[C@H]2C(N)=O)cc1 ZINC000092229400 218127767 /nfs/dbraw/zinc/12/77/67/218127767.db2.gz AYKMFLGAPUOXRF-INIZCTEOSA-N 0 0 347.459 0.829 10 0 ECAERN C[C@H](NC(=O)CN1CCOC[C@@H]1C(N)=O)c1ccccc1Cl ZINC000092421782 218140531 /nfs/dbraw/zinc/14/05/31/218140531.db2.gz NVXORYSGSHALRC-GXFFZTMASA-N 0 0 325.796 0.703 10 0 ECAERN NC(=O)c1ccc(-c2nc(CN3CCOC[C@H]3C(N)=O)cs2)cc1 ZINC000092421236 218140847 /nfs/dbraw/zinc/14/08/47/218140847.db2.gz XDPRRUIJIKPSCC-ZDUSSCGKSA-N 0 0 346.412 0.595 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)C(=O)Nc2cc(F)cc(F)c2)CC1 ZINC000189457569 207742501 /nfs/dbraw/zinc/74/25/01/207742501.db2.gz HVJQJNQNXHNFHB-CQSZACIVSA-N 0 0 341.358 0.818 10 0 ECAERN Cc1ccc2c(c1)C(=O)N(CC(=O)N[C@H]1CCc3ncnn3C1)C2=O ZINC000112650036 220364557 /nfs/dbraw/zinc/36/45/57/220364557.db2.gz MXQRBFIJZXMGSX-NSHDSACASA-N 0 0 339.355 0.314 10 0 ECAERN CC(=O)N[C@H](CC(=O)N[C@H]1CCc2ncnn2C1)c1ccccc1 ZINC000112653894 220365493 /nfs/dbraw/zinc/36/54/93/220365493.db2.gz FMEHMFIASVQSEK-LSDHHAIUSA-N 0 0 327.388 0.977 10 0 ECAERN CC[C@H](OC1CCCCC1)C(=O)NC[C@H](O)CN1CCOCC1 ZINC000132360247 545791135 /nfs/dbraw/zinc/79/11/35/545791135.db2.gz WWFPYTMHGSSJCY-HOCLYGCPSA-N 0 0 328.453 0.924 10 0 ECAERN CC[C@H]1CN(C(=O)CS(=O)(=O)C2CCCC2)CCN1CCOC ZINC000117302037 221049902 /nfs/dbraw/zinc/04/99/02/221049902.db2.gz UGYXHRRVFWEYRU-AWEZNQCLSA-N 0 0 346.493 0.913 10 0 ECAERN COCCN1CCN(C(=O)NCCCC(=O)NC2CC2)C[C@@H]1C ZINC000117480237 221070396 /nfs/dbraw/zinc/07/03/96/221070396.db2.gz RKOLPQFZOWSAIN-ZDUSSCGKSA-N 0 0 326.441 0.407 10 0 ECAERN CC[C@H](C)NC(=O)CCNC(=O)N1CCN(CCOC)[C@H](C)C1 ZINC000117482769 221070425 /nfs/dbraw/zinc/07/04/25/221070425.db2.gz FUBBXNSCPKGAOU-UONOGXRCSA-N 0 0 328.457 0.653 10 0 ECAERN COCCN1CCN(C(=O)N[C@@H](C)CN2CCOCC2)C[C@@H]1C ZINC000117478126 221068380 /nfs/dbraw/zinc/06/83/80/221068380.db2.gz BNYQJXAAQCEOLL-GJZGRUSLSA-N 0 0 328.457 0.069 10 0 ECAERN Cc1cnn(CCNC(=O)CN2C(=O)c3ccc(C)cc3C2=O)c1 ZINC000117811194 221092045 /nfs/dbraw/zinc/09/20/45/221092045.db2.gz LQVAMMFDEKDYBG-UHFFFAOYSA-N 0 0 326.356 0.912 10 0 ECAERN Cc1cnn(CCNC(=O)CCCC(=O)NCCn2cc(C)cn2)c1 ZINC000117811722 221092090 /nfs/dbraw/zinc/09/20/90/221092090.db2.gz JQTDBLLAGREHGF-UHFFFAOYSA-N 0 0 346.435 0.799 10 0 ECAERN O=C(CCNC(=O)c1ccco1)N[C@H]1CCCN(c2cccnn2)C1 ZINC000118673176 221167832 /nfs/dbraw/zinc/16/78/32/221167832.db2.gz JGYBRJBSEOEMRK-ZDUSSCGKSA-N 0 0 343.387 0.975 10 0 ECAERN CCS(=O)(=O)c1cccc(C(=O)NC[C@@H](C)N2CCOCC2)c1 ZINC000119092293 221242476 /nfs/dbraw/zinc/24/24/76/221242476.db2.gz SRMVQJPTJCLYAU-CYBMUJFWSA-N 0 0 340.445 0.931 10 0 ECAERN CCCCOC(=O)[C@H](C)N1CCN(c2ccc3nncn3n2)CC1 ZINC000119130021 221250213 /nfs/dbraw/zinc/25/02/13/221250213.db2.gz SMYOFYVUNNNBMH-ZDUSSCGKSA-N 0 0 332.408 0.978 10 0 ECAERN COc1ccc(CN2C(=O)CO[C@H]3CN(CC(=O)N(C)C)C[C@@H]32)cc1 ZINC000248050031 257666509 /nfs/dbraw/zinc/66/65/09/257666509.db2.gz XHZLIVNUTIGHSW-HOTGVXAUSA-N 0 0 347.415 0.195 10 0 ECAERN O=C(NCc1ccccn1)[C@@H]1CO[C@H]2CN(c3ncccn3)C[C@H]21 ZINC000247477614 257682918 /nfs/dbraw/zinc/68/29/18/257682918.db2.gz HSDPHJZHVSPOHO-ZNMIVQPWSA-N 0 0 325.372 0.639 10 0 ECAERN O=C(NC1CC1)[C@H](O)C1CCN(Cc2cnc3cnccn23)CC1 ZINC000299742230 258008860 /nfs/dbraw/zinc/00/88/60/258008860.db2.gz JAPAEAGJESYOSE-MRXNPFEDSA-N 0 0 329.404 0.581 10 0 ECAERN COc1cccc(C(=O)NCC(=O)N2CCC[C@@H](n3cncn3)C2)c1 ZINC000171627161 533406538 /nfs/dbraw/zinc/40/65/38/533406538.db2.gz SOCUZBZKEPRCNS-CQSZACIVSA-N 0 0 343.387 0.880 10 0 ECAERN O=C1CN(S(=O)(=O)NC2CCCC2)CN1CCC(F)(F)F ZINC000333073279 297106314 /nfs/dbraw/zinc/10/63/14/297106314.db2.gz KMHPYEUCFCPXEI-UHFFFAOYSA-N 0 0 329.344 0.818 10 0 ECAERN COc1ccc2[nH]c(C(=O)NC[C@@H](O)CN3CCOCC3)cc2c1 ZINC000189404628 286385014 /nfs/dbraw/zinc/38/50/14/286385014.db2.gz KOUGXTHNRDUCQW-CYBMUJFWSA-N 0 0 333.388 0.599 10 0 ECAERN NC(=O)[C@@H]1COCCN1C(=O)CCc1nc(-c2ccsc2)no1 ZINC000091780169 164643764 /nfs/dbraw/zinc/64/37/64/164643764.db2.gz DVZJNMAVPQGCJS-JTQLQIEISA-N 0 0 336.373 0.443 10 0 ECAERN C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)CN1CCOC[C@@H]1C(N)=O ZINC000092228588 164644364 /nfs/dbraw/zinc/64/43/64/164644364.db2.gz PMMDNLZRGNVZOH-QMTHXVAHSA-N 0 0 341.358 0.670 10 0 ECAERN NS(=O)(=O)c1cnc(N2CCN(CC3CCCC3)C(=O)C2)s1 ZINC000158328753 164791878 /nfs/dbraw/zinc/79/18/78/164791878.db2.gz SWSMAJZVKIPDAS-UHFFFAOYSA-N 0 0 344.462 0.629 10 0 ECAERN CCN(CC)C(=O)[C@H]1CCCN1C(=O)N[C@H]1CCc2nc(C)nn2C1 ZINC000174634130 164872784 /nfs/dbraw/zinc/87/27/84/164872784.db2.gz WZYWOHWZQWAFSL-UONOGXRCSA-N 0 0 348.451 0.944 10 0 ECAERN CC(C)(C)N1C[C@H](NC(=O)N2CC(NC(=O)C3CCC3)C2)CC1=O ZINC000188886945 165003468 /nfs/dbraw/zinc/00/34/68/165003468.db2.gz PWHMHOPWUFXHRC-GFCCVEGCSA-N 0 0 336.436 0.696 10 0 ECAERN O=C(NC1CN(C(=O)[C@@H]2CC[C@H](C(F)(F)F)NC2=O)C1)C1CC1 ZINC000189430966 165010425 /nfs/dbraw/zinc/01/04/25/165010425.db2.gz DXBPYWZCCABOHF-NXEZZACHSA-N 0 0 333.310 0.181 10 0 ECAERN CC(=O)NC1CN(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2=O)C1 ZINC000190293260 165019587 /nfs/dbraw/zinc/01/95/87/165019587.db2.gz YOJBJPSJLCTKLB-INIZCTEOSA-N 0 0 344.415 0.708 10 0 ECAERN C[C@@H]1C(=O)NCCCN1C(=O)NCC(=O)N1CCc2ccccc21 ZINC000191340371 165030404 /nfs/dbraw/zinc/03/04/04/165030404.db2.gz TYBKIOHAZNKVNN-GFCCVEGCSA-N 0 0 330.388 0.496 10 0 ECAERN CCc1nc(NC(=O)C(=O)N[C@@H]2CCc3ncnn3C2)sc1C ZINC000193104679 165053004 /nfs/dbraw/zinc/05/30/04/165053004.db2.gz XUVINBKWGSAAKV-SECBINFHSA-N 0 0 334.405 0.675 10 0 ECAERN CN1CCO[C@H](CNC(=O)c2ccc(CS(C)(=O)=O)cc2)C1 ZINC000194635563 165070081 /nfs/dbraw/zinc/07/00/81/165070081.db2.gz FEMNQXOSXRRDJZ-CQSZACIVSA-N 0 0 326.418 0.292 10 0 ECAERN CCC(C)(C)NC(=O)[C@H](C)S(=O)(=O)Cc1nnnn1C(C)C ZINC000195429314 165081756 /nfs/dbraw/zinc/08/17/56/165081756.db2.gz AIGZQNNPDDFWLY-JTQLQIEISA-N 0 0 331.442 0.862 10 0 ECAERN CCC[C@@H](C)NC(=O)[C@H](C)S(=O)(=O)Cc1nnnn1C(C)C ZINC000195429296 165081841 /nfs/dbraw/zinc/08/18/41/165081841.db2.gz AFNNPLKKTUWEDN-MNOVXSKESA-N 0 0 331.442 0.862 10 0 ECAERN C[C@@H]1CN(C(=O)NCC[S@](=O)C(C)(C)C)C[C@H]1N1CCOCC1 ZINC000246161930 165125367 /nfs/dbraw/zinc/12/53/67/165125367.db2.gz QSPJWTJYUWVEHJ-CSTKLKAISA-N 0 0 345.509 0.896 10 0 ECAERN CN1CCO[C@@H](CNC(=O)N2CCC[C@@H](C(=O)NCC3CC3)C2)C1 ZINC000246529918 165137141 /nfs/dbraw/zinc/13/71/41/165137141.db2.gz WMNAHJJSTQLCGX-CABCVRRESA-N 0 0 338.452 0.265 10 0 ECAERN COCCN1CCN(C(=O)NC[C@H](C)N2CCOCC2)C[C@H]1C ZINC000246980100 165148212 /nfs/dbraw/zinc/14/82/12/165148212.db2.gz FJVPQTMUIHEFOQ-LSDHHAIUSA-N 0 0 328.457 0.069 10 0 ECAERN CCNS(=O)(=O)NC[C@@H](c1cccs1)N1CCO[C@@H](C)C1 ZINC000248356513 165172303 /nfs/dbraw/zinc/17/23/03/165172303.db2.gz OKOXKRVSUGPIOE-RYUDHWBXSA-N 0 0 333.479 0.954 10 0 ECAERN C[C@H]1OCCN[C@@H]1C(=O)NCc1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000261885294 165258322 /nfs/dbraw/zinc/25/83/22/165258322.db2.gz FTDVQLICFDAECY-WQVCFCJDSA-N 0 0 347.415 0.797 10 0 ECAERN C[C@H]1OCCN[C@@H]1C(=O)N1CCCN(C(=O)c2ccccc2F)CC1 ZINC000261926953 165263949 /nfs/dbraw/zinc/26/39/49/165263949.db2.gz LFRHJNPJOLFSPS-CJNGLKHVSA-N 0 0 349.406 0.877 10 0 ECAERN C[C@H]1OCCN[C@@H]1C(=O)N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC000261942263 165267171 /nfs/dbraw/zinc/26/71/71/165267171.db2.gz MYBUQDAJMVIRPM-RDBSUJKOSA-N 0 0 325.453 0.764 10 0 ECAERN COC(=O)c1ncsc1S(=O)(=O)[N-]CC[C@H]1CCC[NH2+]C1 ZINC000262152850 165300460 /nfs/dbraw/zinc/30/04/60/165300460.db2.gz ZBWXNPGPLLCREF-SECBINFHSA-N 0 0 333.435 0.598 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NS(=O)(=O)N2CCCC[C@@H]2C)C1 ZINC000262494015 165356599 /nfs/dbraw/zinc/35/65/99/165356599.db2.gz YJFMKLGVUOECFZ-HIFPTAJRSA-N 0 0 333.454 0.633 10 0 ECAERN C[N@@H+](CC(=O)[O-])C[C@H]1CN(C(=O)[C@H]2CCOc3ccccc32)CCO1 ZINC000262865311 165397314 /nfs/dbraw/zinc/39/73/14/165397314.db2.gz CALYOISPTDETJS-ZFWWWQNUSA-N 0 0 348.399 0.797 10 0 ECAERN Cn1cc([C@@H]2CCCN2C(=O)C(=O)Nc2cccc(C(N)=O)c2)cn1 ZINC000171399572 227060463 /nfs/dbraw/zinc/06/04/63/227060463.db2.gz ZZVNGMZVMLLLTK-AWEZNQCLSA-N 0 0 341.371 0.821 10 0 ECAERN COCCCS(=O)(=O)NCC(=O)N1CCC[C@@H]1c1ccco1 ZINC000121445063 221844911 /nfs/dbraw/zinc/84/49/11/221844911.db2.gz IMZYINDRHZTMSL-GFCCVEGCSA-N 0 0 330.406 0.899 10 0 ECAERN O=C(NC[C@@H](O)CN1CCOCC1)c1c(Cl)nc2ccccn21 ZINC000122599404 222120912 /nfs/dbraw/zinc/12/09/12/222120912.db2.gz HSQIVGGPYQKUSY-LLVKDONJSA-N 0 0 338.795 0.411 10 0 ECAERN CCS(=O)(=O)c1cccc(CC(=O)NC[C@H]2CN(C)CCO2)c1 ZINC000123370202 222264739 /nfs/dbraw/zinc/26/47/39/222264739.db2.gz HOBUBOPDEYAOAI-AWEZNQCLSA-N 0 0 340.445 0.470 10 0 ECAERN CN(C1CCCCC1)S(=O)(=O)NC[C@H]1CN(C2CC2)CCO1 ZINC000123645605 222311467 /nfs/dbraw/zinc/31/14/67/222311467.db2.gz YNXQVPOJYUOMQN-HNNXBMFYSA-N 0 0 331.482 0.949 10 0 ECAERN COCCN1C[C@@H](C(=O)N2CCC(c3ccnn3C)CC2)CC1=O ZINC000124522581 222441605 /nfs/dbraw/zinc/44/16/05/222441605.db2.gz YJBBGKWPPCRAMD-AWEZNQCLSA-N 0 0 334.420 0.621 10 0 ECAERN Nc1nc(N)nc(CN2CCN(c3nc4ccccc4o3)CC2)n1 ZINC000171559645 227139411 /nfs/dbraw/zinc/13/94/11/227139411.db2.gz QAUGIHAAEDKIMN-UHFFFAOYSA-N 0 0 326.364 0.499 10 0 ECAERN O=C(CNC(=O)c1ccc(F)cc1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000171878557 227330310 /nfs/dbraw/zinc/33/03/10/227330310.db2.gz CGUJHUVXARFDJT-OAHLLOKOSA-N 0 0 346.362 0.680 10 0 ECAERN COc1ccccc1[C@H](O)CNC(=O)N[C@H]1CCc2ncnn2C1 ZINC000172602295 227792941 /nfs/dbraw/zinc/79/29/41/227792941.db2.gz JXGNTCBSCKVDIY-WCQYABFASA-N 0 0 331.376 0.634 10 0 ECAERN Cc1ccc([C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)c2cnn(C)c2)o1 ZINC000087104795 263143898 /nfs/dbraw/zinc/14/38/98/263143898.db2.gz SOCGIEPICPIHBD-MNOVXSKESA-N 0 0 340.405 0.866 10 0 ECAERN CNc1cc(N2CCC[C@H]2CNC(=O)c2nccnc2N)ncn1 ZINC000173418199 263148730 /nfs/dbraw/zinc/14/87/30/263148730.db2.gz KCRNHFCPKVCIPN-JTQLQIEISA-N 0 0 328.380 0.289 10 0 ECAERN C[C@@H](O)CN1CCN(C(=O)C(=O)Nc2ccccc2N(C)C)C[C@H]1C ZINC000177605089 263153761 /nfs/dbraw/zinc/15/37/61/263153761.db2.gz GVKBTQKIWDZQGB-ZIAGYGMSSA-N 0 0 348.447 0.605 10 0 ECAERN Cc1cnn(C[C@@H]2CN(C(=O)NCC(=O)NCC3CC3)CCO2)c1 ZINC000182036108 263157333 /nfs/dbraw/zinc/15/73/33/263157333.db2.gz AJPJVNSJWYTJCT-AWEZNQCLSA-N 0 0 335.408 0.128 10 0 ECAERN Cc1ccc([C@H](C)N[C@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)o1 ZINC000193642793 263167557 /nfs/dbraw/zinc/16/75/57/263167557.db2.gz OAYAJNUSXCHUMW-VHSXEESVSA-N 0 0 334.376 0.490 10 0 ECAERN Cc1ccc([C@H](C)N[C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)o1 ZINC000193642758 263167672 /nfs/dbraw/zinc/16/76/72/263167672.db2.gz OAYAJNUSXCHUMW-UWVGGRQHSA-N 0 0 334.376 0.490 10 0 ECAERN Cc1ccc([C@@H](C)N[C@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)o1 ZINC000193642779 263167841 /nfs/dbraw/zinc/16/78/41/263167841.db2.gz OAYAJNUSXCHUMW-NXEZZACHSA-N 0 0 334.376 0.490 10 0 ECAERN CSCC[C@H](NC(=O)[C@H]1CNC(=O)C1)c1nnc2ccccn21 ZINC000194781942 263169112 /nfs/dbraw/zinc/16/91/12/263169112.db2.gz SHBZWHQUNQDIQM-MNOVXSKESA-N 0 0 333.417 0.776 10 0 ECAERN O=C(NCCS(=O)(=O)c1ccc(Cl)cc1)[C@@H]1CNC(=O)C1 ZINC000194878114 263170056 /nfs/dbraw/zinc/17/00/56/263170056.db2.gz ZVENYQQCVPYERR-VIFPVBQESA-N 0 0 330.793 0.366 10 0 ECAERN C[C@@H]1CN(C(=O)CN2CCC[C@@H]([N@H+](C)CC(=O)[O-])CC2)C[C@H](C)O1 ZINC000262421392 263177059 /nfs/dbraw/zinc/17/70/59/263177059.db2.gz CROFCUSKMDCMTC-QLFBSQMISA-N 0 0 341.452 0.493 10 0 ECAERN Cc1cccn2c(=O)cc(CN3CC[C@](O)(c4cn[nH]n4)C3)nc12 ZINC000284785054 264237757 /nfs/dbraw/zinc/23/77/57/264237757.db2.gz KXWKHKBMWYFTSB-MRXNPFEDSA-N 0 0 326.360 0.215 10 0 ECAERN CCN1CCO[C@H](C(=O)NC[C@H]2CCCN2c2cc(NC)ncn2)C1 ZINC000245417236 276392653 /nfs/dbraw/zinc/39/26/53/276392653.db2.gz FVTUSFLHTIZHMD-KGLIPLIRSA-N 0 0 348.451 0.324 10 0 ECAERN C[C@]1(C(=O)N2CC(NC(=O)C3CC3)C2)Cc2ccccc2C(=O)O1 ZINC000189396698 437594870 /nfs/dbraw/zinc/59/48/70/437594870.db2.gz FCTMFHYWHUBYGC-GOSISDBHSA-N 0 0 328.368 0.895 10 0 ECAERN CC(C)Cn1c(N)c(C(=O)CN2[C@@H](C)COC[C@@H]2C)c(=O)[nH]c1=O ZINC000077370834 277515635 /nfs/dbraw/zinc/51/56/35/277515635.db2.gz HZXFVKDSAZAVJS-QWRGUYRKSA-N 0 0 338.408 0.067 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)C(=O)Nc2ncc(C)s2)CC1 ZINC000189456915 437601812 /nfs/dbraw/zinc/60/18/12/437601812.db2.gz VJSSDZBDRRQBMB-LLVKDONJSA-N 0 0 326.422 0.305 10 0 ECAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)c1cc2c(cn1)nc[nH]c2=O ZINC000188481706 293509904 /nfs/dbraw/zinc/50/99/04/293509904.db2.gz LBFXIBCJFOLMKZ-JTQLQIEISA-N 0 0 325.332 0.483 10 0 ECAERN NC(=O)[C@@H]1COCCN1C(=O)c1ccc(Br)c(F)c1 ZINC000091778987 295120378 /nfs/dbraw/zinc/12/03/78/295120378.db2.gz HZFHIWPJFVPITJ-JTQLQIEISA-N 0 0 331.141 0.915 10 0 ECAERN NC(=O)c1cnn2c1nccc2C(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000154579078 295194027 /nfs/dbraw/zinc/19/40/27/295194027.db2.gz GULKSSSMYIFWFD-AAEUAGOBSA-N 0 0 329.360 0.612 10 0 ECAERN NC(=O)c1cnn2c1nccc2C(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000154579187 295194271 /nfs/dbraw/zinc/19/42/71/295194271.db2.gz GULKSSSMYIFWFD-WCQYABFASA-N 0 0 329.360 0.612 10 0 ECAERN NCC(F)(F)CNC(=O)CC[S@](=O)c1ccc2c(c1)OCCO2 ZINC000190263437 295218682 /nfs/dbraw/zinc/21/86/82/295218682.db2.gz VHTQDCVEQRGVPW-QHCPKHFHSA-N 0 0 348.371 0.666 10 0 ECAERN CN1CCN(C(=O)Cn2cc(NC(=O)CC[C@H]3CCOC3)cn2)CC1 ZINC000333087443 297107949 /nfs/dbraw/zinc/10/79/49/297107949.db2.gz YTJGBLBMFZRKCL-AWEZNQCLSA-N 0 0 349.435 0.412 10 0 ECAERN Cc1nc2c(nccc2C(=O)N2CCO[C@@H](CN(C)CC(N)=O)C2)[nH]1 ZINC000333107014 297110422 /nfs/dbraw/zinc/11/04/22/297110422.db2.gz DTMKCWSVLCACMS-NSHDSACASA-N 0 0 346.391 0.574 10 0 ECAERN CO[C@H]1C[C@H](C(=O)N[C@@H](C)C(=O)N2CCCCC2)N(C(C)=O)C1 ZINC000333231380 297119698 /nfs/dbraw/zinc/11/96/98/297119698.db2.gz UPGPPYWRIDDQAA-FPMFFAJLSA-N 0 0 325.409 0.139 10 0 ECAERN CO[C@H]1C[C@H](C(=O)NCc2nc(C(F)(F)F)n[nH]2)N(C(C)=O)C1 ZINC000333250745 297120876 /nfs/dbraw/zinc/12/08/76/297120876.db2.gz YHHRDKKWXXBRPA-JGVFFNPUSA-N 0 0 335.286 0.076 10 0 ECAERN CC[N@@H+]1CC[C@H]2OCCN(S(=O)(=O)c3ccc(O)cc3)[C@H]2C1 ZINC000333399489 297130918 /nfs/dbraw/zinc/13/09/18/297130918.db2.gz FLLFFPOZYFHYRG-LSDHHAIUSA-N 0 0 326.418 0.876 10 0 ECAERN C[C@@H]1CN(C(=O)Cn2ncc(=O)c3ccccc32)CC[S@@](=O)C1 ZINC000333436622 297133972 /nfs/dbraw/zinc/13/39/72/297133972.db2.gz KZEGFJSNRAGKMN-SFDCACGMSA-N 0 0 333.413 0.624 10 0 ECAERN CO[C@@H]1C[C@@H](CO)N(C(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)C1 ZINC000345481518 298160967 /nfs/dbraw/zinc/16/09/67/298160967.db2.gz YVUFRZDEVGFTBJ-QLFBSQMISA-N 0 0 339.436 0.522 10 0 ECAERN CCN1C(=O)CC[C@H](C(=O)N2CCC[C@H](O)C2)[C@@H]1c1cnn(C)c1 ZINC000346603565 298303961 /nfs/dbraw/zinc/30/39/61/298303961.db2.gz IECSCPJHSUTCDI-DZKIICNBSA-N 0 0 334.420 0.703 10 0 ECAERN C[C@H]1OCC[C@]1(O)CNS(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C ZINC000365582397 300461960 /nfs/dbraw/zinc/46/19/60/300461960.db2.gz KMGIWALZLZIFOY-KNPMLCFXSA-N 0 0 345.461 0.841 10 0 ECAERN CC(=O)OC[C@@H]1OC=C(OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000000085805 435950736 /nfs/dbraw/zinc/95/07/36/435950736.db2.gz CSRHQVSHQIAMPP-UBHSHLNASA-N 0 0 330.289 0.216 10 0 ECAERN CC[C@]1(CO)CCCN(C(=O)[C@H]2C[C@H](OC)CN2S(C)(=O)=O)C1 ZINC000370507936 300835724 /nfs/dbraw/zinc/83/57/24/300835724.db2.gz KFFFEOXRIYDCOH-GUTXKFCHSA-N 0 0 348.465 0.046 10 0 ECAERN CC(C)(C)C(=O)N1CCC[C@H](C(=O)N2CCC[C@](O)(C(N)=O)C2)C1 ZINC000375776437 301208067 /nfs/dbraw/zinc/20/80/67/301208067.db2.gz QVYCWSKXHDUWQX-YVEFUNNKSA-N 0 0 339.436 0.110 10 0 ECAERN NC(=O)[C@@H]1CC(C(=O)NC[C@@H]2CCCC[C@@H]2O)=NN1c1ccccc1 ZINC000077149751 436226632 /nfs/dbraw/zinc/22/66/32/436226632.db2.gz ZBRNNDNFHPRZEJ-RCBQFDQVSA-N 0 0 344.415 0.774 10 0 ECAERN C[C@@H](NC(=O)Cn1ccccc1=O)c1ccc(S(N)(=O)=O)cc1 ZINC000044517105 436344110 /nfs/dbraw/zinc/34/41/10/436344110.db2.gz TXXRLZZVLUDURN-LLVKDONJSA-N 0 0 335.385 0.373 10 0 ECAERN CN(CCc1ccccn1)C(=O)CNC(=O)N[C@@H]1CCCC[C@@H]1CO ZINC000081491640 436348779 /nfs/dbraw/zinc/34/87/79/436348779.db2.gz HVDWUNMLBOJBJJ-GDBMZVCRSA-N 0 0 348.447 0.933 10 0 ECAERN Cc1ccc(C)c(S(=O)(=O)NCCNc2ccc3nnnn3n2)c1 ZINC000045726764 436373719 /nfs/dbraw/zinc/37/37/19/436373719.db2.gz AUPZKEILAYCWOL-UHFFFAOYSA-N 0 0 347.404 0.527 10 0 ECAERN COC(=O)[C@@H](NC(=O)[C@H]1CNC(=O)C1)c1ccc(Cl)c(F)c1 ZINC000089372718 436409386 /nfs/dbraw/zinc/40/93/86/436409386.db2.gz KKVJTGWRJBZCFY-PELKAZGASA-N 0 0 328.727 0.946 10 0 ECAERN CCCc1cc(NC(=O)C(=O)NC[C@H](C)N2CCOCC2)n(C)n1 ZINC000093192740 436483265 /nfs/dbraw/zinc/48/32/65/436483265.db2.gz BVROWBGWTPYUBA-LBPRGKRZSA-N 0 0 337.424 0.148 10 0 ECAERN CCOCCCNC(=O)[C@H](C)N1CCCN(c2cccnn2)CC1 ZINC000105799483 436577782 /nfs/dbraw/zinc/57/77/82/436577782.db2.gz JWCBUPGZXVBRRF-HNNXBMFYSA-N 0 0 335.452 0.920 10 0 ECAERN C[C@H](C(=O)NC(=O)NC1CC1)N1CCCN(c2cccnn2)CC1 ZINC000105799291 436578889 /nfs/dbraw/zinc/57/88/89/436578889.db2.gz RFIYHYUHQZMWHI-GFCCVEGCSA-N 0 0 332.408 0.365 10 0 ECAERN COC(=O)[C@H]1CCCN1C(=O)[C@H](C)N1C(=O)c2ccccc2C1=O ZINC000096560703 436533966 /nfs/dbraw/zinc/53/39/66/436533966.db2.gz IIDYYTHRKSZXDK-GXFFZTMASA-N 0 0 330.340 0.835 10 0 ECAERN Cc1ccc(C(=O)N2CC[C@H](n3c4ncncc4n(C)c3=O)C2)cn1 ZINC000097940723 436543926 /nfs/dbraw/zinc/54/39/26/436543926.db2.gz YJIWBAGZPBBZBW-ZDUSSCGKSA-N 0 0 338.371 0.921 10 0 ECAERN CN1CCO[C@H](CNC(=O)N2CCN(Cc3ccccc3)CC2)C1 ZINC000105282900 436572144 /nfs/dbraw/zinc/57/21/44/436572144.db2.gz LTYALGYNBWTBHU-QGZVFWFLSA-N 0 0 332.448 0.844 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)CNC(=O)c2cccc(F)c2)CC1 ZINC000106403293 436595521 /nfs/dbraw/zinc/59/55/21/436595521.db2.gz WWPDQLADERERMF-OAHLLOKOSA-N 0 0 337.395 0.471 10 0 ECAERN Cn1cc(N2CC[C@@H](N3CCCN(c4cccnn4)CC3)C2=O)cn1 ZINC000111227200 436630284 /nfs/dbraw/zinc/63/02/84/436630284.db2.gz YVFUNUMEKOQXTP-OAHLLOKOSA-N 0 0 341.419 0.528 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)C1CCN(C(=O)N(C)C)CC1)CC2 ZINC000114871385 436644336 /nfs/dbraw/zinc/64/43/36/436644336.db2.gz NBPSRVXFKRPKPX-CYBMUJFWSA-N 0 0 348.451 0.665 10 0 ECAERN CN1CCO[C@H](CNC(=O)NC[C@@](C)(O)c2ccc(F)cc2F)C1 ZINC000114526737 436642378 /nfs/dbraw/zinc/64/23/78/436642378.db2.gz BQOOCUBJOOIZRW-MLGOLLRUSA-N 0 0 343.374 0.802 10 0 ECAERN Cc1cc(=O)n(CC(=O)NCc2ccccc2)c(N2CCOCC2)n1 ZINC000065310974 436654915 /nfs/dbraw/zinc/65/49/15/436654915.db2.gz QJBLVCWPFPYFOY-UHFFFAOYSA-N 0 0 342.399 0.705 10 0 ECAERN CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)CC(=O)N3)C1 ZINC000150772577 436689348 /nfs/dbraw/zinc/68/93/48/436689348.db2.gz RWVIXWNTWZQAIN-ABAIWWIYSA-N 0 0 344.415 0.965 10 0 ECAERN CCC(=O)N1CC[C@@H](C(=O)N2CCCN(c3cccnn3)CC2)C1 ZINC000151103459 436696061 /nfs/dbraw/zinc/69/60/61/436696061.db2.gz CRBNWNVZUTYGAX-CQSZACIVSA-N 0 0 331.420 0.774 10 0 ECAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)CCC(=O)N1CCOCC1 ZINC000151590035 436705602 /nfs/dbraw/zinc/70/56/02/436705602.db2.gz WFNACDNTVNADDQ-GFCCVEGCSA-N 0 0 335.408 0.431 10 0 ECAERN CCc1noc2ncc(C(=O)NC[C@@H](O)CN3CCOCC3)cc12 ZINC000194697250 436669422 /nfs/dbraw/zinc/66/94/22/436669422.db2.gz SYISXGRKRVKJOV-GFCCVEGCSA-N 0 0 334.376 0.208 10 0 ECAERN C[C@@H]1C(=O)NCCCN1S(=O)(=O)c1cccc2nsnc21 ZINC000194812083 436672645 /nfs/dbraw/zinc/67/26/45/436672645.db2.gz KCSPSEQHXRRJDU-MRVPVSSYSA-N 0 0 326.403 0.590 10 0 ECAERN CCCCOC[C@@H](O)CN1CCN([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000195182922 436681831 /nfs/dbraw/zinc/68/18/31/436681831.db2.gz QUIDJTQYZCJAAG-IRXDYDNUSA-N 0 0 341.496 0.793 10 0 ECAERN CCn1c(N)c(C(=O)CN2CCCC[C@H]2c2cn[nH]c2)c(=O)[nH]c1=O ZINC000121815281 436726644 /nfs/dbraw/zinc/72/66/44/436726644.db2.gz ICBLFJHLAMMOFK-NSHDSACASA-N 0 0 346.391 0.272 10 0 ECAERN CN(C)C(=O)CNC(=O)N1CCN(c2nc3ccccc3o2)CC1 ZINC000121998035 436730485 /nfs/dbraw/zinc/73/04/85/436730485.db2.gz XAOILJIWQAMYIB-UHFFFAOYSA-N 0 0 331.376 0.748 10 0 ECAERN CC(C)NC(=O)CNC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 ZINC000123929583 436744090 /nfs/dbraw/zinc/74/40/90/436744090.db2.gz RPIKFGXQJGPYEJ-CZUORRHYSA-N 0 0 335.379 0.986 10 0 ECAERN C[C@H](NC(=O)N1CCN(c2cnccn2)CC1)C(=O)N1CCCCC1 ZINC000153425841 436756316 /nfs/dbraw/zinc/75/63/16/436756316.db2.gz NCMAPGZVRXFUME-AWEZNQCLSA-N 0 0 346.435 0.709 10 0 ECAERN C[C@H](C(=O)N(C)C)S(=O)(=O)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000248824415 436810768 /nfs/dbraw/zinc/81/07/68/436810768.db2.gz FSEMTCZTIWDZGD-WXHSDQCUSA-N 0 0 346.474 0.562 10 0 ECAERN CC(C)Oc1ccccc1CC(=O)NC[C@H](O)CN1CCOCC1 ZINC000128134023 436812977 /nfs/dbraw/zinc/81/29/77/436812977.db2.gz QQVNKPHLPHOBMP-INIZCTEOSA-N 0 0 336.432 0.826 10 0 ECAERN CN1CCO[C@@H](CNC(=O)N[C@H]2CCN(c3ncccc3F)C2)C1 ZINC000246058028 436772089 /nfs/dbraw/zinc/77/20/89/436772089.db2.gz DMSWIWLISNUPLG-STQMWFEESA-N 0 0 337.399 0.429 10 0 ECAERN CNC(=O)[C@H](NC(=O)N[C@H](C)C(=O)N1CCCC[C@@H]1C)C(C)C ZINC000246150549 436773720 /nfs/dbraw/zinc/77/37/20/436773720.db2.gz DRQRCSZIFZXIHS-YNEHKIRRSA-N 0 0 326.441 0.846 10 0 ECAERN CCn1cc(C2CCN(C(=O)NC[C@@H]3CC[C@H](C(N)=O)O3)CC2)cn1 ZINC000154264205 436774932 /nfs/dbraw/zinc/77/49/32/436774932.db2.gz KMVCJNWDRIRLDZ-LSDHHAIUSA-N 0 0 349.435 0.825 10 0 ECAERN CC[C@H]1CN(C(=O)C(=O)Nc2cnn(CC)c2)CCN1C[C@H](C)O ZINC000246477904 436778707 /nfs/dbraw/zinc/77/87/07/436778707.db2.gz QLIKRXMLBPYNID-JSGCOSHPSA-N 0 0 337.424 0.145 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)Nc1cnc(N(C)C)nc1)CC2 ZINC000154566547 436780370 /nfs/dbraw/zinc/78/03/70/436780370.db2.gz FXHKQJVOJRMPRN-SNVBAGLBSA-N 0 0 330.396 0.833 10 0 ECAERN C[C@@H](NC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)C(C)(C)C ZINC000126609273 436789468 /nfs/dbraw/zinc/78/94/68/436789468.db2.gz AOAYMRNFXQZFGJ-CQSZACIVSA-N 0 0 340.468 0.607 10 0 ECAERN O[C@H](COC1CCOCC1)CN1CCO[C@@H](Cn2cccn2)C1 ZINC000127518302 436803783 /nfs/dbraw/zinc/80/37/83/436803783.db2.gz QFDUBCXTZJEOOL-GOEBONIOSA-N 0 0 325.409 0.140 10 0 ECAERN CCOCCN1CCN(C(=O)N[C@H](C)C[S@@](C)=O)C[C@@H]1CC ZINC000248505226 436804281 /nfs/dbraw/zinc/80/42/81/436804281.db2.gz WADURQSMYKVLAA-ALLJEULLSA-N 0 0 333.498 0.896 10 0 ECAERN CCn1cc(CN2CCCN(C(=O)[C@H]3CCNC(=O)C3)CC2)cn1 ZINC000155795604 436804521 /nfs/dbraw/zinc/80/45/21/436804521.db2.gz HTVPKFVCVOYCDV-HNNXBMFYSA-N 0 0 333.436 0.464 10 0 ECAERN O=c1ccnc2sc(N3CCN(CC4CCCC4)C(=O)C3)nn21 ZINC000158420790 436845326 /nfs/dbraw/zinc/84/53/26/436845326.db2.gz HGIMNPNHEAFJDV-UHFFFAOYSA-N 0 0 333.417 0.990 10 0 ECAERN C[C@@H]1CN(S(=O)(=O)c2ccc(F)c(Cl)c2)C[C@H](C(N)=O)O1 ZINC000131004485 436846091 /nfs/dbraw/zinc/84/60/91/436846091.db2.gz KYNQVYSVQOVGHV-RDDDGLTNSA-N 0 0 336.772 0.742 10 0 ECAERN CS(=O)(=O)N1CCC[C@@H](CN2CCO[C@H](Cn3cccn3)C2)C1 ZINC000131491811 436853803 /nfs/dbraw/zinc/85/38/03/436853803.db2.gz PZPQZXVKGWAPAR-GJZGRUSLSA-N 0 0 342.465 0.256 10 0 ECAERN CCN(CC)S(=O)(=O)CC(=O)N[C@@H](C)c1nnc2n1CCCC2 ZINC000131598047 436854183 /nfs/dbraw/zinc/85/41/83/436854183.db2.gz UNVFRMAGGOCYFA-NSHDSACASA-N 0 0 343.453 0.463 10 0 ECAERN COc1ccc(C(=O)N2CCC[C@H](CO)CCNC(=O)CC2)cn1 ZINC000257178591 436856502 /nfs/dbraw/zinc/85/65/02/436856502.db2.gz BXLZOSCMZJDONW-ZDUSSCGKSA-N 0 0 335.404 0.831 10 0 ECAERN O=C(CCOc1ccc(F)cc1)NC[C@H](O)CN1CCOCC1 ZINC000128981587 436823145 /nfs/dbraw/zinc/82/31/45/436823145.db2.gz OBUXLWCHGSHADQ-AWEZNQCLSA-N 0 0 326.368 0.404 10 0 ECAERN C[C@H](C1CC1)n1nccc1NC(=O)NC[C@H](O)CN1CCOCC1 ZINC000157256703 436826828 /nfs/dbraw/zinc/82/68/28/436826828.db2.gz JNWBIGIVPVSBAB-OCCSQVGLSA-N 0 0 337.424 0.669 10 0 ECAERN O=C(Cn1cnnn1)N1CCN(C(=O)[C@H]2C[C@H]2C2CCCCC2)CC1 ZINC000163262121 436921276 /nfs/dbraw/zinc/92/12/76/436921276.db2.gz DBWKXRUTFIUFEN-GJZGRUSLSA-N 0 0 346.435 0.560 10 0 ECAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)N1CCNC(=O)[C@H]1C(C)C)CC2 ZINC000161558166 436894861 /nfs/dbraw/zinc/89/48/61/436894861.db2.gz IRNBUYHLRIYWNO-GXTWGEPZSA-N 0 0 348.451 0.882 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)Nc1cn(C)c(=O)cc1C)CC2 ZINC000162189746 436903135 /nfs/dbraw/zinc/90/31/35/436903135.db2.gz WAUJYKTZDVOTRR-LLVKDONJSA-N 0 0 330.392 0.984 10 0 ECAERN Nc1ccnc(CN2CCN(C[C@@H](O)COc3ccccc3)CC2)n1 ZINC000135055928 436908532 /nfs/dbraw/zinc/90/85/32/436908532.db2.gz QNMPLOROPMMLTR-OAHLLOKOSA-N 0 0 343.431 0.616 10 0 ECAERN O=C([C@H]1CC(F)(F)CN1)N1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000263304225 436962045 /nfs/dbraw/zinc/96/20/45/436962045.db2.gz XNYJUSXCPLQOHD-WDEREUQCSA-N 0 0 325.363 0.928 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)N[C@@H](CO)Cc2ccccc2)C1 ZINC000263376459 436963350 /nfs/dbraw/zinc/96/33/50/436963350.db2.gz BYTLALLPIOLGAA-HWOWSKLDSA-N 0 0 349.431 0.827 10 0 ECAERN O=C([O-])C[N@H+](CC1CC1)C1CC(NS(=O)(=O)C[C@@H]2CCCO2)C1 ZINC000263478261 436968507 /nfs/dbraw/zinc/96/85/07/436968507.db2.gz JYYSHUHRJFEADW-RUXDESIVSA-N 0 0 346.449 0.412 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)N2CC[C@@H](C(=O)OC)[C@@H]2C)C1 ZINC000263510968 436969802 /nfs/dbraw/zinc/96/98/02/436969802.db2.gz YSVMKIPJGJYVPT-YWPUVAFDSA-N 0 0 341.408 0.517 10 0 ECAERN Cn1ccnc(N2CCC[C@@H](NC(=O)CCc3ccccn3)C2)c1=O ZINC000275474756 436973678 /nfs/dbraw/zinc/97/36/78/436973678.db2.gz AQHMNZBYEKHTOU-OAHLLOKOSA-N 0 0 341.415 0.893 10 0 ECAERN Cc1nc2cc(=O)[nH]n2c(C)c1CCC(=O)NC[C@@H]1CN(C)CCO1 ZINC000171287113 436976402 /nfs/dbraw/zinc/97/64/02/436976402.db2.gz CENDKZCEEHGKEI-CYBMUJFWSA-N 0 0 347.419 0.431 10 0 ECAERN Nc1c(=O)[nH]c(=O)[nH]c1C(=O)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000168631804 436943426 /nfs/dbraw/zinc/94/34/26/436943426.db2.gz UTAJYVUSOLJWAF-QMMMGPOBSA-N 0 0 342.277 0.549 10 0 ECAERN Cc1ccc2nc(CN3CCO[C@H](C[N@@H+](C)CC(=O)[O-])C3)cn2c1 ZINC000262979587 436945642 /nfs/dbraw/zinc/94/56/42/436945642.db2.gz YNOBLXALGPVAJH-OAHLLOKOSA-N 0 0 332.404 0.860 10 0 ECAERN C[N@@H+](CC(=O)[O-])C[C@@H]1CN(C(=O)COc2ccc(F)cc2)CCO1 ZINC000263008978 436947681 /nfs/dbraw/zinc/94/76/81/436947681.db2.gz YKDWNKDUMNYAPN-CQSZACIVSA-N 0 0 340.351 0.448 10 0 ECAERN CCS(=O)(=O)NCCNC(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000172545414 437018945 /nfs/dbraw/zinc/01/89/45/437018945.db2.gz GXNZHMJUKRZGBI-UHFFFAOYSA-N 0 0 329.426 0.238 10 0 ECAERN O=C(c1cccc(-n2cncn2)c1)N1CC[C@H](N2CCOCC2)C1 ZINC000172769193 437028461 /nfs/dbraw/zinc/02/84/61/437028461.db2.gz XNMPJHVCTDSZJS-INIZCTEOSA-N 0 0 327.388 0.814 10 0 ECAERN Cn1ncc(C(=O)N2CC[C@H](N3CCOCC3)C2)c1-n1cccc1 ZINC000172766864 437029485 /nfs/dbraw/zinc/02/94/85/437029485.db2.gz HRTMMDRREDFCRA-AWEZNQCLSA-N 0 0 329.404 0.758 10 0 ECAERN CCn1cnnc1C1CCN(S(=O)(=O)C[C@@H]2CCCO2)CC1 ZINC000171645429 436983978 /nfs/dbraw/zinc/98/39/78/436983978.db2.gz NMFCEFHLPVVXIR-ZDUSSCGKSA-N 0 0 328.438 0.986 10 0 ECAERN CCOc1ccnc(N2CCN(C(=O)NCCn3cccn3)CC2)n1 ZINC000172037409 436996936 /nfs/dbraw/zinc/99/69/36/436996936.db2.gz QRVFYQRQZIFUTA-UHFFFAOYSA-N 0 0 345.407 0.604 10 0 ECAERN COCCN1CCN(C(=O)NCCN2CCOC(C)(C)C2)C[C@@H]1C ZINC000172333557 437010169 /nfs/dbraw/zinc/01/01/69/437010169.db2.gz VAWGQIOIEDIOPX-HNNXBMFYSA-N 0 0 342.484 0.459 10 0 ECAERN COCCN1CCN(C(=O)NCCN2CCOC(C)(C)C2)C[C@H]1C ZINC000172333554 437010240 /nfs/dbraw/zinc/01/02/40/437010240.db2.gz VAWGQIOIEDIOPX-OAHLLOKOSA-N 0 0 342.484 0.459 10 0 ECAERN CCc1nccn1[C@H]1CCCN(C(=O)NCCS(C)(=O)=O)C1 ZINC000172413251 437014684 /nfs/dbraw/zinc/01/46/84/437014684.db2.gz IMGIGGJHFQJEKQ-LBPRGKRZSA-N 0 0 328.438 0.837 10 0 ECAERN CCC[C@@H](O)CNC(=O)N[C@@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000173567098 437055878 /nfs/dbraw/zinc/05/58/78/437055878.db2.gz DDLGGMIYNVFGCK-CHWSQXEVSA-N 0 0 337.424 0.684 10 0 ECAERN CCc1nnc([C@H]2CN(C(=O)c3ccc4[nH]c(=O)[nH]c4c3)CCO2)[nH]1 ZINC000173609546 437058995 /nfs/dbraw/zinc/05/89/95/437058995.db2.gz AWVIGMVJXMUAPR-GFCCVEGCSA-N 0 0 342.359 0.750 10 0 ECAERN COc1cccc(CNC(=O)CN2CCO[C@@H](c3nnc(C)[nH]3)C2)c1 ZINC000173666759 437060075 /nfs/dbraw/zinc/06/00/75/437060075.db2.gz YKZDGNACAZLEKO-OAHLLOKOSA-N 0 0 345.403 0.811 10 0 ECAERN Cn1c2c(nc1[C@H]1CCCN1CC(=O)N1CCNC1=O)CCCC2 ZINC000276130410 437060781 /nfs/dbraw/zinc/06/07/81/437060781.db2.gz YIBSTXFCABFOCB-CQSZACIVSA-N 0 0 331.420 0.988 10 0 ECAERN CC(C)CCC(=O)NCC(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000173879689 437065724 /nfs/dbraw/zinc/06/57/24/437065724.db2.gz GLOYLLTZEJTIFO-HUUCEWRRSA-N 0 0 325.453 0.718 10 0 ECAERN CCN(CC)C(=O)[C@@H]1CCCN1C(=O)N[C@@H]1CCc2nc(C)nn2C1 ZINC000174634093 437083387 /nfs/dbraw/zinc/08/33/87/437083387.db2.gz WZYWOHWZQWAFSL-KGLIPLIRSA-N 0 0 348.451 0.944 10 0 ECAERN Cc1cc(N2CCC[C@H](NC(=O)c3cnc(C)cn3)C2=O)n(C)n1 ZINC000174980355 437092922 /nfs/dbraw/zinc/09/29/22/437092922.db2.gz KXZZKOBBDWVAKJ-LBPRGKRZSA-N 0 0 328.376 0.752 10 0 ECAERN CC(=O)N1CCC[C@H]1C(=O)N1CCCN(Cc2noc(C)n2)CC1 ZINC000174998248 437093315 /nfs/dbraw/zinc/09/33/15/437093315.db2.gz CRGLDRMMEKGMSR-AWEZNQCLSA-N 0 0 335.408 0.423 10 0 ECAERN NC(=O)[C@@H]1COCCN1C(=O)c1cccc(F)c1Br ZINC000129683872 303307729 /nfs/dbraw/zinc/30/77/29/303307729.db2.gz ACHBLWJNJODMMZ-VIFPVBQESA-N 0 0 331.141 0.915 10 0 ECAERN CC(=O)N[C@H]1CCCN(C(=O)NCCn2c3ccccc3[nH]c2=O)C1 ZINC000175043461 437094286 /nfs/dbraw/zinc/09/42/86/437094286.db2.gz SLIPHSRCNVUOLV-ZDUSSCGKSA-N 0 0 345.403 0.640 10 0 ECAERN Cc1ccn(CC(=O)N2C[C@@H](C(N)=O)[C@H](C(F)(F)F)C2)c(=O)c1 ZINC000299740500 437107871 /nfs/dbraw/zinc/10/78/71/437107871.db2.gz BDWVYSLCNALLRD-NXEZZACHSA-N 0 0 331.294 0.279 10 0 ECAERN C[C@@H]1CN(CCN(C)c2cc(N3CCC[C@H]3CO)ncn2)C[C@H](C)O1 ZINC000302866814 437150605 /nfs/dbraw/zinc/15/06/05/437150605.db2.gz VSQMZYAPXLGJRC-XHSDSOJGSA-N 0 0 349.479 0.983 10 0 ECAERN COc1ccc(C(=O)NCC(=O)N[C@H]2CCCn3ncnc32)cc1 ZINC000175822689 437116871 /nfs/dbraw/zinc/11/68/71/437116871.db2.gz CKYHJWIBUFABMY-ZDUSSCGKSA-N 0 0 329.360 0.668 10 0 ECAERN Cc1cc(N2CCC[C@H](NC(=O)NCc3cnn(C)c3)C2=O)n(C)n1 ZINC000175825074 437120809 /nfs/dbraw/zinc/12/08/09/437120809.db2.gz SMQQTBRMIRHVLG-ZDUSSCGKSA-N 0 0 345.407 0.457 10 0 ECAERN COc1ccc(NC(=O)C(=O)N[C@H]2CCc3ncnn3C2)cc1F ZINC000177626451 437192278 /nfs/dbraw/zinc/19/22/78/437192278.db2.gz DBVSAYROFHLNDV-JTQLQIEISA-N 0 0 333.323 0.496 10 0 ECAERN O=S(=O)(Cc1coc(-c2ccc(F)c(F)c2)n1)C[C@H](O)CO ZINC000177672232 437194776 /nfs/dbraw/zinc/19/47/76/437194776.db2.gz LKKPHVQYDOZEOK-SNVBAGLBSA-N 0 0 333.312 0.888 10 0 ECAERN CNC(=O)[C@H](NC(=O)CCNC(=O)c1[nH]nc2ccccc21)C(C)C ZINC000178711390 437225492 /nfs/dbraw/zinc/22/54/92/437225492.db2.gz LUIZLCZFQCUMDS-CQSZACIVSA-N 0 0 345.403 0.570 10 0 ECAERN COC[C@H](C)S(=O)(=O)N1CC[C@](O)(c2nc(C3CC3)no2)C1 ZINC000328609203 437239721 /nfs/dbraw/zinc/23/97/21/437239721.db2.gz CKWWARXEMRLGTL-TVQRCGJNSA-N 0 0 331.394 0.205 10 0 ECAERN O=S(=O)(CC1CCC1)N1CC[C@](O)(c2nc(C3CC3)no2)C1 ZINC000328612989 437240457 /nfs/dbraw/zinc/24/04/57/437240457.db2.gz QNJMHDNANNYGJM-CQSZACIVSA-N 0 0 327.406 0.970 10 0 ECAERN O=C(CN1C[C@H](O)C[C@@H]1CO)NCCc1nc2ccccc2s1 ZINC000179178930 437254883 /nfs/dbraw/zinc/25/48/83/437254883.db2.gz VPUABUVUEOXDIP-VXGBXAGGSA-N 0 0 335.429 0.383 10 0 ECAERN CC(C)c1nc([C@H]2CCCN2Cc2cn(C)c(=O)n(C)c2=O)no1 ZINC000179840287 437276766 /nfs/dbraw/zinc/27/67/66/437276766.db2.gz LAOYPOZAJBKWPJ-GFCCVEGCSA-N 0 0 333.392 0.928 10 0 ECAERN Cc1nnc([C@H]2CN(C(=O)C(=O)Nc3cccc(C)c3)CCO2)[nH]1 ZINC000180226300 437283697 /nfs/dbraw/zinc/28/36/97/437283697.db2.gz XOUDLEZBYVHBDX-CYBMUJFWSA-N 0 0 329.360 0.960 10 0 ECAERN CC(C)n1nccc1NC(=O)C(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000180258655 437284278 /nfs/dbraw/zinc/28/42/78/437284278.db2.gz NRYUXEGCVKOREP-KBPBESRZSA-N 0 0 349.435 0.582 10 0 ECAERN Cc1cccc(NC(=O)C(=O)N2CCN(C[C@@H](C)O)[C@H](C)C2)c1F ZINC000180680949 437298220 /nfs/dbraw/zinc/29/82/20/437298220.db2.gz KAKXEUQKEKSBBO-CHWSQXEVSA-N 0 0 337.395 0.986 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)NCC2CCN(C(C)=O)CC2)CC1 ZINC000181718699 437327607 /nfs/dbraw/zinc/32/76/07/437327607.db2.gz WQUOQIKWVZFOHK-MRXNPFEDSA-N 0 0 340.468 0.343 10 0 ECAERN Cc1nccc(N2CCN(C(=O)NCC(=O)NCC3CC3)CC2)n1 ZINC000185059586 437424795 /nfs/dbraw/zinc/42/47/95/437424795.db2.gz XWWWZWHUTLZMEY-UHFFFAOYSA-N 0 0 332.408 0.143 10 0 ECAERN CC(C)C(=O)NC[C@@H]1CCCN(C(=O)NCC(=O)NCC2CC2)C1 ZINC000183784054 437390558 /nfs/dbraw/zinc/39/05/58/437390558.db2.gz QESGQOBSTWANHE-AWEZNQCLSA-N 0 0 338.452 0.706 10 0 ECAERN CCOCC[N@@H+]1CCN(C(=O)NCC(=O)NCC2CC2)C[C@H]1CC ZINC000183775604 437391267 /nfs/dbraw/zinc/39/12/67/437391267.db2.gz ATKGSWDMQXBNBP-OAHLLOKOSA-N 0 0 340.468 0.655 10 0 ECAERN Cc1nnc([C@H]2CN(C(=O)Nc3nc4ccccn4n3)CCO2)[nH]1 ZINC000184404056 437400937 /nfs/dbraw/zinc/40/09/37/437400937.db2.gz LCGQUOMUKBYMIW-SNVBAGLBSA-N 0 0 328.336 0.761 10 0 ECAERN COCC(=O)NC1CN(C(=O)c2cn(-c3ccccc3Cl)nn2)C1 ZINC000186310227 437470226 /nfs/dbraw/zinc/47/02/26/437470226.db2.gz QWIYDYNXVKUJGV-UHFFFAOYSA-N 0 0 349.778 0.508 10 0 ECAERN C[C@H](NC(=O)c1cc2c(cn1)nc[nH]c2=O)c1nnc2n1CCCC2 ZINC000186580852 437478153 /nfs/dbraw/zinc/47/81/53/437478153.db2.gz YYYGJIHRYXPRMK-VIFPVBQESA-N 0 0 339.359 0.737 10 0 ECAERN CN(C)c1noc(CN2CCN(C[C@@H](O)c3ccccc3)CC2)n1 ZINC000185258231 437432640 /nfs/dbraw/zinc/43/26/40/437432640.db2.gz DKCZEMHLLUUIHR-OAHLLOKOSA-N 0 0 331.420 0.987 10 0 ECAERN CC(C)[C@H](O)CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCOCC1 ZINC000185398794 437436532 /nfs/dbraw/zinc/43/65/32/437436532.db2.gz DNVXGYGJUUEAQU-IAGOWNOFSA-N 0 0 348.443 0.980 10 0 ECAERN COc1ccc(F)cc1CC(=O)NC[C@H](O)CN1CCOCC1 ZINC000185607028 437446134 /nfs/dbraw/zinc/44/61/34/437446134.db2.gz FVCORXMMLMKTSB-AWEZNQCLSA-N 0 0 326.368 0.186 10 0 ECAERN COc1ccc2c(c1)nc(CNC(=O)NC[C@H]1CN(C)CCO1)n2C ZINC000185678540 437447432 /nfs/dbraw/zinc/44/74/32/437447432.db2.gz ABDFFPSAZVRSMH-ZDUSSCGKSA-N 0 0 347.419 0.712 10 0 ECAERN CNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2Cn2ccnc2)cn1 ZINC000186036923 437458764 /nfs/dbraw/zinc/45/87/64/437458764.db2.gz RQXASGRXHNHFAD-CYBMUJFWSA-N 0 0 349.416 0.491 10 0 ECAERN CCOC(=O)c1nn(C)cc1CN1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000186261939 437468443 /nfs/dbraw/zinc/46/84/43/437468443.db2.gz AHSAHCDUNKPZSF-UKRRQHHQSA-N 0 0 336.436 0.749 10 0 ECAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000188404577 437545401 /nfs/dbraw/zinc/54/54/01/437545401.db2.gz QBBGCJYOZFUJFB-HZPDHXFCSA-N 0 0 335.379 0.456 10 0 ECAERN COCC(=O)NC1CN(C(=O)NCCN2c3ccccc3C[C@@H]2C)C1 ZINC000188544042 437554970 /nfs/dbraw/zinc/55/49/70/437554970.db2.gz PMSDPKCFKCNOFQ-ZDUSSCGKSA-N 0 0 346.431 0.594 10 0 ECAERN COCC(=O)NC1CN(C(=O)c2nc(Br)cs2)C1 ZINC000189015356 437580840 /nfs/dbraw/zinc/58/08/40/437580840.db2.gz BKGVSAMMTGYBBN-UHFFFAOYSA-N 0 0 334.195 0.493 10 0 ECAERN COc1ncccc1NC(=O)C(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000190751955 437635942 /nfs/dbraw/zinc/63/59/42/437635942.db2.gz LFYNPIRCIJDEJA-GFCCVEGCSA-N 0 0 329.360 0.916 10 0 ECAERN COCCc1ccccc1NC(=O)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000190876692 437641636 /nfs/dbraw/zinc/64/16/36/437641636.db2.gz UIQJHVWHEJGMDX-CYBMUJFWSA-N 0 0 343.387 0.537 10 0 ECAERN CC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2ccnn2[C@H](C)C2CC2)C1 ZINC000191989523 437659846 /nfs/dbraw/zinc/65/98/46/437659846.db2.gz CJFQLMSNGPPCOD-RISCZKNCSA-N 0 0 347.419 0.920 10 0 ECAERN Cc1nn(C)c(C)c1CCNC(=O)[C@H](Cc1ccccc1)NC(N)=O ZINC000192498781 437680561 /nfs/dbraw/zinc/68/05/61/437680561.db2.gz SZZSZPFWTNGGDR-INIZCTEOSA-N 0 0 343.431 0.975 10 0 ECAERN CC(=O)N[C@H]1CCCN(C(=O)CCn2c3ccccc3n(C)c2=O)C1 ZINC000193575028 437710289 /nfs/dbraw/zinc/71/02/89/437710289.db2.gz DQPUZDAGGMPLKH-AWEZNQCLSA-N 0 0 344.415 0.857 10 0 ECAERN O=C(N[C@@H]1CCNC1=O)c1cccc(I)c1 ZINC000597855099 439194179 /nfs/dbraw/zinc/19/41/79/439194179.db2.gz HZJXGFPCVINOMM-SECBINFHSA-N 0 0 330.125 0.910 10 0 ECAERN O[C@@]1(c2cn[nH]n2)CCCN(Cc2ncn(-c3ccccc3)n2)C1 ZINC000583617896 439489307 /nfs/dbraw/zinc/48/93/07/439489307.db2.gz GZNCJGLTVSIHLC-INIZCTEOSA-N 0 0 325.376 0.869 10 0 ECAERN CCOC(=O)C1=CN=C2N=CC(I)=CN2[C@@H]1O ZINC000585656111 439641925 /nfs/dbraw/zinc/64/19/25/439641925.db2.gz HMCKYDLQTZMTOT-MRVPVSSYSA-N 0 0 347.112 0.784 10 0 ECAERN O=C(N[C@H]1C[C@@H](O)[C@@H]1n1cccn1)C1CCN(c2cnccn2)CC1 ZINC000616768390 439821850 /nfs/dbraw/zinc/82/18/50/439821850.db2.gz AAVWIUFQYUWIBI-SQWLQELKSA-N 0 0 342.403 0.380 10 0 ECAERN Cc1c(S(=O)(=O)NC[C@@H]2CCO[C@H]2c2nccn2C)cnn1C ZINC000659992106 440561413 /nfs/dbraw/zinc/56/14/13/440561413.db2.gz GJKMLNUXUFXZAL-WCQYABFASA-N 0 0 339.421 0.518 10 0 ECAERN Cc1cc(C2(C(=O)N(C)C[C@@H]3CN(C)CCO3)CCOCC2)on1 ZINC000633917384 440574362 /nfs/dbraw/zinc/57/43/62/440574362.db2.gz WRAFIJGOKLWYDD-AWEZNQCLSA-N 0 0 337.420 0.820 10 0 ECAERN Cn1c(NC(=O)C[C@@H]2CS(=O)(=O)CCN2C)nc2cccnc21 ZINC000644432573 440588710 /nfs/dbraw/zinc/58/87/10/440588710.db2.gz NGSVDFMCVKTSRZ-SNVBAGLBSA-N 0 0 337.405 0.026 10 0 ECAERN Cc1nnc2n1C[C@@H](C(=O)N1CCc3cc[nH]c(=O)c3C1)N(C)C2 ZINC000644445697 440594538 /nfs/dbraw/zinc/59/45/38/440594538.db2.gz JEAUYGGYKFZBLR-ZDUSSCGKSA-N 0 0 328.376 0.086 10 0 ECAERN COCCN1CCCN(C(=O)C[C@@H](C)N2CCCCC2=O)CC1=O ZINC000328738415 320730041 /nfs/dbraw/zinc/73/00/41/320730041.db2.gz KUACDXXHCHQOMF-CQSZACIVSA-N 0 0 339.436 0.485 10 0 ECAERN COCCN1CCCN(C(=O)C[C@H]2CCCCNC2=O)CC1=O ZINC000328877740 320738286 /nfs/dbraw/zinc/73/82/86/320738286.db2.gz UFUUETJKMVBDJG-CYBMUJFWSA-N 0 0 325.409 0.840 10 0 ECAERN Cc1cc(C(=O)Nc2cnn(CC(=O)N3CCN(C)CC3)c2)no1 ZINC000329117110 320754146 /nfs/dbraw/zinc/75/41/46/320754146.db2.gz UIQTYETYPYHJJI-UHFFFAOYSA-N 0 0 332.364 0.206 10 0 ECAERN O=C([C@@H]1CCCCS1(=O)=O)N1CCC[C@@](O)(C(F)(F)F)C1 ZINC000330003759 320800053 /nfs/dbraw/zinc/80/00/53/320800053.db2.gz ANFYKSMEYQHYGO-ONGXEEELSA-N 0 0 329.340 0.870 10 0 ECAERN COC[C@@H]1C[C@H](OC)CN1S(=O)(=O)c1cn(CC(C)C)cn1 ZINC000343179706 321126740 /nfs/dbraw/zinc/12/67/40/321126740.db2.gz NQEVPMIRAUTIKD-STQMWFEESA-N 0 0 331.438 0.964 10 0 ECAERN C[C@H]1OCCN(CC(=O)N(Cc2ccccc2)C2CC2)[C@@H]1C(N)=O ZINC000346479584 321223492 /nfs/dbraw/zinc/22/34/92/321223492.db2.gz FBUTUPKEGIMZBU-DYVFJYSZSA-N 0 0 331.416 0.752 10 0 ECAERN CCC(=O)N1CSC[C@@H]1C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000374156525 321835901 /nfs/dbraw/zinc/83/59/01/321835901.db2.gz HCSHISMRFJKYDP-CHWSQXEVSA-N 0 0 327.450 0.231 10 0 ECAERN O=C(N[C@H]1CCC(=O)N[C@@H]1[C@@H]1CCCO1)c1cc(C(F)(F)F)n[nH]1 ZINC000555611310 322185647 /nfs/dbraw/zinc/18/56/47/322185647.db2.gz MGDVIXJNFFPLLD-DXBFQKDVSA-N 0 0 346.309 0.985 10 0 ECAERN COc1ccccc1COC[C@@H](O)CN1CC(NC(=O)C2CC2)C1 ZINC000187981686 534092708 /nfs/dbraw/zinc/09/27/08/534092708.db2.gz VEBLIFRVCCILEI-INIZCTEOSA-N 0 0 334.416 0.783 10 0 ECAERN Cc1ccc2cccc(C(=O)NC[C@@H](O)CN3CCOCC3)c2n1 ZINC000129966798 534477863 /nfs/dbraw/zinc/47/78/63/534477863.db2.gz BDNHTHPORFMSIP-OAHLLOKOSA-N 0 0 329.400 0.966 10 0 ECAERN NS(=O)(=O)CCN1CCN(Cc2ccc3ccccc3n2)CC1 ZINC000132111482 534696679 /nfs/dbraw/zinc/69/66/79/534696679.db2.gz CZGXSIFEFDRHCB-UHFFFAOYSA-N 0 0 334.445 0.641 10 0 ECAERN Cc1cnn(CCNC(=O)N[C@H]2CCCN(c3ncccn3)C2)c1 ZINC000172276452 534745889 /nfs/dbraw/zinc/74/58/89/534745889.db2.gz BZONLIWHMNNPEM-AWEZNQCLSA-N 0 0 329.408 0.950 10 0 ECAERN CC(=O)NC1CN(C(=O)C(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000191348441 526705499 /nfs/dbraw/zinc/70/54/99/526705499.db2.gz KMAXZWRWNPIURK-UHFFFAOYSA-N 0 0 329.278 0.991 10 0 ECAERN CC(=O)NC1CN(C(=O)NCc2cnn(Cc3ccccc3)c2)C1 ZINC000189830141 526709615 /nfs/dbraw/zinc/70/96/15/526709615.db2.gz ONRLIQHBACLOSE-UHFFFAOYSA-N 0 0 327.388 0.961 10 0 ECAERN CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NC(CO)CO ZINC000132443868 528571028 /nfs/dbraw/zinc/57/10/28/528571028.db2.gz PWRBOQBSJBOWNE-CYBMUJFWSA-N 0 0 328.796 0.564 10 0 ECAERN CCCOc1cccc(CC(=O)NC[C@H](O)CN2CCOCC2)c1 ZINC000132465733 528741681 /nfs/dbraw/zinc/74/16/81/528741681.db2.gz KHJVPJMTUNXRGU-INIZCTEOSA-N 0 0 336.432 0.827 10 0 ECAERN CC(C)[C@H](NC(=O)C(=O)Nc1cccnc1Br)C(N)=O ZINC000189544328 529077596 /nfs/dbraw/zinc/07/75/96/529077596.db2.gz FBPOFXKMGQYIPQ-QMMMGPOBSA-N 0 0 343.181 0.409 10 0 ECAERN CC1(C)C[C@@H](NC(=O)Cn2ccc(=O)[nH]c2=O)c2ccccc2O1 ZINC000158984443 529137123 /nfs/dbraw/zinc/13/71/23/529137123.db2.gz FDIWWZWCRSEIJV-GFCCVEGCSA-N 0 0 329.356 0.955 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)N1CCO[C@@H]([C@@H]3CCCO3)C1)CC2 ZINC000121519411 545755350 /nfs/dbraw/zinc/75/53/50/545755350.db2.gz RJIKMTPJYAJKJJ-HZSPNIEDSA-N 0 0 349.435 0.745 10 0 ECAERN O=C(N[C@@H]1CCN(C(=O)C2CCCC2)C1)N[C@@H]1CCc2ncnn2C1 ZINC000130658067 545787165 /nfs/dbraw/zinc/78/71/65/545787165.db2.gz GJMUQZZXBNESGB-ZIAGYGMSSA-N 0 0 346.435 0.683 10 0 ECAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)c1cc(S(N)(=O)=O)ccc1C ZINC000176290984 545871489 /nfs/dbraw/zinc/87/14/89/545871489.db2.gz NECBKDNIUSMHNX-CYBMUJFWSA-N 0 0 349.416 0.807 10 0 ECAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1C[C@@H](c2ccccc2)OC[C@H]1C ZINC000188876835 545903028 /nfs/dbraw/zinc/90/30/28/545903028.db2.gz OSRJZOBJDOHZED-YYQUZTFQSA-N 0 0 332.400 0.957 10 0 ECAERN Cn1cc([C@H]2CS(=O)(=O)CCN2C(=O)NCCC2CC2)cn1 ZINC000190293719 545906991 /nfs/dbraw/zinc/90/69/91/545906991.db2.gz YKPZVMFTGCLZGV-CYBMUJFWSA-N 0 0 326.422 0.701 10 0 ECAERN Cc1nc(C)c(Br)c(N2CCC[C@@](O)(C(N)=O)C2)n1 ZINC000322795562 545997944 /nfs/dbraw/zinc/99/79/44/545997944.db2.gz APGYCUKBDPUUHX-LBPRGKRZSA-N 0 0 329.198 0.673 10 0 ECAERN C[C@@H](C(=O)N1CC[C@]2(CNC(=O)C2)C1)N1C(=O)c2ccccc2C1=O ZINC000170191782 578130894 /nfs/dbraw/zinc/13/08/94/578130894.db2.gz KEBKCAXSDGAFCN-VOJFVSQTSA-N 0 0 341.367 0.410 10 0 ECAERN COc1ccccc1C1(NC(=O)c2cn([C@@H]3COC[C@H]3O)nn2)CC1 ZINC000888094407 586348942 /nfs/dbraw/zinc/34/89/42/586348942.db2.gz XIFGGDQFVCTVDV-ZIAGYGMSSA-N 0 0 344.371 0.638 10 0 ECAERN Cc1cc(C(=O)N[C@@H]2CCCC[C@@H]2Cc2nn(C)c(=O)n2C)[nH]n1 ZINC000888094656 586349147 /nfs/dbraw/zinc/34/91/47/586349147.db2.gz HLPHSECBKPFUOD-VXGBXAGGSA-N 0 0 332.408 0.682 10 0 ECAERN Cc1ncc(Cl)c(C(=O)N[C@H]2CCC(=O)N[C@@H]2[C@@H]2CCCO2)n1 ZINC000888094692 586349174 /nfs/dbraw/zinc/34/91/74/586349174.db2.gz ALYQLQLXSIRXQW-MJVIPROJSA-N 0 0 338.795 0.994 10 0 ECAERN Cc1ccc(C(=O)NCc2nc([C@H]3COCCN3C)n[nH]2)c(C)n1 ZINC000888095257 586349343 /nfs/dbraw/zinc/34/93/43/586349343.db2.gz VXWFAXKWWYEVIZ-CYBMUJFWSA-N 0 0 330.392 0.750 10 0 ECAERN COc1c(C(=O)N2CC[C@@H](c3cc(=O)[nH]c(N(C)C)n3)C2)cnn1C ZINC000888095239 586349398 /nfs/dbraw/zinc/34/93/98/586349398.db2.gz UXRIXTUORDVTGR-SNVBAGLBSA-N 0 0 346.391 0.620 10 0 ECAERN Cn1cc(CC(=O)N2CCC[C@](O)(Cc3nc(C4CC4)no3)C2)cn1 ZINC000818494285 587435165 /nfs/dbraw/zinc/43/51/65/587435165.db2.gz OIVAFRSRZKGUBQ-KRWDZBQOSA-N 0 0 345.403 0.819 10 0 ECAERN COCCNS(=O)(=O)[C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000105563807 589114065 /nfs/dbraw/zinc/11/40/65/589114065.db2.gz QDWKDDYCBPXPNX-AWEZNQCLSA-N 0 0 342.417 0.963 10 0 ECAERN CC(=O)N[C@@H]1CCCN(Cn2nnn(C3CCOCC3)c2=S)C1 ZINC000106062458 589173036 /nfs/dbraw/zinc/17/30/36/589173036.db2.gz QVXACMHEWRSKIB-GFCCVEGCSA-N 0 0 340.453 0.719 10 0 ECAERN C[C@@H]1CN(Cn2nc(N3CCCC3)sc2=S)C[C@H](C(N)=O)O1 ZINC000120200082 590095236 /nfs/dbraw/zinc/09/52/36/590095236.db2.gz AMMJBXLXRREJCV-NXEZZACHSA-N 0 0 343.478 0.806 10 0 ECAERN O=S(=O)(/C=C/c1ccccc1)NC[C@@H](O)CN1CCOCC1 ZINC000126338553 590438425 /nfs/dbraw/zinc/43/84/25/590438425.db2.gz JGUPQXLOFATCDX-KDHUCADRSA-N 0 0 326.418 0.270 10 0 ECAERN O=C(Nc1cnc2ccnn2c1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000888914495 590565712 /nfs/dbraw/zinc/56/57/12/590565712.db2.gz BKMUGWACTFGMIQ-CYBMUJFWSA-N 0 0 327.348 0.859 10 0 ECAERN CCN1C(=O)CC[C@H](CNC(=O)c2ncn(C)n2)[C@H]1c1nccn1C ZINC000886027924 590786819 /nfs/dbraw/zinc/78/68/19/590786819.db2.gz GXBBRJLNCMSQAX-YPMHNXCESA-N 0 0 345.407 0.278 10 0 ECAERN CCN1CCO[C@@H](CNC(=O)c2ncoc2C)[C@@H]1c1nccn1C ZINC000886027086 590787322 /nfs/dbraw/zinc/78/73/22/590787322.db2.gz DRQORPACFLUEFO-GXTWGEPZSA-N 0 0 333.392 0.908 10 0 ECAERN O=C(c1coc(CC2CC2)n1)N1CCC[C@@](O)(Cn2ccnn2)C1 ZINC000886041248 590787951 /nfs/dbraw/zinc/78/79/51/590787951.db2.gz DYKDSUZUJOXOPP-INIZCTEOSA-N 0 0 331.376 0.886 10 0 ECAERN COCCN1C(=O)N[C@@H]2CN(Cc3c(C)nn(C)c3Cl)CC[C@@H]21 ZINC000886031209 590788212 /nfs/dbraw/zinc/78/82/12/590788212.db2.gz HFGMSXYLMPEFIY-OLZOCXBDSA-N 0 0 341.843 0.996 10 0 ECAERN CO[C@H]1CCCCN(CC(=O)N2CCN(c3ncccn3)CC2)C1=O ZINC000886075274 590790752 /nfs/dbraw/zinc/79/07/52/590790752.db2.gz HGPLVLORWXPKGO-AWEZNQCLSA-N 0 0 347.419 0.153 10 0 ECAERN CO[C@@H]1CN(C(=O)COc2ccc(F)cc2)C[C@H]1c1cn(C)nn1 ZINC000886075315 590790811 /nfs/dbraw/zinc/79/08/11/590790811.db2.gz IPVPKDXNGRGKMU-DZGCQCFKSA-N 0 0 334.351 0.974 10 0 ECAERN CC(=O)NCc1cc(O[C@@H]2CCN(S(=O)(=O)C3CC3)C2)ccn1 ZINC000886079879 590791915 /nfs/dbraw/zinc/79/19/15/590791915.db2.gz KVVSYCDXDBQPKP-CQSZACIVSA-N 0 0 339.417 0.663 10 0 ECAERN CC(C)c1n[nH]cc1C(=O)N1CCC[C@@](O)(Cc2nncn2C)C1 ZINC000886084761 590792757 /nfs/dbraw/zinc/79/27/57/590792757.db2.gz FULCXWLHASXRRO-MRXNPFEDSA-N 0 0 332.408 0.871 10 0 ECAERN Cc1noc(C[C@@]2(O)CCCN(Cc3cn4cccnc4n3)C2)n1 ZINC000886097193 590795334 /nfs/dbraw/zinc/79/53/34/590795334.db2.gz RZZLPIIJHLPZBY-INIZCTEOSA-N 0 0 328.376 0.990 10 0 ECAERN O=C([O-])[C@]1([NH+]2CCN(C(=O)Cc3cccc(F)c3)CC2)CCOC1 ZINC000886096927 590795796 /nfs/dbraw/zinc/79/57/96/590795796.db2.gz OXIGADMGAFFKIY-KRWDZBQOSA-N 0 0 336.363 0.756 10 0 ECAERN CCCn1cc(NC(=O)C(=O)N2CCN(C[C@@H](C)O)[C@@H](C)C2)cn1 ZINC000158365471 611448088 /nfs/dbraw/zinc/44/80/88/611448088.db2.gz YFMCDDOPQMBMGH-QWHCGFSZSA-N 0 0 337.424 0.145 10 0 ECAERN CC(C)N1C[C@@H](C)[C@@H](NC(=O)CS[C@@H]2CCS(=O)(=O)C2)C1 ZINC000159090206 611453212 /nfs/dbraw/zinc/45/32/12/611453212.db2.gz PJYBBUZWOAUKJC-UPJWGTAASA-N 0 0 334.507 0.752 10 0 ECAERN C[C@H]1CC[C@@H](C(=O)NCC2CCN(S(=O)(=O)C(F)F)CC2)O1 ZINC000178270937 609034973 /nfs/dbraw/zinc/03/49/73/609034973.db2.gz VEACKNZDULLCFO-ONGXEEELSA-N 0 0 340.392 0.935 10 0 ECAERN Cn1c2[nH]c(CCCNC(=O)c3cccs3)nc2c(=O)n(C)c1=O ZINC000222488330 609081196 /nfs/dbraw/zinc/08/11/96/609081196.db2.gz MHVIVOOVJHGSDA-UHFFFAOYSA-N 0 0 347.400 0.384 10 0 ECAERN Cc1cnc(NC(=O)CCc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)s1 ZINC000222724612 609106301 /nfs/dbraw/zinc/10/63/01/609106301.db2.gz LOJRMTFURSTUJC-UHFFFAOYSA-N 0 0 348.388 0.297 10 0 ECAERN Cn1cc([C@H]2CN(C(=O)C(C)(C)c3nccs3)C[C@@H]2C(N)=O)cn1 ZINC000908116692 609644917 /nfs/dbraw/zinc/64/49/17/609644917.db2.gz XPCOTUDVYBDUGC-NEPJUHHUSA-N 0 0 347.444 0.882 10 0 ECAERN COC(=O)C[C@H]1COCCN1C(=O)C1C[C@H]2CSC[C@@H](C1)C2=O ZINC000908212224 609647912 /nfs/dbraw/zinc/64/79/12/609647912.db2.gz SPSJIDHTORPPAI-WVMKXHBISA-N 0 0 341.429 0.735 10 0 ECAERN Cc1nc2ccnn2c(C)c1C(=O)N[C@@H]1C[C@@H](O)[C@@H]1n1cccn1 ZINC000909174525 609680576 /nfs/dbraw/zinc/68/05/76/609680576.db2.gz HWIJRWLWWUFCJZ-LALPHHSUSA-N 0 0 326.360 0.647 10 0 ECAERN Cn1nc(C(=O)N[C@@H]2C[C@H](O)[C@@H]2n2cccn2)cc1OC(F)F ZINC000909177626 609680797 /nfs/dbraw/zinc/68/07/97/609680797.db2.gz CNWVGAHOAXCQII-POZPLHJXSA-N 0 0 327.291 0.322 10 0 ECAERN Cn1nc(C(=O)N[C@@H]2C[C@@H](O)[C@@H]2n2cccn2)cc1OC(F)F ZINC000909177624 609680814 /nfs/dbraw/zinc/68/08/14/609680814.db2.gz CNWVGAHOAXCQII-BCMRRPTOSA-N 0 0 327.291 0.322 10 0 ECAERN O=C(N[C@@H]1C[C@@H](O)[C@H]1n1cccn1)[C@H]1CCO[C@@H]1c1cccnc1 ZINC000909181103 609681431 /nfs/dbraw/zinc/68/14/31/609681431.db2.gz NBDNPQKMRDUQQY-CQJMVSDSSA-N 0 0 328.372 0.846 10 0 ECAERN COCCCn1cnc2oc(C)c(C(=O)N3CCOCC3)c2c1=O ZINC000222778761 609704796 /nfs/dbraw/zinc/70/47/96/609704796.db2.gz XVEUOOHYBAULCB-UHFFFAOYSA-N 0 0 335.360 0.807 10 0 ECAERN CC(C)NC(=O)CCNC(=O)c1cnc(-n2cnnc2)c(Cl)c1 ZINC000223063780 609707205 /nfs/dbraw/zinc/70/72/05/609707205.db2.gz DMUKCNDJPYQNLT-UHFFFAOYSA-N 0 0 336.783 0.960 10 0 ECAERN Cc1ccc([C@@H]2[C@H](C(=O)NCC3(CO)CC3)OCC(=O)N2C)cc1 ZINC000223224969 609708893 /nfs/dbraw/zinc/70/88/93/609708893.db2.gz CHLSCUXKBLCTJE-HZPDHXFCSA-N 0 0 332.400 0.782 10 0 ECAERN CCOC(=O)CNC(=O)[C@H]1CCC(=O)N1Cc1ccc2c(c1)OCO2 ZINC000223371274 609709784 /nfs/dbraw/zinc/70/97/84/609709784.db2.gz URFSZSVFYJKXPZ-GFCCVEGCSA-N 0 0 348.355 0.586 10 0 ECAERN CC(C)NC(=O)CNC(=O)c1nn2c(c1Br)OCCC2 ZINC000223787955 609714569 /nfs/dbraw/zinc/71/45/69/609714569.db2.gz QXEMNYWIIKIXND-UHFFFAOYSA-N 0 0 345.197 0.683 10 0 ECAERN O=S(=O)(c1c(Cl)nc2ccccn21)N1CCOC[C@@H]1CO ZINC000168070092 609735849 /nfs/dbraw/zinc/73/58/49/609735849.db2.gz AMMQSNMSRXGPMN-VIFPVBQESA-N 0 0 331.781 0.370 10 0 ECAERN COC[C@H](C)C(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000171996574 609766676 /nfs/dbraw/zinc/76/66/76/609766676.db2.gz JLZPRSOMTXCUCA-VIFPVBQESA-N 0 0 328.381 0.650 10 0 ECAERN O=c1n(CN2CCC(Cn3cccn3)CC2)nnn1-c1ccccc1 ZINC000152750891 609878044 /nfs/dbraw/zinc/87/80/44/609878044.db2.gz JNTRIIFODVVHOT-UHFFFAOYSA-N 0 0 339.403 0.995 10 0 ECAERN O=c1c2ccccc2cnn1CN1CCO[C@@H](Cn2cccn2)C1 ZINC000152809481 609881597 /nfs/dbraw/zinc/88/15/97/609881597.db2.gz OHYVTHKYGHQDMT-OAHLLOKOSA-N 0 0 325.372 0.952 10 0 ECAERN CC(C)[C@H](C(=O)N1CCOC[C@H]1CO)N1Cc2ccccc2C1=O ZINC000912430132 609955636 /nfs/dbraw/zinc/95/56/36/609955636.db2.gz FIAFSJPPXUTFQD-GDBMZVCRSA-N 0 0 332.400 0.887 10 0 ECAERN COc1ccc(N2C[C@@H](C(=O)N3CCOC[C@@H]3CO)CC2=O)cc1 ZINC000912426240 609957988 /nfs/dbraw/zinc/95/79/88/609957988.db2.gz CJWNNDXIWPVWAM-JSGCOSHPSA-N 0 0 334.372 0.268 10 0 ECAERN CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@H](n2cc(C3CC3)nn2)C1 ZINC000912941599 610022842 /nfs/dbraw/zinc/02/28/42/610022842.db2.gz QJJJVROLCSVBDK-PWSUYJOCSA-N 0 0 341.437 0.257 10 0 ECAERN O=S1(=O)C[C@@H](O)[C@H](NCc2cc(Br)cs2)C1 ZINC000070559355 610369468 /nfs/dbraw/zinc/36/94/68/610369468.db2.gz BZKWTIYSIZMHHR-RKDXNWHRSA-N 0 0 326.237 0.758 10 0 ECAERN C[C@@H]1CN(CN2C[C@H](c3ccccc3F)CC2=O)C[C@H](C(N)=O)O1 ZINC000182698619 610439388 /nfs/dbraw/zinc/43/93/88/610439388.db2.gz QRUNJUIEYPIXJZ-LALPHHSUSA-N 0 0 335.379 0.674 10 0 ECAERN C[C@@H](C(=O)NCCc1ccnn1C)N1C(=O)c2ccccc2C1=O ZINC000185831076 610985817 /nfs/dbraw/zinc/98/58/17/610985817.db2.gz WGWVSYFKLMEUCQ-NSHDSACASA-N 0 0 326.356 0.764 10 0 ECAERN COC[C@]1(C)CC(=O)N(CN2CCO[C@H](Cn3cc(C)cn3)C2)C1 ZINC000245422097 612576874 /nfs/dbraw/zinc/57/68/74/612576874.db2.gz OVSOCSGDOABBAG-DOTOQJQBSA-N 0 0 336.436 0.735 10 0 ECAERN O=C1[C@H](N2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)CCN1C1CCOCC1 ZINC000328946194 752975257 /nfs/dbraw/zinc/97/52/57/752975257.db2.gz GKRXOPHKEURNTE-HZMVEIRTSA-N 0 0 338.448 0.628 10 0 ECAERN Cc1nnc([C@H]2CN(C(=O)c3ccnc4[nH]c(C)nc43)CCO2)[nH]1 ZINC000333262894 755306910 /nfs/dbraw/zinc/30/69/10/755306910.db2.gz MKOWXGJCPPUDQS-LLVKDONJSA-N 0 0 327.348 0.907 10 0 ECAERN Cc1nccn1C[C@@H]1CCCN1C(=O)CN1C(=O)NC(C)(C)C1=O ZINC000177213492 282211842 /nfs/dbraw/zinc/21/18/42/282211842.db2.gz XAINLJYBKDJDTN-LBPRGKRZSA-N 0 0 333.392 0.513 10 0 ECAERN CCc1n[nH]c(=O)c(CNC(=O)N2CC(NC(=O)C3CC3)C2)c1CC ZINC000187699620 529696206 /nfs/dbraw/zinc/69/62/06/529696206.db2.gz VKFJBGRXJXHANQ-UHFFFAOYSA-N 0 0 347.419 0.315 10 0 ECAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)N1CC(NC(=O)C2CC2)C1 ZINC000187511734 529750279 /nfs/dbraw/zinc/75/02/79/529750279.db2.gz ULLPAFDEAAWPMB-GFCCVEGCSA-N 0 0 332.408 0.595 10 0 ECAERN CN1CCO[C@H](C(=O)N2CCN(C[C@H](O)c3ccccc3)CC2)C1 ZINC000174651370 529787065 /nfs/dbraw/zinc/78/70/65/529787065.db2.gz BZZLGWYDWLJSSJ-IRXDYDNUSA-N 0 0 333.432 0.195 10 0 ECAERN CN(C)c1cccc(CNC(=O)N2CCO[C@@H](Cn3cccn3)C2)n1 ZINC000164300441 529790367 /nfs/dbraw/zinc/79/03/67/529790367.db2.gz PMNFAKUQVUEHDE-OAHLLOKOSA-N 0 0 344.419 0.955 10 0 ECAERN CN1CC[C@H](NC(=O)N2CCN(c3nc4ccccc4o3)CC2)C1=O ZINC000130064569 529805767 /nfs/dbraw/zinc/80/57/67/529805767.db2.gz MZJHUKXNZZENAZ-ZDUSSCGKSA-N 0 0 343.387 0.890 10 0 ECAERN CNC(=O)Cn1cc(NC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)cn1 ZINC000179458920 529876479 /nfs/dbraw/zinc/87/64/79/529876479.db2.gz JAUNBCLDJVTOED-MLGOLLRUSA-N 0 0 335.408 0.788 10 0 ECAERN Cc1c(S(=O)(=O)N[C@H](C)c2ccccc2)c(=O)n(C)c(=O)n1C ZINC000004337747 210174544 /nfs/dbraw/zinc/17/45/44/210174544.db2.gz GFUXTRKKEFRUFL-SNVBAGLBSA-N 0 0 337.401 0.432 10 0 ECAERN Cc1noc([C@H](C)N2CCN(C(=O)C(=O)Nc3cccnc3)CC2)n1 ZINC000177622547 231942753 /nfs/dbraw/zinc/94/27/53/231942753.db2.gz YFYQIOBVDISVSJ-NSHDSACASA-N 0 0 344.375 0.617 10 0 ECAERN CCCC(=O)N[C@H]1CCCN([C@@H](C)c2nc(N)nc(N(C)C)n2)C1 ZINC000101564239 219138265 /nfs/dbraw/zinc/13/82/65/219138265.db2.gz YZQYKJIKGKTCHZ-RYUDHWBXSA-N 0 0 335.456 0.962 10 0 ECAERN CCCC(=O)N[C@H]1CCCN(CC(=O)NC(=O)NCC(C)C)C1 ZINC000101565026 219139718 /nfs/dbraw/zinc/13/97/18/219139718.db2.gz MKMNAMXBWOTXKT-ZDUSSCGKSA-N 0 0 326.441 0.849 10 0 ECAERN O=C(OC[C@H]1O[C@@H]2[C@H](Oc3nc(=O)ccn32)[C@H]1O)c1ccccc1 ZINC000004012702 210100424 /nfs/dbraw/zinc/10/04/24/210100424.db2.gz UDIXPZFDRWDWAJ-YXCITZCRSA-N 0 0 330.296 0.120 10 0 ECAERN Cn1cc(S(=O)(=O)NCC(=O)N2CCCc3c(N)cccc32)cn1 ZINC000126886480 222764007 /nfs/dbraw/zinc/76/40/07/222764007.db2.gz RMBRIAREGCTSPI-UHFFFAOYSA-N 0 0 349.416 0.260 10 0 ECAERN O=C(Cn1c(=O)[nH]c2ccccc21)N1CCC[C@H](Cn2cncn2)C1 ZINC000127119148 222795357 /nfs/dbraw/zinc/79/53/57/222795357.db2.gz HCELPHWQXGYDLO-ZDUSSCGKSA-N 0 0 340.387 0.860 10 0 ECAERN CCN1C[C@@H](C(=O)N2CCC(N(C)c3cccnn3)CC2)CC1=O ZINC000105816279 219539045 /nfs/dbraw/zinc/53/90/45/219539045.db2.gz ZBSLWKSREZZFJJ-ZDUSSCGKSA-N 0 0 331.420 0.772 10 0 ECAERN Cc1cnn([C@H]2CCCN(C(=O)CCC(=O)N3CCOCC3)C2)c1 ZINC000105857728 219563637 /nfs/dbraw/zinc/56/36/37/219563637.db2.gz DSWZJBNALJHRRQ-HNNXBMFYSA-N 0 0 334.420 0.994 10 0 ECAERN CN1CCN(S(=O)(=O)c2cc(Br)ccc2N)CC1 ZINC000037928672 213174297 /nfs/dbraw/zinc/17/42/97/213174297.db2.gz KKVMLFUYAQGNJO-UHFFFAOYSA-N 0 0 334.239 0.967 10 0 ECAERN CNC(=O)[C@H](NC(=O)[C@@H](c1ccccc1)N1CCN(C)CC1)C(C)C ZINC000178862017 283435378 /nfs/dbraw/zinc/43/53/78/283435378.db2.gz ADUQOLGAJAQSNL-IAGOWNOFSA-N 0 0 346.475 0.862 10 0 ECAERN CS(=O)(=O)NCCN1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000107300318 219762863 /nfs/dbraw/zinc/76/28/63/219762863.db2.gz DPJNTWCJXXJMTQ-GFCCVEGCSA-N 0 0 327.454 0.691 10 0 ECAERN O=C(NCCNC(=O)N1CC(NC(=O)C2CC2)C1)c1ccccc1 ZINC000190129784 238240348 /nfs/dbraw/zinc/24/03/48/238240348.db2.gz AUTBABYGMGLDSV-UHFFFAOYSA-N 0 0 330.388 0.336 10 0 ECAERN Cc1cccc(C[C@H](CO)NC(=O)NC[C@H](C)N2CCOCC2)c1 ZINC000191939585 239394120 /nfs/dbraw/zinc/39/41/20/239394120.db2.gz FEBXIBWLDPXKID-DOTOQJQBSA-N 0 0 335.448 0.918 10 0 ECAERN CC[C@@H]1CN(C(=O)C(=O)Nc2cccc(C)n2)CCN1CCOC ZINC000193278270 240089053 /nfs/dbraw/zinc/08/90/53/240089053.db2.gz IFQRVQSRCIGNEF-CQSZACIVSA-N 0 0 334.420 0.898 10 0 ECAERN Cc1csc([C@@H]2CN(S(=O)(=O)c3cnn(C)c3)CCO2)n1 ZINC000193952958 240377411 /nfs/dbraw/zinc/37/74/11/240377411.db2.gz FLICZXAPQOETDM-NSHDSACASA-N 0 0 328.419 0.947 10 0 ECAERN O=C([C@@H]1Cc2ccccc2C(=O)O1)N1CC[C@H](N2CCOCC2)C1 ZINC000172762523 296080897 /nfs/dbraw/zinc/08/08/97/296080897.db2.gz MGVYGCLTOWKDEI-HOCLYGCPSA-N 0 0 330.384 0.701 10 0 ECAERN CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)N1CCNC(=O)C1(C)C)C(=O)C2 ZINC000109837653 219996970 /nfs/dbraw/zinc/99/69/70/219996970.db2.gz SCUGIJNQKRDSKM-ZBEGNZNMSA-N 0 0 342.461 0.922 10 0 ECAERN Cc1nc(CN2CCCN(C(=O)c3cccc(C(N)=O)c3)CC2)no1 ZINC000109923794 220003115 /nfs/dbraw/zinc/00/31/15/220003115.db2.gz BPOYFFKMAALBIU-UHFFFAOYSA-N 0 0 343.387 0.825 10 0 ECAERN CCCS(=O)(=O)N1CCCC[C@H]1C(=O)NCC[C@@H]1CCC(=O)N1 ZINC000242196964 243011513 /nfs/dbraw/zinc/01/15/13/243011513.db2.gz XGMNEUDBMPWARW-STQMWFEESA-N 0 0 345.465 0.366 10 0 ECAERN CCCS(=O)(=O)N1CCCC[C@H]1C(=O)NCC[C@H]1CCC(=O)N1 ZINC000242196962 243012741 /nfs/dbraw/zinc/01/27/41/243012741.db2.gz XGMNEUDBMPWARW-OLZOCXBDSA-N 0 0 345.465 0.366 10 0 ECAERN C[N@@H+](CC(=O)[O-])C[C@@H]1CN(C(=O)[C@@H]2COc3ccccc3C2)CCO1 ZINC000262867899 245222484 /nfs/dbraw/zinc/22/24/84/245222484.db2.gz CHSCGAHRXOIQCR-LSDHHAIUSA-N 0 0 348.399 0.482 10 0 ECAERN CCOCCOCC(=O)N1CCO[C@H](Cn2nc(C)cc2C)C1 ZINC000110901200 220077301 /nfs/dbraw/zinc/07/73/01/220077301.db2.gz SSXCHMAWHVGIDV-HNNXBMFYSA-N 0 0 325.409 0.780 10 0 ECAERN O=C([C@H]1Cc2ccccc2C(=O)O1)N1CCO[C@H](Cn2cccn2)C1 ZINC000111083852 220097692 /nfs/dbraw/zinc/09/76/92/220097692.db2.gz MXNQPZPANQAQEJ-GOEBONIOSA-N 0 0 341.367 0.892 10 0 ECAERN Cc1cc(C)n(C[C@H]2CN(CC(=O)NCc3cccnc3)CCO2)n1 ZINC000111229370 220117273 /nfs/dbraw/zinc/11/72/73/220117273.db2.gz HQBIUYFYZYILOR-QGZVFWFLSA-N 0 0 343.431 0.912 10 0 ECAERN COCCCN(Cc1nnnn1C(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000111233603 220119482 /nfs/dbraw/zinc/11/94/82/220119482.db2.gz AVAXGOLUKXNFJT-GFCCVEGCSA-N 0 0 331.442 0.280 10 0 ECAERN CC(C)n1nnnc1CN1CCC(CC(=O)N2CCN(C)CC2)CC1 ZINC000111241690 220121859 /nfs/dbraw/zinc/12/18/59/220121859.db2.gz NNVQPKKLIKQOMB-UHFFFAOYSA-N 0 0 349.483 0.630 10 0 ECAERN Cc1cc(C)n(C[C@H]2CN(S(=O)(=O)c3cnn(C)c3)CCO2)n1 ZINC000111345183 220141937 /nfs/dbraw/zinc/14/19/37/220141937.db2.gz GYYFOARAIBMENN-CYBMUJFWSA-N 0 0 339.421 0.323 10 0 ECAERN Cc1cnn(C[C@@H]2CN(C(=O)CCNC(=O)c3ccco3)CCO2)c1 ZINC000112067684 220237274 /nfs/dbraw/zinc/23/72/74/220237274.db2.gz YCFGTIRDMKGZNP-AWEZNQCLSA-N 0 0 346.387 0.832 10 0 ECAERN Cc1nc(C)n(C[C@H](C)C(=O)N2CCC(NS(C)(=O)=O)CC2)n1 ZINC000091624748 218033157 /nfs/dbraw/zinc/03/31/57/218033157.db2.gz OEDKACWMUDMVBX-JTQLQIEISA-N 0 0 343.453 0.071 10 0 ECAERN COc1cccc(OC2CN(C(=O)C3CCN(CC(N)=O)CC3)C2)c1 ZINC000091593594 218028540 /nfs/dbraw/zinc/02/85/40/218028540.db2.gz RGTXRRCGYLSFST-UHFFFAOYSA-N 0 0 347.415 0.482 10 0 ECAERN Cc1c(C(=O)N2CCOC[C@@H]2C(N)=O)cnn1Cc1ccccc1 ZINC000091785602 218065739 /nfs/dbraw/zinc/06/57/39/218065739.db2.gz ODTDNRXLRIWDEZ-OAHLLOKOSA-N 0 0 328.372 0.566 10 0 ECAERN CCn1ccc(CN2CCC3(CCC(=O)N(CC(N)=O)C3)CC2)n1 ZINC000091893489 218084688 /nfs/dbraw/zinc/08/46/88/218084688.db2.gz MQJRHFRECWPOQE-UHFFFAOYSA-N 0 0 333.436 0.593 10 0 ECAERN NC(=O)[C@H]1COCCN1CC(=O)NCCc1nc2ccccc2s1 ZINC000092229960 218127493 /nfs/dbraw/zinc/12/74/93/218127493.db2.gz LFERWBJGKGFFBU-GFCCVEGCSA-N 0 0 348.428 0.141 10 0 ECAERN O=C(CN1CC(=O)N2CCC[C@H]2C1=O)NCCCc1ccccc1 ZINC000009406114 211079020 /nfs/dbraw/zinc/07/90/20/211079020.db2.gz MKQIAVZDOHOASJ-HNNXBMFYSA-N 0 0 329.400 0.569 10 0 ECAERN COCCN1CCN(C(=O)[C@@H]2CC(c3cccnc3)=NO2)C[C@@H]1C ZINC000191888647 532955264 /nfs/dbraw/zinc/95/52/64/532955264.db2.gz NMGZTEJYFPBMJN-BBRMVZONSA-N 0 0 332.404 0.754 10 0 ECAERN CNC(=O)[C@H](NC(=O)N[C@@H](C)C(=O)NCc1ccccc1)C(C)C ZINC000178398993 207685054 /nfs/dbraw/zinc/68/50/54/207685054.db2.gz HKGUKXIEVOIVKF-GXTWGEPZSA-N 0 0 334.420 0.761 10 0 ECAERN CNc1cc(N2CCC[C@@H]2CNC(=O)NCCn2ccnc2)ncn1 ZINC000174000959 533047833 /nfs/dbraw/zinc/04/78/33/533047833.db2.gz VTEVRCXIKUFHLY-CYBMUJFWSA-N 0 0 344.423 0.683 10 0 ECAERN CNc1cc(N2CCC[C@@H]2CNC(=O)C2CN(C(C)=O)C2)ncn1 ZINC000191880171 533048190 /nfs/dbraw/zinc/04/81/90/533048190.db2.gz JCGYCEQMQULISK-CYBMUJFWSA-N 0 0 332.408 0.082 10 0 ECAERN O=C(CCn1cnc2sccc2c1=O)N[C@@H]1CCc2ncnn2C1 ZINC000112651419 220364486 /nfs/dbraw/zinc/36/44/86/220364486.db2.gz KQCLXGFEQUGGNL-SNVBAGLBSA-N 0 0 344.400 0.571 10 0 ECAERN O=C(CNC(=O)c1cc(F)cc(F)c1)N[C@H]1CCc2ncnn2C1 ZINC000112725249 220387478 /nfs/dbraw/zinc/38/74/78/220387478.db2.gz ZZGVEMIFAMZXHN-LBPRGKRZSA-N 0 0 335.314 0.417 10 0 ECAERN CC(C)c1nc2c(n1C)CCN(C(=O)[C@H](C)NS(C)(=O)=O)C2 ZINC000112725598 220388764 /nfs/dbraw/zinc/38/87/64/220388764.db2.gz WEVGBKMHJBCTOP-JTQLQIEISA-N 0 0 328.438 0.366 10 0 ECAERN CN(C)C(=O)[C@H]1CCCN1C(=O)C(=O)NCCCc1ccccc1 ZINC000112857440 220410027 /nfs/dbraw/zinc/41/00/27/220410027.db2.gz DXLUGRQUAGCTGD-OAHLLOKOSA-N 0 0 331.416 0.815 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)c1ccccc1-n1cnnn1)CC2 ZINC000114867340 220771180 /nfs/dbraw/zinc/77/11/80/220771180.db2.gz JDZGYJIJMSSSIV-LLVKDONJSA-N 0 0 338.375 0.561 10 0 ECAERN O=C(CCOc1ccccc1F)NC[C@H](O)CN1CCOCC1 ZINC000154122361 224207044 /nfs/dbraw/zinc/20/70/44/224207044.db2.gz BGQRYACNCGBTRI-ZDUSSCGKSA-N 0 0 326.368 0.404 10 0 ECAERN Cc1cccc(OCCCC(=O)NC[C@@H](O)CN2CCOCC2)c1 ZINC000154129922 224208187 /nfs/dbraw/zinc/20/81/87/224208187.db2.gz DIJCDVZVEAYJLG-MRXNPFEDSA-N 0 0 336.432 0.963 10 0 ECAERN Cc1ccc(C(=O)CCC(=O)NC[C@@H](O)CN2CCOCC2)cc1 ZINC000154129017 224208255 /nfs/dbraw/zinc/20/82/55/224208255.db2.gz QZEDLZMFAZXVIX-MRXNPFEDSA-N 0 0 334.416 0.767 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)N[C@@H]1CCc3nc(C)nn3C1)CC2 ZINC000114955177 220793078 /nfs/dbraw/zinc/79/30/78/220793078.db2.gz BYEPJKYNNUZNBY-NEPJUHHUSA-N 0 0 344.423 0.369 10 0 ECAERN CCOCCN1CCN(C(=O)CS(=O)(=O)CC(C)C)C[C@@H]1C ZINC000117274617 221040192 /nfs/dbraw/zinc/04/01/92/221040192.db2.gz YEUTVWGVUSXGPM-AWEZNQCLSA-N 0 0 334.482 0.626 10 0 ECAERN Cc1cnn(CCNC(=O)CCCS(=O)(=O)N2CCCC2)c1 ZINC000117810061 221092020 /nfs/dbraw/zinc/09/20/20/221092020.db2.gz PELLMQRPHNBBFV-UHFFFAOYSA-N 0 0 328.438 0.514 10 0 ECAERN Cc1cnn(CCNC(=O)Cn2nnc(-c3ccc(C)cc3)n2)c1 ZINC000117812394 221092107 /nfs/dbraw/zinc/09/21/07/221092107.db2.gz ZXSBBNJJPSLYJB-UHFFFAOYSA-N 0 0 325.376 0.970 10 0 ECAERN CN1CCO[C@H](CNC(=O)NC[C@](C)(O)c2ccc(F)cc2)C1 ZINC000118979115 221216083 /nfs/dbraw/zinc/21/60/83/221216083.db2.gz JBZJEMHPRACGHN-ZBFHGGJFSA-N 0 0 325.384 0.663 10 0 ECAERN CCCS(=O)(=O)N1C[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC000249684216 257661187 /nfs/dbraw/zinc/66/11/87/257661187.db2.gz DNTNWUCNPMPPIH-CVEARBPZSA-N 0 0 339.461 0.954 10 0 ECAERN COCCCCNC(=O)N[C@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000175127243 533262526 /nfs/dbraw/zinc/26/25/26/533262526.db2.gz YRVODYGILCWPHF-ZDUSSCGKSA-N 0 0 337.424 0.950 10 0 ECAERN C[C@@H](NC(=O)c1[nH]c(=O)[nH]c(=O)c1N)c1ccc(F)cc1Cl ZINC000073820041 296615694 /nfs/dbraw/zinc/61/56/94/296615694.db2.gz KPXGIZBRYMNOAE-RXMQYKEDSA-N 0 0 326.715 0.929 10 0 ECAERN CCCC[C@@H](NC(=O)NCC)C(=O)N1CCC[C@H](NC(C)=O)C1 ZINC000137324436 296680569 /nfs/dbraw/zinc/68/05/69/296680569.db2.gz LAWOBGWBIWJKSX-UONOGXRCSA-N 0 0 326.441 0.991 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)[C@H](C)Oc2cccc(CO)c2)CC1 ZINC000163008163 296717806 /nfs/dbraw/zinc/71/78/06/296717806.db2.gz ULPQPBZXRRPWKU-HOCLYGCPSA-N 0 0 336.432 0.861 10 0 ECAERN C[C@H]1CC[C@@H](C(=O)NCCS(=O)(=O)NCc2ccccc2)O1 ZINC000131745115 164697155 /nfs/dbraw/zinc/69/71/55/164697155.db2.gz PUESPRALDQMCLN-JSGCOSHPSA-N 0 0 326.418 0.790 10 0 ECAERN O=C(Nc1ccc(F)c(F)c1)C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000174009641 164865871 /nfs/dbraw/zinc/86/58/71/164865871.db2.gz FSDQCTNYEMPQEA-LBPRGKRZSA-N 0 0 339.342 0.836 10 0 ECAERN CC(C)c1nnc2n1C[C@H](NC(=O)NCCCOCCO)CC2 ZINC000181753599 164947413 /nfs/dbraw/zinc/94/74/13/164947413.db2.gz GTFLVJXKEGMMRW-GFCCVEGCSA-N 0 0 325.413 0.415 10 0 ECAERN COCCCN(CCO)C(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000187361907 164990308 /nfs/dbraw/zinc/99/03/08/164990308.db2.gz LOQKFIDAFNYBRY-CYBMUJFWSA-N 0 0 339.440 0.757 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)N1CCCN(CC)C(=O)C1)CC2 ZINC000189649094 165012842 /nfs/dbraw/zinc/01/28/42/165012842.db2.gz NULMBCHAZSJSIK-LBPRGKRZSA-N 0 0 334.424 0.419 10 0 ECAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N[C@H](C)COc1ccc(F)cc1F ZINC000189886516 165016733 /nfs/dbraw/zinc/01/67/33/165016733.db2.gz URBBOLFHLQABME-GAJTVXKRSA-N 0 0 342.342 0.830 10 0 ECAERN O=C(NC1CN(C(=O)NC[C@@H]2CCN(CC(F)(F)F)C2)C1)C1CC1 ZINC000190271296 165019283 /nfs/dbraw/zinc/01/92/83/165019283.db2.gz NCMJTPRLPDAWGL-JTQLQIEISA-N 0 0 348.369 0.791 10 0 ECAERN CN(CCCNC(=O)N1CC(NC(=O)C2CC2)C1)CC(F)(F)F ZINC000190281919 165019656 /nfs/dbraw/zinc/01/96/56/165019656.db2.gz CPRJPLUFONKUJQ-UHFFFAOYSA-N 0 0 336.358 0.791 10 0 ECAERN Cc1nc(CN2CCCN(S(=O)(=O)[C@@H]3CCO[C@@H]3C)CC2)no1 ZINC000190170326 165019724 /nfs/dbraw/zinc/01/97/24/165019724.db2.gz PZSHFAZHXJLWHC-DGCLKSJQSA-N 0 0 344.437 0.393 10 0 ECAERN C[C@@H]1C(=O)NCCCN1C(=O)C(=O)Nc1ccc(-n2cccn2)cc1 ZINC000190668560 165024340 /nfs/dbraw/zinc/02/43/40/165024340.db2.gz ZNJXNWXUQMTNFD-GFCCVEGCSA-N 0 0 341.371 0.548 10 0 ECAERN CCNC(=O)c1ccc(CNC(=O)N2CCCNC(=O)[C@H]2C)cc1 ZINC000191235817 165031511 /nfs/dbraw/zinc/03/15/11/165031511.db2.gz PRAGJEOWRHGWRA-GFCCVEGCSA-N 0 0 332.404 0.856 10 0 ECAERN C[C@@H]1C(=O)NCCCN1C(=O)NCC[S@@](=O)Cc1ccccc1 ZINC000191402577 165032839 /nfs/dbraw/zinc/03/28/39/165032839.db2.gz MFDRIHZHPYHBMH-JCQPUDPBSA-N 0 0 337.445 0.855 10 0 ECAERN CC1=C(C(=O)N2CC(NC(=O)C3CCC3)C2)[C@@H](C)n2ncnc2N1C ZINC000192602851 165043968 /nfs/dbraw/zinc/04/39/68/165043968.db2.gz VRRVFSKFODDNPP-LLVKDONJSA-N 0 0 344.419 0.690 10 0 ECAERN CCc1nc(NC(=O)C(=O)N[C@H]2CCc3ncnn3C2)sc1C ZINC000193104691 165053507 /nfs/dbraw/zinc/05/35/07/165053507.db2.gz XUVINBKWGSAAKV-VIFPVBQESA-N 0 0 334.405 0.675 10 0 ECAERN CCn1c2ccccc2n(CC(=O)NC[C@H]2CN(C)CCO2)c1=O ZINC000194624255 165068067 /nfs/dbraw/zinc/06/80/67/165068067.db2.gz SHIOBKWXTYZGKE-ZDUSSCGKSA-N 0 0 332.404 0.270 10 0 ECAERN Cc1ccc(N2C[C@@H](C(=O)NC[C@H]3CN(C)CCO3)CC2=O)cc1 ZINC000194638403 165068827 /nfs/dbraw/zinc/06/88/27/165068827.db2.gz HEZSRDBUOYUVCF-HOCLYGCPSA-N 0 0 331.416 0.795 10 0 ECAERN O=C(c1cccc(F)c1)N1CCCN(C(=O)[C@@H]2CNC(=O)C2)CC1 ZINC000194865996 165071970 /nfs/dbraw/zinc/07/19/70/165071970.db2.gz UAIYCOLUVZLGEH-ZDUSSCGKSA-N 0 0 333.363 0.636 10 0 ECAERN O=C(CNC1=NS(=O)(=O)c2ccccc21)N1CCN2CCC[C@H]2C1 ZINC000195310010 165079716 /nfs/dbraw/zinc/07/97/16/165079716.db2.gz GECLNHGPEBVAEW-LBPRGKRZSA-N 0 0 348.428 0.032 10 0 ECAERN CC[C@H]1CN(C(=O)N[C@H]2CCc3ncnn3C2)CCN1CC(F)F ZINC000245747617 165114073 /nfs/dbraw/zinc/11/40/73/165114073.db2.gz NGHVIRKPZFWSBJ-RYUDHWBXSA-N 0 0 342.394 0.964 10 0 ECAERN NC(=O)[C@@H]1COCCN1C[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000245687505 165114449 /nfs/dbraw/zinc/11/44/49/165114449.db2.gz ALJCRJJTHNUZHV-YPMHNXCESA-N 0 0 348.321 0.631 10 0 ECAERN C[C@H](COCc1ccccc1)NC(=O)[C@@H](NC(=O)C1CC1)[C@H](C)O ZINC000245769083 165116320 /nfs/dbraw/zinc/11/63/20/165116320.db2.gz WYWNZDBDKZLOIU-WWGRRREGSA-N 0 0 334.416 0.984 10 0 ECAERN C[C@H](C(=O)NC1CC1)N1CCN(C(=O)N[C@@H](C)[C@@H]2CCCO2)CC1 ZINC000246113037 165122506 /nfs/dbraw/zinc/12/25/06/165122506.db2.gz JRXPALSSBCRTSJ-GUTXKFCHSA-N 0 0 338.452 0.548 10 0 ECAERN C[C@H](O)CN1CCN(C(=O)Nc2cccnc2-n2cncn2)C[C@@H]1C ZINC000246087345 165122981 /nfs/dbraw/zinc/12/29/81/165122981.db2.gz WDISQEOYFYRIIA-STQMWFEESA-N 0 0 345.407 0.581 10 0 ECAERN CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)N2CC[C@H](c3cnn(C)c3)C2)O1 ZINC000246089046 165123306 /nfs/dbraw/zinc/12/33/06/165123306.db2.gz NNJBAYTXRTVNDP-CFVMTHIKSA-N 0 0 349.435 0.555 10 0 ECAERN O=C1C[C@H](N2CC[C@@H](N3CCOCC3)C2)C(=O)N1c1ccccc1F ZINC000247153390 165155386 /nfs/dbraw/zinc/15/53/86/165155386.db2.gz QADDVBKXPDKLGR-CJNGLKHVSA-N 0 0 347.390 0.864 10 0 ECAERN CCOCCN1CCN(C(=O)[C@H]2CCCN(C(C)=O)C2)C[C@@H]1C ZINC000247252558 165157706 /nfs/dbraw/zinc/15/77/06/165157706.db2.gz XWTHRCIAQUHPMA-HOCLYGCPSA-N 0 0 325.453 0.814 10 0 ECAERN CCOCCN1CCN([C@H]2CCCN(c3ccn(C)n3)C2=O)C[C@H]1C ZINC000247705754 165168821 /nfs/dbraw/zinc/16/88/21/165168821.db2.gz YUXJSXDSMPLEPH-CVEARBPZSA-N 0 0 349.479 0.958 10 0 ECAERN C[C@@H]1CN(S(=O)(=O)c2ccc(N)cc2)C[C@H]1N1CCOCC1 ZINC000248564206 165177961 /nfs/dbraw/zinc/17/79/61/165177961.db2.gz BJLGKFCMEGKQIJ-IUODEOHRSA-N 0 0 325.434 0.610 10 0 ECAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)N[C@H](C)C[S@@](C)=O)CCO2)n1 ZINC000248491247 165179016 /nfs/dbraw/zinc/17/90/16/165179016.db2.gz NUKKWPFHGIZCKY-VFDKELDYSA-N 0 0 342.465 0.677 10 0 ECAERN NC(=O)[C@H](c1ccc(Br)cc1)N1C[C@@H](O)C[C@@H]1CO ZINC000249292261 165196069 /nfs/dbraw/zinc/19/60/69/165196069.db2.gz LADJQRSWBMORKY-WOPDTQHZSA-N 0 0 329.194 0.403 10 0 ECAERN CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1cnc(N(C)C)nc1 ZINC000249194050 165196172 /nfs/dbraw/zinc/19/61/72/165196172.db2.gz PUIUVPMHICPTOX-KBPBESRZSA-N 0 0 346.435 0.566 10 0 ECAERN C[C@H](CS(C)(=O)=O)C(=O)N1C[C@@H](CO)[C@@H](c2ccsc2)C1 ZINC000249481414 165199293 /nfs/dbraw/zinc/19/92/93/165199293.db2.gz BLWZOECNSANJHK-KGYLQXTDSA-N 0 0 331.459 0.963 10 0 ECAERN NCc1nc(CN(CCO)Cc2cnn(Cc3ccccc3)c2)no1 ZINC000261858576 165254043 /nfs/dbraw/zinc/25/40/43/165254043.db2.gz WDJUARLIJYWFCR-UHFFFAOYSA-N 0 0 342.403 0.768 10 0 ECAERN C[C@H]1OCCN[C@@H]1C(=O)Nc1ccc(-n2ccc(C(N)=O)n2)cc1 ZINC000261959358 165269203 /nfs/dbraw/zinc/26/92/03/165269203.db2.gz PJMKIKPRLVFOLB-YGRLFVJLSA-N 0 0 329.360 0.287 10 0 ECAERN Cc1ccc(OCC(=O)N2CCN(Cc3noc(CN)n3)CC2)cc1 ZINC000262277429 165319828 /nfs/dbraw/zinc/31/98/28/165319828.db2.gz UCHBNJHFGOAPMK-UHFFFAOYSA-N 0 0 345.403 0.560 10 0 ECAERN CCC[C@@H]([NH2+][C@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1)C(=O)[O-] ZINC000262298967 165325855 /nfs/dbraw/zinc/32/58/55/165325855.db2.gz PRPHZNYKEJAJQL-BXKDBHETSA-N 0 0 343.405 0.504 10 0 ECAERN C[C@H]1OCCN[C@@H]1C(=O)NCC1CCN(C(=O)C(F)(F)F)CC1 ZINC000262368375 165338922 /nfs/dbraw/zinc/33/89/22/165338922.db2.gz VXLHQXUDZZYERM-KOLCDFICSA-N 0 0 337.342 0.280 10 0 ECAERN CN[C@H](C(=O)NCCN1C(=O)c2ccccc2C1=O)c1cnn(C)c1 ZINC000262514124 165357911 /nfs/dbraw/zinc/35/79/11/165357911.db2.gz JZFMWCCRVQXVPC-AWEZNQCLSA-N 0 0 341.371 0.093 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)c2cccc(-n3cnnn3)c2)C1 ZINC000262716660 165377556 /nfs/dbraw/zinc/37/75/56/165377556.db2.gz NSMMTIPLGVOMLY-UHFFFAOYSA-N 0 0 344.375 0.330 10 0 ECAERN C[N@@H+](CC(=O)[O-])C[C@@H]1CN(C(=O)c2ccc(F)cc2F)CCO1 ZINC000262874344 165397281 /nfs/dbraw/zinc/39/72/81/165397281.db2.gz DILCHDHBWYEACJ-LLVKDONJSA-N 0 0 328.315 0.822 10 0 ECAERN Nc1ccc2c(ncnc2NCCCN2CCS(=O)(=O)CC2)n1 ZINC000302003132 296893973 /nfs/dbraw/zinc/89/39/73/296893973.db2.gz JQJPIXVBGSSVBU-UHFFFAOYSA-N 0 0 336.421 0.139 10 0 ECAERN Cc1cc(C)n(C[C@H]2CN(C(=O)C(=O)Nc3cnn(C)c3)CCO2)n1 ZINC000158379633 225001985 /nfs/dbraw/zinc/00/19/85/225001985.db2.gz BJVORBMSIZYLRG-CQSZACIVSA-N 0 0 346.391 0.100 10 0 ECAERN CN(C(=O)N[C@@H]1CCN(C)C1=O)[C@@H]1CCCN(c2cccnn2)C1 ZINC000163854195 226023444 /nfs/dbraw/zinc/02/34/44/226023444.db2.gz YVFNROIWXUPLGJ-CHWSQXEVSA-N 0 0 332.408 0.318 10 0 ECAERN O=C(CCN1CCCS1(=O)=O)N1CCC(Cn2cccn2)CC1 ZINC000172395214 227671984 /nfs/dbraw/zinc/67/19/84/227671984.db2.gz IBMFJLZPBKCVJX-UHFFFAOYSA-N 0 0 340.449 0.547 10 0 ECAERN CN(C(=O)NCCNC(=O)C1CC1)[C@H]1CCCN(c2cccnn2)C1 ZINC000172436590 227697618 /nfs/dbraw/zinc/69/76/18/227697618.db2.gz MIKCASVLJNUMAS-AWEZNQCLSA-N 0 0 346.435 0.613 10 0 ECAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1cccc(OCC(N)=O)c1 ZINC000088196537 263144276 /nfs/dbraw/zinc/14/42/76/263144276.db2.gz UWOJRNNSFWGFOP-ZDUSSCGKSA-N 0 0 343.387 0.970 10 0 ECAERN CCOCCN1CCN(C(=O)C(=O)Nc2nocc2C)C[C@@H]1CC ZINC000119134564 263145900 /nfs/dbraw/zinc/14/59/00/263145900.db2.gz RFYXIUVGJZAFDE-ZDUSSCGKSA-N 0 0 338.408 0.881 10 0 ECAERN CC[C@@](C)(O)CNC(=O)NC[C@H]1CCCN1c1cc(NC)ncn1 ZINC000173419244 263148697 /nfs/dbraw/zinc/14/86/97/263148697.db2.gz SJVHXOUBJGLMMW-MLGOLLRUSA-N 0 0 336.440 0.947 10 0 ECAERN CCc1nnc([C@H]2CN(C(=O)[C@H](C)NC(=O)c3ccoc3)CCO2)[nH]1 ZINC000173581336 263149034 /nfs/dbraw/zinc/14/90/34/263149034.db2.gz RNCJFDHKVNVPBA-CMPLNLGQSA-N 0 0 347.375 0.679 10 0 ECAERN CC(=O)N[C@H](CC(=O)N1CC(NC(C)=O)C1)c1c(F)cccc1F ZINC000191486010 263165305 /nfs/dbraw/zinc/16/53/05/263165305.db2.gz DBKWBFDMNWWMAZ-CQSZACIVSA-N 0 0 339.342 0.879 10 0 ECAERN COCCN1CCN(C(=O)[C@@H](C)NC(=O)Nc2ccccc2)CC1 ZINC000193170115 263166487 /nfs/dbraw/zinc/16/64/87/263166487.db2.gz KSPKJVAPMYUCMJ-CQSZACIVSA-N 0 0 334.420 0.987 10 0 ECAERN O=C(NCCS(=O)(=O)c1ccc(Cl)cc1)[C@H]1CNC(=O)C1 ZINC000194878103 263170100 /nfs/dbraw/zinc/17/01/00/263170100.db2.gz ZVENYQQCVPYERR-SECBINFHSA-N 0 0 330.793 0.366 10 0 ECAERN C[C@@H](NC(=O)c1ccco1)C(=O)N1CCN(c2cccnn2)CC1 ZINC000195038258 263170108 /nfs/dbraw/zinc/17/01/08/263170108.db2.gz UNFLUEPMNHUTBL-GFCCVEGCSA-N 0 0 329.360 0.537 10 0 ECAERN CCOc1ccnc(N2CCN(c3ncnc4c3cnn4C)CC2)n1 ZINC000171544983 273710145 /nfs/dbraw/zinc/71/01/45/273710145.db2.gz AJAMUWJIXBYZTQ-UHFFFAOYSA-N 0 0 340.391 0.879 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)N2CC[C@H](C(=O)OC)[C@@H]2C)C1 ZINC000263510966 276314793 /nfs/dbraw/zinc/31/47/93/276314793.db2.gz YSVMKIPJGJYVPT-WTIISPKJSA-N 0 0 341.408 0.517 10 0 ECAERN CCS(=O)(=O)c1cccc(C(=O)N2CC(NC(=O)C3CC3)C2)c1 ZINC000189438709 437599849 /nfs/dbraw/zinc/59/98/49/437599849.db2.gz VQUZNIYSZDFVAK-UHFFFAOYSA-N 0 0 336.413 0.831 10 0 ECAERN CSCCNC(=O)C[C@@H]1C(=O)NCCN1CCc1ccccc1 ZINC000015067918 278130639 /nfs/dbraw/zinc/13/06/39/278130639.db2.gz GLOWLPCDUAATPL-OAHLLOKOSA-N 0 0 335.473 0.899 10 0 ECAERN CCc1onc(C)c1NC(=O)C(=O)N1CCN(C[C@@H](O)CC)CC1 ZINC000189474017 437602898 /nfs/dbraw/zinc/60/28/98/437602898.db2.gz CBPKWHQGSVBPMY-LBPRGKRZSA-N 0 0 338.408 0.399 10 0 ECAERN COCc1noc(CN2CCN(Cc3nnc(C(C)C)n3C)CC2)n1 ZINC000189636510 437606484 /nfs/dbraw/zinc/60/64/84/437606484.db2.gz NWPZNYVGYPJCDN-UHFFFAOYSA-N 0 0 349.439 0.786 10 0 ECAERN CC1(C)O[C@H]2[C@@H](CO)O[C@@H](n3cnc4c3NC(C)(C)NC4=O)[C@H]2O1 ZINC000103557289 281420195 /nfs/dbraw/zinc/42/01/95/281420195.db2.gz DAXMFWLPRKEFFI-ZRPKBAQZSA-N 0 0 338.364 0.184 10 0 in-vitro ECAERN Cn1c(=O)c2ccc(C(=O)N3CC[C@@H]([NH+](C)C)C3)cc2[n-]c1=S ZINC000170868025 289316871 /nfs/dbraw/zinc/31/68/71/289316871.db2.gz FJVILMKPZIRKLL-LLVKDONJSA-N 0 0 332.429 0.998 10 0 ECAERN O=C(NC[C@@H](O)C1CCOCC1)c1cccc(C(=O)N2CCCC2)n1 ZINC000333203133 297117897 /nfs/dbraw/zinc/11/78/97/297117897.db2.gz ZZDGJMQGRPGAFV-MRXNPFEDSA-N 0 0 347.415 0.835 10 0 ECAERN CN1CCC[C@H]1C(=O)N1CCNC(=O)[C@@H]1Cc1nc2ccccc2o1 ZINC000333233760 297119973 /nfs/dbraw/zinc/11/99/73/297119973.db2.gz HEPFSLOYAYWZCV-KBPBESRZSA-N 0 0 342.399 0.792 10 0 ECAERN Cn1cc([C@@H]2OCC[C@H]2NC(=O)N2CCC[C@](F)(CO)C2)cn1 ZINC000333432600 297133390 /nfs/dbraw/zinc/13/33/90/297133390.db2.gz UTNLHNPKJWLMCZ-VNHYZAJKSA-N 0 0 326.372 0.756 10 0 ECAERN CC(C)[C@H]1N(C(=O)NCCC(=O)N2CCOCC2)C[C@@]12CCCO2 ZINC000333962212 297157378 /nfs/dbraw/zinc/15/73/78/297157378.db2.gz MTKCTVHKJSESIO-WBVHZDCISA-N 0 0 339.436 0.834 10 0 ECAERN CN1C(=O)c2ccc(S(=O)(=O)N3C[C@@H](F)C[C@H]3CO)cc2C1=O ZINC000364172322 300331893 /nfs/dbraw/zinc/33/18/93/300331893.db2.gz QDIVRLFUIIUWNV-IUCAKERBSA-N 0 0 342.348 0.006 10 0 ECAERN O=C(CN1CC1)NCCCCCCCCCCNC(=O)CN1CC1 ZINC000005134132 435983528 /nfs/dbraw/zinc/98/35/28/435983528.db2.gz RPCNDXJKILMBFS-UHFFFAOYSA-N 0 0 338.496 0.971 10 0 ECAERN C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)NC[C@H]1CCC[C@H]1O)C2=O ZINC000369709446 300763166 /nfs/dbraw/zinc/76/31/66/300763166.db2.gz QUFBVBCTAIOZHR-ZFRZLUBXSA-N 0 0 337.420 0.764 10 0 ECAERN CCN1C(=O)CC[C@H](C(=O)N2CC[C@@](C)(O)C2)[C@H]1c1cnn(C)c1 ZINC000370260185 300810513 /nfs/dbraw/zinc/81/05/13/300810513.db2.gz GIIKFEBGJOFQAA-YSVLISHTSA-N 0 0 334.420 0.703 10 0 ECAERN C[C@@H]1C(=O)NCCCN1C(=O)c1ccc([C@@]2(C)NC(=O)NC2=O)cc1 ZINC000373763419 301080523 /nfs/dbraw/zinc/08/05/23/301080523.db2.gz PJHUELOEJUICHH-BMLIUANNSA-N 0 0 344.371 0.092 10 0 ECAERN C[C@H]1C[C@H]1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F ZINC000075527146 436164845 /nfs/dbraw/zinc/16/48/45/436164845.db2.gz ADJNXCMXBCSFHF-IINYFYTJSA-N 0 0 342.392 0.985 10 0 ECAERN CCCCS(=O)(=O)N1CCC[C@H]1C(=O)N1CCCNC(=O)[C@@H]1C ZINC000375462654 301176505 /nfs/dbraw/zinc/17/65/05/301176505.db2.gz QUAQDJPRQQLBGQ-STQMWFEESA-N 0 0 345.465 0.318 10 0 ECAERN CNS(=O)(=O)N1CCC2(C[C@@H]2N(C)Cc2nccs2)CC1 ZINC000375691396 301198687 /nfs/dbraw/zinc/19/86/87/301198687.db2.gz TZPYUZBUQIUFDX-NSHDSACASA-N 0 0 330.479 0.894 10 0 ECAERN NC(=O)[C@@]1(O)CCCN(C(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)C1 ZINC000375736160 301204039 /nfs/dbraw/zinc/20/40/39/301204039.db2.gz XUDABRFDNHZFDM-MEDUHNTESA-N 0 0 335.335 0.090 10 0 ECAERN C[C@@H]1COC[C@@H](C)N1CC(=O)N(CCC(N)=O)Cc1ccccc1 ZINC000077366304 436233414 /nfs/dbraw/zinc/23/34/14/436233414.db2.gz VSJVRURSUWZNSK-HUUCEWRRSA-N 0 0 333.432 1.000 10 0 ECAERN C[C@H](NC(=O)[C@@H]([NH3+])Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000028771872 436191165 /nfs/dbraw/zinc/19/11/65/436191165.db2.gz QMMRHASQEVCJGR-UBHSHLNASA-N 0 0 333.388 0.137 10 0 in-vitro ECAERN CN(C)C(=O)[C@H]1CCCN1CC(=O)N1CCN(Cc2ccco2)CC1 ZINC000076802593 436216394 /nfs/dbraw/zinc/21/63/94/436216394.db2.gz HOBWPJNUTAPSKT-MRXNPFEDSA-N 0 0 348.447 0.476 10 0 ECAERN C[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2C1=O ZINC000035477457 436255236 /nfs/dbraw/zinc/25/52/36/436255236.db2.gz WVOVFXNKWAMRHF-LBPRGKRZSA-N 0 0 331.372 0.120 10 0 ECAERN CCN(CC)C(=O)CCCNC(=O)N1CCC[C@@H](NC(C)=O)C1 ZINC000079479418 436298049 /nfs/dbraw/zinc/29/80/49/436298049.db2.gz KVWDLRDPTGKWDD-CQSZACIVSA-N 0 0 326.441 0.945 10 0 ECAERN CN1CCN(C(=O)CCNC(=O)N[C@@H]2CCOc3ccccc32)CC1 ZINC000043165384 436327392 /nfs/dbraw/zinc/32/73/92/436327392.db2.gz GKVSIPIWXADIDY-OAHLLOKOSA-N 0 0 346.431 0.974 10 0 ECAERN COC(=O)[C@H](NC(=O)[C@@H]1CNC(=O)C1)c1ccc(Cl)c(F)c1 ZINC000089372720 436409018 /nfs/dbraw/zinc/40/90/18/436409018.db2.gz KKVJTGWRJBZCFY-QPUJVOFHSA-N 0 0 328.727 0.946 10 0 ECAERN COCCn1nc(C)c(NC(=O)NC[C@H](C)N2CCOCC2)c1C ZINC000090148726 436429870 /nfs/dbraw/zinc/42/98/70/436429870.db2.gz RFMHWWBBQYONSN-LBPRGKRZSA-N 0 0 339.440 0.989 10 0 ECAERN CN(CC[C@@H](O)c1ccccc1)C(=O)C1CCN(CC(N)=O)CC1 ZINC000091780077 436460541 /nfs/dbraw/zinc/46/05/41/436460541.db2.gz IWKGHSWDQAYSCR-MRXNPFEDSA-N 0 0 333.432 0.766 10 0 ECAERN C[C@@H](NC(=O)c1ccco1)C(=O)N1CCCN(c2cccnn2)CC1 ZINC000105810025 436577389 /nfs/dbraw/zinc/57/73/89/436577389.db2.gz CKKNLHBPKGAKBL-CYBMUJFWSA-N 0 0 343.387 0.927 10 0 ECAERN CC(C)n1nnnc1CN1CCN(c2ccc3nncn3n2)CC1 ZINC000105817427 436579736 /nfs/dbraw/zinc/57/97/36/436579736.db2.gz FZEAWJCAGJEDHB-UHFFFAOYSA-N 0 0 328.384 0.014 10 0 ECAERN Cc1nc2ccccc2n1CCNC(=O)NC[C@@H]1CN(C)CCO1 ZINC000104778326 436562132 /nfs/dbraw/zinc/56/21/32/436562132.db2.gz AAHRMYYFTIDNSS-CQSZACIVSA-N 0 0 331.420 0.975 10 0 ECAERN CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)NC[C@H]1CN(C)CCO1 ZINC000109174137 436623578 /nfs/dbraw/zinc/62/35/78/436623578.db2.gz PRVMYBIQMRAPMF-HOTGVXAUSA-N 0 0 348.447 0.316 10 0 ECAERN C[C@@H]1CN(C(=O)CN2CCCN(Cc3cnn(C)c3)CC2)C[C@H](C)O1 ZINC000105869471 436584063 /nfs/dbraw/zinc/58/40/63/436584063.db2.gz NCTICYDFDNYABK-IYBDPMFKSA-N 0 0 349.479 0.564 10 0 ECAERN O=C(CN1CCO[C@@H](Cn2cccn2)C1)NCCOc1ccccc1 ZINC000105889123 436584805 /nfs/dbraw/zinc/58/48/05/436584805.db2.gz UXNBWBGUDASMLS-QGZVFWFLSA-N 0 0 344.415 0.779 10 0 ECAERN CCOC(=O)CCN1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000105921946 436586593 /nfs/dbraw/zinc/58/65/93/436586593.db2.gz JLGZWHMTQRYARI-MRXNPFEDSA-N 0 0 336.432 0.997 10 0 ECAERN Cc1nc(C)n(C[C@H]2CCCN(Cc3nc(N)nc(N(C)C)n3)C2)n1 ZINC000106179352 436590126 /nfs/dbraw/zinc/59/01/26/436590126.db2.gz SHLLMMHLFOOKNK-ZDUSSCGKSA-N 0 0 345.455 0.640 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)c2cnn(-c3ccccc3)n2)CC1 ZINC000106393720 436593593 /nfs/dbraw/zinc/59/35/93/436593593.db2.gz RMBKQPANONWCFB-OAHLLOKOSA-N 0 0 329.404 0.796 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)CNC(=O)c2ccccc2C)CC1 ZINC000106403299 436595382 /nfs/dbraw/zinc/59/53/82/436595382.db2.gz NLHUEYIXJCNOFY-OAHLLOKOSA-N 0 0 333.432 0.640 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)Cn1c3ccccc3[nH]c1=O)CC2 ZINC000114868345 436644572 /nfs/dbraw/zinc/64/45/72/436644572.db2.gz OGAQDUOWAYXSQX-LLVKDONJSA-N 0 0 340.387 0.615 10 0 ECAERN CCc1nnc([C@H]2CN(C(=O)NCCCn3cccn3)CCO2)[nH]1 ZINC000136732859 436652872 /nfs/dbraw/zinc/65/28/72/436652872.db2.gz TVXXICZPBDFSSP-GFCCVEGCSA-N 0 0 333.396 0.737 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)Nc2ccn(CCOC)n2)CC1 ZINC000136802457 436653758 /nfs/dbraw/zinc/65/37/58/436653758.db2.gz XYOMGMSUYHRSTI-ZDUSSCGKSA-N 0 0 325.413 0.450 10 0 ECAERN O=C(NC[C@@H](O)CN1CCOCC1)c1cc(F)cc2nccnc21 ZINC000193914711 436654304 /nfs/dbraw/zinc/65/43/04/436654304.db2.gz SIUXMDWPUAGADD-GFCCVEGCSA-N 0 0 334.351 0.192 10 0 ECAERN Cc1ccc2c(c1)c(CN1CC(=O)N3CC[C@@H](O)C[C@H]3C1=O)nn2C ZINC000065403612 436657686 /nfs/dbraw/zinc/65/76/86/436657686.db2.gz SZBPBGKVDSHRBG-WBMJQRKESA-N 0 0 342.399 0.576 10 0 ECAERN CCc1ccc([C@@H](C)NC(=O)Cn2cc(S(N)(=O)=O)cn2)cc1 ZINC000120477356 436689883 /nfs/dbraw/zinc/68/98/83/436689883.db2.gz KKVNIRSRYMVYQA-LLVKDONJSA-N 0 0 336.417 0.970 10 0 ECAERN COCCn1ccc(NC(=O)N2CCN(CCOC)[C@@H](C)C2)n1 ZINC000150820718 436691261 /nfs/dbraw/zinc/69/12/61/436691261.db2.gz YPKJHHBJHOUEBI-ZDUSSCGKSA-N 0 0 325.413 0.714 10 0 ECAERN CCCCN(C[C@H](O)CN1CCCC1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000121053490 436707063 /nfs/dbraw/zinc/70/70/63/436707063.db2.gz KXUDBBLTWRDTOO-KGLIPLIRSA-N 0 0 332.466 0.259 10 0 ECAERN CCOC1CC(CNC(=O)[C@H]2CC[C@H](C)O2)(N2CCOCC2)C1 ZINC000195198463 436681698 /nfs/dbraw/zinc/68/16/98/436681698.db2.gz ZVIDGHLTJKWYPJ-UJEKJILKSA-N 0 0 326.437 0.940 10 0 ECAERN Cn1cc([C@H]2CCN([C@@H]3CC(=O)N(CC(F)(F)F)C3=O)C2)cn1 ZINC000195242810 436683635 /nfs/dbraw/zinc/68/36/35/436683635.db2.gz JNHUJKBNROAJKC-GXSJLCMTSA-N 0 0 330.310 0.899 10 0 ECAERN CO[C@H](C)CS(=O)(=O)N1CCO[C@H](Cn2nc(C)cc2C)C1 ZINC000195240752 436683779 /nfs/dbraw/zinc/68/37/79/436683779.db2.gz FVWHUXQEOMZGFJ-KGLIPLIRSA-N 0 0 331.438 0.565 10 0 ECAERN CO[C@H](C)CS(=O)(=O)N1CCN([C@@H](C)c2nc(C)no2)CC1 ZINC000195240632 436684684 /nfs/dbraw/zinc/68/46/84/436684684.db2.gz CQJRXXCZIHESPK-MNOVXSKESA-N 0 0 332.426 0.421 10 0 ECAERN O=C1CN(C[C@]2(O)CCCN(CCc3ccccc3)C2=O)CCN1 ZINC000067743284 436721819 /nfs/dbraw/zinc/72/18/19/436721819.db2.gz JKXRCYDYOSTORD-GOSISDBHSA-N 0 0 331.416 0.014 10 0 ECAERN CNS(=O)(=O)c1cc(C(=O)N2CC[C@H](c3cnn(C)c3)C2)co1 ZINC000152179733 436723591 /nfs/dbraw/zinc/72/35/91/436723591.db2.gz IQWBQADTRUJESL-JTQLQIEISA-N 0 0 338.389 0.551 10 0 ECAERN CCOc1ccnc(N2CCN(C(=O)Cc3cc(C)n[nH]3)CC2)n1 ZINC000152359729 436728478 /nfs/dbraw/zinc/72/84/78/436728478.db2.gz QSPYCSRACRXWHL-UHFFFAOYSA-N 0 0 330.392 0.798 10 0 ECAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCN(CCOC)CC1 ZINC000153118270 436748694 /nfs/dbraw/zinc/74/86/94/436748694.db2.gz OJBAXNJMJRXZPA-ZDUSSCGKSA-N 0 0 336.440 0.649 10 0 ECAERN Cc1ccc([C@H](C)NC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)o1 ZINC000069142036 436763558 /nfs/dbraw/zinc/76/35/58/436763558.db2.gz HSFDYSDXDGPPOA-GJZGRUSLSA-N 0 0 349.431 0.946 10 0 ECAERN CC(C)NC(=O)CCNC(=O)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000155938627 436807170 /nfs/dbraw/zinc/80/71/70/436807170.db2.gz XWLOPGFYDXQQCR-LBPRGKRZSA-N 0 0 336.440 0.930 10 0 ECAERN O=C(Nc1cccc(-n2ccnn2)c1)C(=O)N[C@@H]1CCCC[C@@H]1CO ZINC000127879689 436808826 /nfs/dbraw/zinc/80/88/26/436808826.db2.gz SXJQSUDTINMSCC-IUODEOHRSA-N 0 0 343.387 0.873 10 0 ECAERN CC[C@H](Oc1ccccc1C)C(=O)NC[C@@H](O)CN1CCOCC1 ZINC000128030253 436811457 /nfs/dbraw/zinc/81/14/57/436811457.db2.gz UNUATPLMKUJWMD-CVEARBPZSA-N 0 0 336.432 0.962 10 0 ECAERN C[C@H](Oc1ccc(F)c(F)c1)C(=O)NC[C@@H](O)CN1CCOCC1 ZINC000128141762 436812876 /nfs/dbraw/zinc/81/28/76/436812876.db2.gz PXPGMSRGZJZSQM-NWDGAFQWSA-N 0 0 344.358 0.541 10 0 ECAERN Cc1cnn(C[C@H]2CN(C[C@@H](O)COC3CCOCC3)CCO2)c1 ZINC000245874349 436768830 /nfs/dbraw/zinc/76/88/30/436768830.db2.gz QMCMDMDVUZRGSY-NVXWUHKLSA-N 0 0 339.436 0.449 10 0 ECAERN CNC(=O)Cc1nc(CN2C[C@H](C)[C@H](N3CCOCC3)C2)cs1 ZINC000246580510 436781806 /nfs/dbraw/zinc/78/18/06/436781806.db2.gz WBZCWCCUXPIGSN-GXTWGEPZSA-N 0 0 338.477 0.584 10 0 ECAERN CNC(=O)c1cccc(C(=O)N2CCOC[C@H]2c2nc(C)no2)c1 ZINC000155476229 436796381 /nfs/dbraw/zinc/79/63/81/436796381.db2.gz YQCZFVSEQYUJTH-ZDUSSCGKSA-N 0 0 330.344 0.951 10 0 ECAERN C[C@@H](Oc1ccccc1Cl)C(=O)NC[C@H](O)CN1CCOCC1 ZINC000128982241 436822270 /nfs/dbraw/zinc/82/22/70/436822270.db2.gz ZKNOOOKPXFQHOO-OLZOCXBDSA-N 0 0 342.823 0.917 10 0 ECAERN C[C@H]1CC[C@H](C(=O)NCCS(=O)(=O)NCc2ccccc2)O1 ZINC000131744672 436857976 /nfs/dbraw/zinc/85/79/76/436857976.db2.gz PUESPRALDQMCLN-GXTWGEPZSA-N 0 0 326.418 0.790 10 0 ECAERN CNC(=O)CCCN(C)C(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000132995062 436871382 /nfs/dbraw/zinc/87/13/82/436871382.db2.gz DBJZAULUVOICCE-GFCCVEGCSA-N 0 0 336.440 0.884 10 0 ECAERN CC(=O)N[C@H]1CCCN([C@H]2CC(=O)N(Cc3ccccc3)C2=O)C1 ZINC000249700686 436826203 /nfs/dbraw/zinc/82/62/03/436826203.db2.gz HBVKXEWXKPGCFJ-HOTGVXAUSA-N 0 0 329.400 0.915 10 0 ECAERN CCC[C@@H]([NH2+][C@H](C)C(=O)N1CCN(c2ncccn2)CC1)C(=O)[O-] ZINC000262264201 436918787 /nfs/dbraw/zinc/91/87/87/436918787.db2.gz HAQYSPUIIGWLNH-CHWSQXEVSA-N 0 0 335.408 0.357 10 0 ECAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)CCC(=O)N1CCOCC1)CC2 ZINC000133920055 436887333 /nfs/dbraw/zinc/88/73/33/436887333.db2.gz XUPADVHUILTYJG-CYBMUJFWSA-N 0 0 349.435 0.472 10 0 ECAERN Cc1nc(C(=O)N(C)[C@@H]2CCCN(c3cccnn3)C2)c(=O)[nH]c1C ZINC000161802924 436897509 /nfs/dbraw/zinc/89/75/09/436897509.db2.gz ZNYLJQSJYYGXOB-CYBMUJFWSA-N 0 0 342.403 0.918 10 0 ECAERN CCCC(=O)N[C@@H]1CCCN(C(=O)N[C@@H](C)CN2CCOCC2)C1 ZINC000171009174 436963851 /nfs/dbraw/zinc/96/38/51/436963851.db2.gz NEMDKZJNRTXQJL-LSDHHAIUSA-N 0 0 340.468 0.797 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)NC[C@@]2(O)CCC[C@H]2C)C1 ZINC000263514221 436969680 /nfs/dbraw/zinc/96/96/80/436969680.db2.gz ZUADJNWDYMJWAC-OCLKLICZSA-N 0 0 327.425 0.774 10 0 ECAERN C[C@@H]1OCC[C@H]1S(=O)(=O)NC1CC([N@@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263509002 436969885 /nfs/dbraw/zinc/96/98/85/436969885.db2.gz WWGMMHIFVBTWCM-KWCMIHLGSA-N 0 0 346.449 0.411 10 0 ECAERN Cc1cc(C)n(-c2ccc(C(=O)NC[C@@H]3CN(C)CCO3)cn2)n1 ZINC000171287779 436975694 /nfs/dbraw/zinc/97/56/94/436975694.db2.gz JVHAVBNBKOFJLW-OAHLLOKOSA-N 0 0 329.404 0.945 10 0 ECAERN Cn1cccc(C(=O)NC2CC([N@@H+](CC(=O)[O-])CC3CC3)C2)c1=O ZINC000262692075 436940507 /nfs/dbraw/zinc/94/05/07/436940507.db2.gz FBZVEJKDCGVLII-UHFFFAOYSA-N 0 0 333.388 0.443 10 0 ECAERN Nc1c(=O)[nH]c(=O)[nH]c1C(=O)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000168631906 436942701 /nfs/dbraw/zinc/94/27/01/436942701.db2.gz UTAJYVUSOLJWAF-MRVPVSSYSA-N 0 0 342.277 0.549 10 0 ECAERN COC[C@@H](O)CN1CCO[C@@H](COc2ccc3c(c2)OCO3)C1 ZINC000169679754 436943261 /nfs/dbraw/zinc/94/32/61/436943261.db2.gz RGLUMBGKDIUBEE-GXTWGEPZSA-N 0 0 325.361 0.502 10 0 ECAERN CCOC(=O)C1CCN(C(=O)C(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000170331298 436944425 /nfs/dbraw/zinc/94/44/25/436944425.db2.gz IFICQEJENDGZTL-RYUDHWBXSA-N 0 0 326.393 0.424 10 0 ECAERN C[N@@H+](CC(=O)[O-])C[C@@H]1CN(C(=O)[C@@H]2CCc3ccccc32)CCO1 ZINC000263008660 436947918 /nfs/dbraw/zinc/94/79/18/436947918.db2.gz YFXVHUMVHZECPA-GDBMZVCRSA-N 0 0 332.400 0.960 10 0 ECAERN CCn1cc(CN2CCCN(C(=O)[C@H]3CC(F)(F)CN3)CC2)cn1 ZINC000263154571 436954138 /nfs/dbraw/zinc/95/41/38/436954138.db2.gz DGWUBLIODUIXOH-CQSZACIVSA-N 0 0 341.406 0.935 10 0 ECAERN Cc1nnc(NC(=O)N[C@H]2CCCN(c3nccn(C)c3=O)C2)s1 ZINC000275655620 436996448 /nfs/dbraw/zinc/99/64/48/436996448.db2.gz KVIHAOCYRVFCOE-JTQLQIEISA-N 0 0 349.420 0.731 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)c1ccnc(-n3cncn3)c1)CC2 ZINC000172254899 437004734 /nfs/dbraw/zinc/00/47/34/437004734.db2.gz LNKBDFFFKGDZOG-GFCCVEGCSA-N 0 0 338.375 0.561 10 0 ECAERN Cc1cnn(CCNC(=O)N2CCCN(Cc3cnn(C)c3)CC2)c1 ZINC000172291297 437006423 /nfs/dbraw/zinc/00/64/23/437006423.db2.gz WMADUZOMTCDGKR-UHFFFAOYSA-N 0 0 345.451 0.843 10 0 ECAERN COCCN1CCN(C(=O)NCCc2cccc(C(N)=O)c2)C[C@H]1C ZINC000172334299 437011257 /nfs/dbraw/zinc/01/12/57/437011257.db2.gz OLSSEGLDEWYLCW-CQSZACIVSA-N 0 0 348.447 0.690 10 0 ECAERN Cc1csc([C@@H]2CCCN(C(=O)NCCNS(C)(=O)=O)C2)n1 ZINC000173481344 437052824 /nfs/dbraw/zinc/05/28/24/437052824.db2.gz VQZINXXAVOUZNG-LLVKDONJSA-N 0 0 346.478 0.890 10 0 ECAERN Cc1nnc([C@@H]2CN(C(=O)CN(C)C(=O)c3cccs3)CCO2)[nH]1 ZINC000173535711 437054180 /nfs/dbraw/zinc/05/41/80/437054180.db2.gz NHIYPNIPDYRTNV-NSHDSACASA-N 0 0 349.416 0.847 10 0 ECAERN Cc1nnc([C@@H]2CN(C(=O)CNC(=O)Cc3ccccc3)CCO2)[nH]1 ZINC000173601507 437057583 /nfs/dbraw/zinc/05/75/83/437057583.db2.gz KVCWIZUYRDEVLY-AWEZNQCLSA-N 0 0 343.387 0.372 10 0 ECAERN Cc1nnc([C@H]2CN(CC(=O)NCCOc3ccccc3)CCO2)[nH]1 ZINC000173670799 437060689 /nfs/dbraw/zinc/06/06/89/437060689.db2.gz PSCOUQSEVSCOHG-OAHLLOKOSA-N 0 0 345.403 0.682 10 0 ECAERN CC(C)CCOCCNC(=O)CN1CC[C@@H](N2CCOCC2)C1 ZINC000173930443 437068146 /nfs/dbraw/zinc/06/81/46/437068146.db2.gz USWYAPKVWCRKCG-MRXNPFEDSA-N 0 0 327.469 0.572 10 0 ECAERN Cc1nc(CN2CCCN(C(=O)NCCn3cccn3)CC2)no1 ZINC000174953380 437092297 /nfs/dbraw/zinc/09/22/97/437092297.db2.gz XLIFPSJTWKXBGO-UHFFFAOYSA-N 0 0 333.396 0.492 10 0 ECAERN CNS(=O)(=O)CC(=O)N1CCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000175220967 437096525 /nfs/dbraw/zinc/09/65/25/437096525.db2.gz FRFWTBADEHCWCR-UONOGXRCSA-N 0 0 326.418 0.650 10 0 ECAERN CNS(=O)(=O)CC(=O)N1CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000175220940 437097128 /nfs/dbraw/zinc/09/71/28/437097128.db2.gz FRFWTBADEHCWCR-KBPBESRZSA-N 0 0 326.418 0.650 10 0 ECAERN NC(=O)[C@@H]1COCCN1CC(=O)N(Cc1ccco1)CC(F)(F)F ZINC000092228842 303308275 /nfs/dbraw/zinc/30/82/75/303308275.db2.gz QDAONDKAFXZISD-NSHDSACASA-N 0 0 349.309 0.357 10 0 ECAERN NC(=O)[C@H]1CCCN1CC(=O)Nc1nc(CN2CCCC2)cs1 ZINC000178371406 303329656 /nfs/dbraw/zinc/32/96/56/303329656.db2.gz OLVQGQNIAIUFPN-GFCCVEGCSA-N 0 0 337.449 0.627 10 0 ECAERN O=C(Cn1c(=O)c2ccccc2[n-]c1=S)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000175329619 437101242 /nfs/dbraw/zinc/10/12/42/437101242.db2.gz UHMWBJPWTADGHK-LBPRGKRZSA-N 0 0 344.440 0.992 10 0 ECAERN COc1ccc(CNC(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)cn1 ZINC000175645941 437112517 /nfs/dbraw/zinc/11/25/17/437112517.db2.gz JQHUZRQGLCIWHV-ZFWWWQNUSA-N 0 0 334.420 0.952 10 0 ECAERN Cn1cc(N2CCN(C[C@@H](O)COCc3ccccc3)CC2=O)cn1 ZINC000175419164 437103926 /nfs/dbraw/zinc/10/39/26/437103926.db2.gz ABQFECUGUSFINB-QGZVFWFLSA-N 0 0 344.415 0.646 10 0 ECAERN COCCN1C(=O)N[C@@H]2CN(C(=O)c3cccc4nccn43)CC[C@@H]21 ZINC000299742658 437108600 /nfs/dbraw/zinc/10/86/00/437108600.db2.gz ICZWCIXZHDOCAU-OLZOCXBDSA-N 0 0 343.387 0.589 10 0 ECAERN CC(C)C(=O)NCCNC(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000175627129 437109654 /nfs/dbraw/zinc/10/96/54/437109654.db2.gz KMDAWMUWKSQHFU-KGLIPLIRSA-N 0 0 326.441 0.121 10 0 ECAERN CS(=O)(=O)NCc1ccc(C(=O)N2CCN3CCCC[C@@H]3C2)o1 ZINC000176587771 437150667 /nfs/dbraw/zinc/15/06/67/437150667.db2.gz UKXYWGHJOMBTMJ-GFCCVEGCSA-N 0 0 341.433 0.639 10 0 ECAERN CC(C)OCCN1CCN(C(=O)N[C@@H]2CCCn3ncnc32)CC1 ZINC000176599437 437150977 /nfs/dbraw/zinc/15/09/77/437150977.db2.gz AWOUVGGSONSGCX-CQSZACIVSA-N 0 0 336.440 0.865 10 0 ECAERN CC[C@H]1CN(C(=O)CC2(CS(C)(=O)=O)CC2)CCN1CCOC ZINC000176860318 437159848 /nfs/dbraw/zinc/15/98/48/437159848.db2.gz XBGMWQMXXCZPJW-AWEZNQCLSA-N 0 0 346.493 0.771 10 0 ECAERN C[C@@H]1CN(C(=O)NCCCc2cnn(C)c2)C[C@@H]1N1CCOCC1 ZINC000175748679 437116302 /nfs/dbraw/zinc/11/63/02/437116302.db2.gz SMJXYPMGTQFYEY-ZBFHGGJFSA-N 0 0 335.452 0.715 10 0 ECAERN Cn1ncc(NC[C@@H]2CN(C3CC3)CCO2)c(Br)c1=O ZINC000301270688 437117853 /nfs/dbraw/zinc/11/78/53/437117853.db2.gz XXODSWHWFMZPHN-SNVBAGLBSA-N 0 0 343.225 0.818 10 0 ECAERN CC(C)C(=O)N[C@H]1CCCN(c2ncccc2S(N)(=O)=O)C1 ZINC000301543203 437124896 /nfs/dbraw/zinc/12/48/96/437124896.db2.gz CRELWNKQVKFGAY-NSHDSACASA-N 0 0 326.422 0.470 10 0 ECAERN CCOCCNC(=O)CN1CCN(Cc2cnc(C)s2)CC1 ZINC000175959217 437126419 /nfs/dbraw/zinc/12/64/19/437126419.db2.gz FJMQYZWFQKILEJ-UHFFFAOYSA-N 0 0 326.466 0.722 10 0 ECAERN NC(=O)c1ccc(N2C[C@H]3OCCN(Cc4ccccc4)[C@@H]3C2)nn1 ZINC000301633512 437128363 /nfs/dbraw/zinc/12/83/63/437128363.db2.gz JYSJUIHTABVRGO-HZPDHXFCSA-N 0 0 339.399 0.665 10 0 ECAERN Cc1cc(O)cc(=O)n1CC(=O)N1CCC[C@@H](Cn2cncn2)C1 ZINC000177530150 437187942 /nfs/dbraw/zinc/18/79/42/437187942.db2.gz FDXJORXETMJUER-CYBMUJFWSA-N 0 0 331.376 0.393 10 0 ECAERN Cc1csc(NC(=O)C(=O)N2CCO[C@@H](Cn3cccn3)C2)n1 ZINC000177652887 437194834 /nfs/dbraw/zinc/19/48/34/437194834.db2.gz JZNGLKYETPPEBN-LLVKDONJSA-N 0 0 335.389 0.514 10 0 ECAERN CNC(=O)[C@H](NC(=O)c1cn(Cc2cccc(F)c2)nn1)C(C)C ZINC000178674732 437221743 /nfs/dbraw/zinc/22/17/43/437221743.db2.gz RQJWBESBAJJXFE-CQSZACIVSA-N 0 0 333.367 0.966 10 0 ECAERN CNC(=O)[C@H](NC(=O)CCn1c2ccccc2n(C)c1=O)C(C)C ZINC000178678010 437222053 /nfs/dbraw/zinc/22/20/53/437222053.db2.gz XQYJQZFLZGJLNZ-OAHLLOKOSA-N 0 0 332.404 0.617 10 0 ECAERN CNC(=O)[C@H](NC(=O)c1ccc(CS(C)(=O)=O)cc1)C(C)C ZINC000178723787 437227190 /nfs/dbraw/zinc/22/71/90/437227190.db2.gz VMEKJUTUABXGNU-CYBMUJFWSA-N 0 0 326.418 0.732 10 0 ECAERN CN1CCN(S(=O)(=O)C[C@H]2CCCCO2)C[C@H]1c1ncc[nH]1 ZINC000328617624 437239479 /nfs/dbraw/zinc/23/94/79/437239479.db2.gz CYAVVTAHLXNLMT-OLZOCXBDSA-N 0 0 328.438 0.597 10 0 ECAERN Cc1noc([C@H]2C[C@@H](O)CN2C(=O)C2=NN(CC(C)C)C(=O)CC2)n1 ZINC000328610794 437240295 /nfs/dbraw/zinc/24/02/95/437240295.db2.gz JDKQANNRPVZVNF-DGCLKSJQSA-N 0 0 349.391 0.647 10 0 ECAERN CCN1CCN(C(=O)C2=NN(C)C(=O)CC2)C[C@H]1c1nccn1C ZINC000328629345 437242079 /nfs/dbraw/zinc/24/20/79/437242079.db2.gz ORVHUZXWSJDBLU-ZDUSSCGKSA-N 0 0 332.408 0.234 10 0 ECAERN CCN1CCN(C(=O)Nc2cc(C)n(C)n2)C[C@H]1c1nccn1C ZINC000328632415 437243533 /nfs/dbraw/zinc/24/35/33/437243533.db2.gz RTQXMPITZKGQGP-ZDUSSCGKSA-N 0 0 331.424 1.373 10 0 ECAERN Cc1nc(C(=O)N[C@@H]2CCc3nnc(C(C)C)n3C2)c(=O)[nH]c1C ZINC000179149243 437253153 /nfs/dbraw/zinc/25/31/53/437253153.db2.gz NDLGCPDCMSBZLD-LLVKDONJSA-N 0 0 330.392 0.846 10 0 ECAERN CNC(=O)[C@H](NC(=O)Cc1c(C)nc2c(c(=O)[nH]n2C)c1C)C(C)C ZINC000179126852 437253328 /nfs/dbraw/zinc/25/33/28/437253328.db2.gz OWJPKHHMQCBAHB-CQSZACIVSA-N 0 0 347.419 0.308 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)Nc2cnn(-c3ncccn3)c2)CC1 ZINC000181219383 437311882 /nfs/dbraw/zinc/31/18/82/437311882.db2.gz QSKDCNLCZMUFCC-CQSZACIVSA-N 0 0 345.407 0.583 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)NCCCN2CCCC2=O)CC1 ZINC000181527522 437321289 /nfs/dbraw/zinc/32/12/89/437321289.db2.gz XXNLOYPAZIOEPF-CQSZACIVSA-N 0 0 326.441 0.097 10 0 ECAERN Cc1cn2c(ncc(C(=O)N3CC[C@@H](N4CCOCC4)C3)c2=O)s1 ZINC000179973165 437279224 /nfs/dbraw/zinc/27/92/24/437279224.db2.gz MVDDWFRFXFSQSS-GFCCVEGCSA-N 0 0 348.428 0.611 10 0 ECAERN Cc1sc2ncc(C(=O)NC[C@H]3CN(C)CCO3)c(=O)n2c1C ZINC000180107388 437281225 /nfs/dbraw/zinc/28/12/25/437281225.db2.gz GDQNEYYCMZQLFS-NSHDSACASA-N 0 0 336.417 0.433 10 0 ECAERN NC(=O)[C@@H]1COCCN1C(=O)CCC(=O)c1ccc2c(c1)CCC2 ZINC000180272295 437285119 /nfs/dbraw/zinc/28/51/19/437285119.db2.gz IWPBXCCDFWNZFX-HNNXBMFYSA-N 0 0 330.384 0.851 10 0 ECAERN CCc1nn(C)c(OC)c1CNC(=O)N[C@@H](C(=O)NC)C(C)C ZINC000180366582 437287159 /nfs/dbraw/zinc/28/71/59/437287159.db2.gz NZWDDEPNUFJXPI-GFCCVEGCSA-N 0 0 325.413 0.561 10 0 ECAERN CCCc1cc(NC(=O)C(=O)N2CC[C@H](N3CCOCC3)C2)n(C)n1 ZINC000180716503 437300772 /nfs/dbraw/zinc/30/07/72/437300772.db2.gz DXDLJXCQCHQQKO-AWEZNQCLSA-N 0 0 349.435 0.244 10 0 ECAERN COCc1noc(CN2CCN(C[C@@H](O)COC(C)(C)C)CC2)n1 ZINC000182241303 437342608 /nfs/dbraw/zinc/34/26/08/437342608.db2.gz PXCFZEHYRLVQEU-CYBMUJFWSA-N 0 0 342.440 0.510 10 0 ECAERN C[C@@H]1CN(Cc2cn(Cc3cccnc3)nn2)C[C@@H]1N1CCOCC1 ZINC000183118103 437374688 /nfs/dbraw/zinc/37/46/88/437374688.db2.gz VLBCPYUSPHRPSD-QAPCUYQASA-N 0 0 342.447 0.874 10 0 ECAERN COCC(=O)NC1CN(C(=O)c2cnc3c(C)cc(F)cc3c2O)C1 ZINC000186319547 437470343 /nfs/dbraw/zinc/47/03/43/437470343.db2.gz KCHMSCNSSWCCBA-UHFFFAOYSA-N 0 0 347.346 0.563 10 0 ECAERN C[C@@H](CNC(=O)C(=O)N1CCc2c1cccc2F)N1CCOCC1 ZINC000185495744 437440749 /nfs/dbraw/zinc/44/07/49/437440749.db2.gz ZZEBUCSHBFAIMD-LBPRGKRZSA-N 0 0 335.379 0.552 10 0 ECAERN C/C=C/C[C@H](CO)NC(=O)N[C@@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000185487337 437441797 /nfs/dbraw/zinc/44/17/97/437441797.db2.gz JFYTZLLTRNOTOJ-KOABKASLSA-N 0 0 349.435 0.850 10 0 ECAERN CC[C@@H]1CN(S(=O)(=O)c2ccc(N)cc2)CCN1C[C@@H](C)O ZINC000186090688 437460482 /nfs/dbraw/zinc/46/04/82/437460482.db2.gz PWJZWLUIQYZTFN-TZMCWYRMSA-N 0 0 327.450 0.735 10 0 ECAERN C[C@@H]1CN(S(=O)(=O)c2ccc(N)cc2)C[C@@H]1N1CCOCC1 ZINC000186163311 437463292 /nfs/dbraw/zinc/46/32/92/437463292.db2.gz BJLGKFCMEGKQIJ-DOMZBBRYSA-N 0 0 325.434 0.610 10 0 ECAERN Cc1c(NC(=O)C(=O)N2C[C@H](CO)[C@@H](c3ccsc3)C2)cnn1C ZINC000186297472 437467387 /nfs/dbraw/zinc/46/73/87/437467387.db2.gz JRSWWFGFWQFACB-CHWSQXEVSA-N 0 0 348.428 0.963 10 0 ECAERN C[C@@H]1C(=O)NCCCN1C(=O)CNC(=O)N1CCc2ccccc2C1 ZINC000188069722 437525616 /nfs/dbraw/zinc/52/56/16/437525616.db2.gz CNRVDDDZRWAVJN-CYBMUJFWSA-N 0 0 344.415 0.491 10 0 ECAERN C[C@@H]1C(=O)NCCCN1C(=O)CNC(=O)c1cc2ccccc2[nH]1 ZINC000188103239 437529777 /nfs/dbraw/zinc/52/97/77/437529777.db2.gz MQJGBJIABZUEAQ-LLVKDONJSA-N 0 0 328.372 0.635 10 0 ECAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000188386324 437546659 /nfs/dbraw/zinc/54/66/59/437546659.db2.gz ZNXBINSNBPXDJL-IAGOWNOFSA-N 0 0 331.416 0.313 10 0 ECAERN NC(=O)[C@H]1COCCN1C(=O)Cc1ccc(F)cc1Br ZINC000188435825 437550072 /nfs/dbraw/zinc/55/00/72/437550072.db2.gz AWNOPYGSIPJRCR-LLVKDONJSA-N 0 0 345.168 0.843 10 0 ECAERN Cc1ccccc1C(=O)NCC(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188508309 437553030 /nfs/dbraw/zinc/55/30/30/437553030.db2.gz DSXKXXXRKZHIEF-UHFFFAOYSA-N 0 0 329.400 0.852 10 0 ECAERN CCc1cnc(NC(=O)C(=O)N2CCN(CCOC)[C@@H](C)C2)s1 ZINC000190489427 437626829 /nfs/dbraw/zinc/62/68/29/437626829.db2.gz GMOALBRQQXQKOF-NSHDSACASA-N 0 0 340.449 0.823 10 0 ECAERN FC(F)(F)Cn1nnnc1CN1CCCN(c2cccnn2)CC1 ZINC000190865107 437642365 /nfs/dbraw/zinc/64/23/65/437642365.db2.gz MCUITJNGBZBSBB-UHFFFAOYSA-N 0 0 342.329 0.738 10 0 ECAERN Cn1nc(Br)cc1C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000192121925 437666229 /nfs/dbraw/zinc/66/62/29/437666229.db2.gz MHBCPPYDPPYPPI-SECBINFHSA-N 0 0 331.214 0.585 10 0 ECAERN Cc1cc(C)nc(NC(=O)C(=O)N2CC[C@H](N3CCOCC3)C2)c1 ZINC000193368257 437708327 /nfs/dbraw/zinc/70/83/27/437708327.db2.gz XIHQYFUGDBHFCQ-AWEZNQCLSA-N 0 0 332.404 0.570 10 0 ECAERN CCCCOC[C@@H](O)CN1CCN(CC(=O)N2CCCCC2)CC1 ZINC000193364573 437708846 /nfs/dbraw/zinc/70/88/46/437708846.db2.gz LWXKBLGGFJNMMH-KRWDZBQOSA-N 0 0 341.496 0.794 10 0 ECAERN CC(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCO[C@@H](c2nncn2C)C1 ZINC000583623951 439489748 /nfs/dbraw/zinc/48/97/48/439489748.db2.gz RQKUHGJFHSTUEO-MJBXVCDLSA-N 0 0 337.424 0.959 10 0 ECAERN CON(C)C(=O)[C@]1(N2CCN(C(=O)OC(C)(C)C)CC2)CCOC1 ZINC000536952302 439540345 /nfs/dbraw/zinc/54/03/45/439540345.db2.gz AVLIUINTMVIWSD-INIZCTEOSA-N 0 0 343.424 0.718 10 0 ECAERN COC(=O)CC(=O)NCCCCCCCNC(=O)CC(=O)OC ZINC000584605490 439605653 /nfs/dbraw/zinc/60/56/53/439605653.db2.gz SSLNVGGMWOWEHQ-UHFFFAOYSA-N 0 0 330.381 0.296 10 0 ECAERN CCOC(=O)c1ccccc1[C@H]1CN(S(N)(=O)=O)CCCO1 ZINC000616658758 439820544 /nfs/dbraw/zinc/82/05/44/439820544.db2.gz LMLCPDZCRFRVIW-CYBMUJFWSA-N 0 0 328.390 0.830 10 0 ECAERN Cc1cc(C(F)(F)F)nn1CC(=O)N[C@@H]1C[C@H](O)[C@H]1n1cccn1 ZINC000616777209 439822222 /nfs/dbraw/zinc/82/22/22/439822222.db2.gz WFCCSIHIIVIKSI-NRUUGDAUSA-N 0 0 343.309 0.898 10 0 ECAERN O=C(COc1ccc(F)cc1Br)N[C@@H]1CCNC1=O ZINC000616971932 439826747 /nfs/dbraw/zinc/82/67/47/439826747.db2.gz YMOUIQGKVYMOBN-SECBINFHSA-N 0 0 331.141 0.972 10 0 ECAERN CC1CCC(OCC(=O)N2C[C@@H](O)[C@H](Oc3cnn(C)c3)C2)CC1 ZINC000628262223 440447575 /nfs/dbraw/zinc/44/75/75/440447575.db2.gz CFNKXSAMXGUIIA-BCAXMMLOSA-N 0 0 337.420 0.966 10 0 ECAERN CCN1CCN(Cc2nnc([C@]3(OC)CCOC3)o2)C(C)(C)C1=O ZINC000644267597 440499639 /nfs/dbraw/zinc/49/96/39/440499639.db2.gz CHLVWZKLWJXCAN-INIZCTEOSA-N 0 0 338.408 0.774 10 0 ECAERN O=C(CN1CCCC[C@@H](O)C1=O)NCCOc1ncccc1Cl ZINC000644393129 440564975 /nfs/dbraw/zinc/56/49/75/440564975.db2.gz BUGCWGGWECZNAA-GFCCVEGCSA-N 0 0 341.795 0.603 10 0 ECAERN O=C(CN1CCCC[C@H](O)C1=O)N1CCC(Cn2cccn2)CC1 ZINC000644367737 440549609 /nfs/dbraw/zinc/54/96/09/440549609.db2.gz PAJNXAIGJLCOIZ-HNNXBMFYSA-N 0 0 334.420 0.495 10 0 ECAERN Cc1cc(C)n(C[C@H]2CN(C(=O)NCCn3cccn3)CCO2)n1 ZINC000172036231 320515870 /nfs/dbraw/zinc/51/58/70/320515870.db2.gz QGYGJSBPUPOMAS-OAHLLOKOSA-N 0 0 332.408 0.807 10 0 ECAERN CCc1nsc(N2CCN(C(=O)[C@@H](C)N3CCOCC3)CC2)n1 ZINC000329814701 320790155 /nfs/dbraw/zinc/79/01/55/320790155.db2.gz NQNXGVQANZIADI-GFCCVEGCSA-N 0 0 339.465 0.470 10 0 ECAERN CN(C[C@@H]1C[C@H](F)CN1Cc1nccs1)C(=O)[C@H]1COCCO1 ZINC000329929324 320796320 /nfs/dbraw/zinc/79/63/20/320796320.db2.gz NIHDWVALUICPJN-RWMBFGLXSA-N 0 0 343.424 0.929 10 0 ECAERN COCCN1CCCN(C(=O)c2ncoc2[C@@H]2CCCO2)CC1=O ZINC000329934841 320796447 /nfs/dbraw/zinc/79/64/47/320796447.db2.gz CEHLDIKPXUPWMU-LBPRGKRZSA-N 0 0 337.376 0.847 10 0 ECAERN O=C([C@@H]1CC(=O)N(c2cn[nH]c2)C1)N1CCO[C@H](COCC2CC2)C1 ZINC000330183036 320809352 /nfs/dbraw/zinc/80/93/52/320809352.db2.gz PLYQBSGQVJHXRK-HIFRSBDPSA-N 0 0 348.403 0.417 10 0 ECAERN O=C1CCCN1C[C@@H](O)CN1CCn2c(Br)cnc2C1 ZINC000368507102 321731329 /nfs/dbraw/zinc/73/13/29/321731329.db2.gz HUVCLCSMVALAHE-JTQLQIEISA-N 0 0 343.225 0.445 10 0 ECAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)C(=O)Nc3cnn(C)c3)CCO2)n1 ZINC000158379482 534112838 /nfs/dbraw/zinc/11/28/38/534112838.db2.gz BJVORBMSIZYLRG-AWEZNQCLSA-N 0 0 346.391 0.100 10 0 ECAERN C[C@@H]1OCCC[C@@H]1C(=O)NCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000187903557 534152640 /nfs/dbraw/zinc/15/26/40/534152640.db2.gz PUPGQICCNNVPIJ-ONGXEEELSA-N 0 0 332.360 0.726 10 0 ECAERN NC(=O)[C@H]1COCCN1S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000158152374 534463531 /nfs/dbraw/zinc/46/35/31/534463531.db2.gz UZMFLBLFVSYSTR-MRVPVSSYSA-N 0 0 340.188 0.263 10 0 ECAERN Cc1cccc(C[C@H](CO)NC(=O)N[C@H]2CCc3ncnn3C2)c1 ZINC000190163575 534723851 /nfs/dbraw/zinc/72/38/51/534723851.db2.gz DPUGRABZPZSMME-LSDHHAIUSA-N 0 0 329.404 0.804 10 0 ECAERN CC(=O)NC1CN(C(=O)NCc2cccnc2OCC(F)F)C1 ZINC000190296381 526709229 /nfs/dbraw/zinc/70/92/29/526709229.db2.gz NWFKDTBPEAWNLR-UHFFFAOYSA-N 0 0 328.319 0.755 10 0 ECAERN CC(=O)NCC(=O)NCC(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000173930610 526720681 /nfs/dbraw/zinc/72/06/81/526720681.db2.gz UXTCOYKFJSZIJH-LBPRGKRZSA-N 0 0 343.387 0.302 10 0 ECAERN CC(=O)N[C@@H]1CCCN(C(=O)CN2CC[C@H](Oc3ccncc3)C2)C1 ZINC000131676132 526848027 /nfs/dbraw/zinc/84/80/27/526848027.db2.gz PYRSGMJTBJODAF-WBVHZDCISA-N 0 0 346.431 0.662 10 0 ECAERN CCNC(=O)c1ccc(CNC(=O)N2CC(NC(=O)C3CC3)C2)cc1 ZINC000190164555 528239433 /nfs/dbraw/zinc/23/94/33/528239433.db2.gz UWPCSQFZBZFWGO-UHFFFAOYSA-N 0 0 344.415 0.856 10 0 ECAERN CCOCCS(=O)(=O)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000178696683 528849525 /nfs/dbraw/zinc/84/95/25/528849525.db2.gz OPTQADAPRBKKIP-INIZCTEOSA-N 0 0 342.461 0.704 10 0 ECAERN CN(C[C@@H]1CN(C)CCO1)S(=O)(=O)c1ccc2c(c1)OCO2 ZINC000074774989 545684832 /nfs/dbraw/zinc/68/48/32/545684832.db2.gz WESAGHNYOBIHDJ-NSHDSACASA-N 0 0 328.390 0.366 10 0 ECAERN CC(=O)N1CCN(C(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)CC1 ZINC000075245029 545688509 /nfs/dbraw/zinc/68/85/09/545688509.db2.gz SYVFWLBORBVERE-NSHDSACASA-N 0 0 329.356 0.362 10 0 ECAERN CCOCCN1CCN(CC(=O)N(C)Cc2cnn(C)c2)C[C@@H]1C ZINC000105835443 545738658 /nfs/dbraw/zinc/73/86/58/545738658.db2.gz ZSQAVQVTPNQUDS-HNNXBMFYSA-N 0 0 337.468 0.421 10 0 ECAERN COCCN1CCN([C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)C[C@@H]1C ZINC000105831670 545739992 /nfs/dbraw/zinc/73/99/92/545739992.db2.gz GLHNFGARFSBSSG-KBPBESRZSA-N 0 0 348.447 0.765 10 0 ECAERN O=C(Nc1cnn(Cc2ccccn2)c1)C(=O)N1CCC[C@H]1CO ZINC000189921345 545906163 /nfs/dbraw/zinc/90/61/63/545906163.db2.gz GYWYUNYSUNLXFH-AWEZNQCLSA-N 0 0 329.360 0.248 10 0 ECAERN C[C@@H]1CN(S(=O)(=O)CC[C@@H]2CCCO2)C[C@H]1N1CCOCC1 ZINC000246030990 545938034 /nfs/dbraw/zinc/93/80/34/545938034.db2.gz PSNLURUSLPQKBV-QLFBSQMISA-N 0 0 332.466 0.538 10 0 ECAERN O=C(c1cscc1Br)N1CC[C@@]2(C1)NC(=O)NC2=O ZINC000404958956 546197279 /nfs/dbraw/zinc/19/72/79/546197279.db2.gz UFRHGTWDPVEEDN-NSHDSACASA-N 0 0 344.190 0.935 10 0 ECAERN CS(=O)(=O)c1cnn(-c2ncc(Br)cc2CO)c1 ZINC000725250894 549729356 /nfs/dbraw/zinc/72/93/56/549729356.db2.gz AOKWWYKUSLGFJY-UHFFFAOYSA-N 0 0 332.179 0.926 10 0 ECAERN COC(=O)c1ccc(CS(=O)(=O)N=S2(=O)CCNCC2)cc1 ZINC000725261098 549730148 /nfs/dbraw/zinc/73/01/48/549730148.db2.gz MTGCSHFQWRCUPD-UHFFFAOYSA-N 0 0 346.430 0.374 10 0 ECAERN COC[C@@H](O)c1cnnn1CCCN1C(=O)c2ccccc2C1=O ZINC000675080831 564113989 /nfs/dbraw/zinc/11/39/89/564113989.db2.gz WGYSJEVFYRJGRO-CQSZACIVSA-N 0 0 330.344 0.644 10 0 ECAERN Cc1cccc(CNC(=O)CN2CCC[C@@](O)(c3cn[nH]n3)C2)c1 ZINC000794051005 578570449 /nfs/dbraw/zinc/57/04/49/578570449.db2.gz TWTXOYQEMOIKME-KRWDZBQOSA-N 0 0 329.404 0.713 10 0 ECAERN CO[C@@H]1CN(S(=O)(=O)c2cccc(C)c2)C[C@H]1c1cn(C)nn1 ZINC000888076153 586245410 /nfs/dbraw/zinc/24/54/10/586245410.db2.gz BFFDIBYOPYIACV-DZGCQCFKSA-N 0 0 336.417 0.927 10 0 ECAERN CO[C@H]1CCCCN(CC(=O)N2CCOC3(CCOCC3)C2)C1=O ZINC000888076186 586245502 /nfs/dbraw/zinc/24/55/02/586245502.db2.gz GSISOSWPGCRFKM-AWEZNQCLSA-N 0 0 340.420 0.422 10 0 ECAERN CO[C@@H]1CCCCN(CC(=O)N2CCN(c3cnccn3)CC2)C1=O ZINC000888076265 586245521 /nfs/dbraw/zinc/24/55/21/586245521.db2.gz RAMCDCQZWCWUDL-CQSZACIVSA-N 0 0 347.419 0.153 10 0 ECAERN CO[C@@H]1CN(S(=O)(=O)c2ccccc2C)C[C@H]1c1cn(C)nn1 ZINC000888076300 586245527 /nfs/dbraw/zinc/24/55/27/586245527.db2.gz VRWBNSZNJKEVOQ-GXTWGEPZSA-N 0 0 336.417 0.927 10 0 ECAERN Cc1c(C(=O)N[C@H]2C[C@@H](O)[C@@H]2n2cccn2)cnn1C1CCOCC1 ZINC000888079466 586246843 /nfs/dbraw/zinc/24/68/43/586246843.db2.gz VFHCTKHPTVPGJJ-ARFHVFGLSA-N 0 0 345.403 0.844 10 0 ECAERN C[C@@H](O)CN1CCN(c2nc(Cl)ccc2S(N)(=O)=O)C[C@H]1C ZINC000892354046 586257079 /nfs/dbraw/zinc/25/70/79/586257079.db2.gz FLYDYUBINTYOLQ-NXEZZACHSA-N 0 0 348.856 0.274 10 0 ECAERN Cn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2ccc(N3CCC3)nc2)cn1 ZINC000888093496 586348530 /nfs/dbraw/zinc/34/85/30/586348530.db2.gz AGEGALPPOPOVMN-LSDHHAIUSA-N 0 0 343.387 0.601 10 0 ECAERN Cn1cnc(C(=O)N[C@@H]2CCCC[C@@H]2Cc2nn(C)c(=O)n2C)c1 ZINC000888094567 586349039 /nfs/dbraw/zinc/34/90/39/586349039.db2.gz BQAUTLRFAUOGSA-VXGBXAGGSA-N 0 0 332.408 0.384 10 0 ECAERN COc1cccc(CN(C)C(=O)c2coc(CN3CC[C@H](O)C3)n2)n1 ZINC000888095863 586349375 /nfs/dbraw/zinc/34/93/75/586349375.db2.gz ZYRQJCSXBWKHPM-ZDUSSCGKSA-N 0 0 346.387 0.917 10 0 ECAERN CN(Cc1ncc[nH]1)C(=O)[C@H]1CC[C@@H](C(N)=O)N1Cc1ccccc1 ZINC000888095630 586349531 /nfs/dbraw/zinc/34/95/31/586349531.db2.gz VRAXUBSRCZAIMO-LSDHHAIUSA-N 0 0 341.415 0.887 10 0 ECAERN CNC(=O)[C@H]1CC(=O)N(C2CN(c3nc4cccc(F)c4o3)C2)C1 ZINC000888098722 586349942 /nfs/dbraw/zinc/34/99/42/586349942.db2.gz KNNJCAHZUSPANF-VIFPVBQESA-N 0 0 332.335 0.750 10 0 ECAERN O=C(c1cn([C@@H]2COC[C@H]2O)nn1)N1CCC(c2ccco2)CC1 ZINC000888100697 586350277 /nfs/dbraw/zinc/35/02/77/586350277.db2.gz HKOLZUVPKGVCLG-ZIAGYGMSSA-N 0 0 332.360 0.823 10 0 ECAERN COc1ccccc1C1(CNC(=O)[C@@H]2Cn3c(C)nnc3CN2)CC1 ZINC000818108137 587403474 /nfs/dbraw/zinc/40/34/74/587403474.db2.gz HUMNALGSJOZGCN-AWEZNQCLSA-N 0 0 341.415 0.915 10 0 ECAERN CNC(=O)[C@@]1(COC)CCCN1Cc1cnn(-c2ccccc2)n1 ZINC000818188306 587411956 /nfs/dbraw/zinc/41/19/56/587411956.db2.gz MPYSXSJDUSJNGU-KRWDZBQOSA-N 0 0 329.404 0.994 10 0 ECAERN Cn1cc([C@H]2[C@@H](C(=O)OCCn3cccn3)CCC(=O)N2C)cn1 ZINC000115737785 589718930 /nfs/dbraw/zinc/71/89/30/589718930.db2.gz HZHOYJBTYSBMAY-ZFWWWQNUSA-N 0 0 331.376 0.770 10 0 ECAERN Cn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2ccc3cc[nH]c3n2)cn1 ZINC000862923193 589974237 /nfs/dbraw/zinc/97/42/37/589974237.db2.gz OLYZXFGOYRFDIB-UONOGXRCSA-N 0 0 327.344 0.873 10 0 ECAERN Cn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2ccc3nccn3c2)cn1 ZINC000862925637 589974986 /nfs/dbraw/zinc/97/49/86/589974986.db2.gz NLWHSNCFWGLBRM-UONOGXRCSA-N 0 0 327.344 0.644 10 0 ECAERN Cc1cc(C)n2c(nn(CN3C[C@@H](C)O[C@H](C(N)=O)C3)c2=S)n1 ZINC000120208762 590101167 /nfs/dbraw/zinc/10/11/67/590101167.db2.gz RLJFSOFQXNPBOV-MNOVXSKESA-N 0 0 336.421 0.409 10 0 ECAERN O=C(C[C@H]1CS(=O)(=O)CCN1)N1CCC(C(F)(F)F)CC1 ZINC000126818901 590489819 /nfs/dbraw/zinc/48/98/19/590489819.db2.gz NMADXHKJZZUDJY-JTQLQIEISA-N 0 0 328.356 0.564 10 0 ECAERN C[C@@H]1CN=C(N2CCN(C[C@@H](O)CN3CCCC3=O)CC2)S1 ZINC000127025734 590513288 /nfs/dbraw/zinc/51/32/88/590513288.db2.gz YOLGGRICVMVLHE-CHWSQXEVSA-N 0 0 326.466 0.079 10 0 ECAERN CO[C@@H]1CN(C(=O)COc2ccccc2F)C[C@H]1c1cn(C)nn1 ZINC000886075260 590791046 /nfs/dbraw/zinc/79/10/46/590791046.db2.gz GTZGLZORIBHNIT-XHDPSFHLSA-N 0 0 334.351 0.974 10 0 ECAERN CCCc1cc(C(=O)N2CCC[C@](O)(Cc3nncn3C)C2)no1 ZINC000886084500 590792725 /nfs/dbraw/zinc/79/27/25/590792725.db2.gz BSHPPCLWXAOANF-INIZCTEOSA-N 0 0 333.392 0.965 10 0 ECAERN Cn1cnnc1C[C@]1(O)CCCN(C(=O)COc2ccccc2)C1 ZINC000886084796 590792828 /nfs/dbraw/zinc/79/28/28/590792828.db2.gz HVCPRRQGQWNGNX-QGZVFWFLSA-N 0 0 330.388 0.790 10 0 ECAERN Cn1nccc1[C@@H]1[C@@H](C(=O)NCC(F)(F)CO)CCC(=O)N1C ZINC000886087873 590793292 /nfs/dbraw/zinc/79/32/92/590793292.db2.gz BDQXVVVHRHHKGZ-CABZTGNLSA-N 0 0 330.335 0.073 10 0 ECAERN CO[C@@H]1CCCCN(CC(=O)N2CC(=O)Nc3ccccc32)C1=O ZINC000886091351 590794007 /nfs/dbraw/zinc/79/40/07/590794007.db2.gz KZMPJYSBRRCLSC-CQSZACIVSA-N 0 0 331.372 0.999 10 0 ECAERN Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1CNC(=O)C1=NN(C)C(=O)CC1 ZINC000886095130 590794713 /nfs/dbraw/zinc/79/47/13/590794713.db2.gz MAHNVAGNXXQDGK-WBMJQRKESA-N 0 0 347.419 0.839 10 0 ECAERN Cn1ncc(C(=O)N[C@]2(c3ncc[nH]3)CCOC2)c1Br ZINC000886097097 590795697 /nfs/dbraw/zinc/79/56/97/590795697.db2.gz VZUXWAJEDJJQGS-GFCCVEGCSA-N 0 0 340.181 0.951 10 0 ECAERN CCCn1cc(NC(=O)C(=O)N2CCN(C[C@@H](C)O)[C@H](C)C2)cn1 ZINC000158365319 611448061 /nfs/dbraw/zinc/44/80/61/611448061.db2.gz YFMCDDOPQMBMGH-CHWSQXEVSA-N 0 0 337.424 0.145 10 0 ECAERN COC(=O)[C@H]1C[C@@H]1C(=O)NCC1CCN(C(=O)C(F)(F)F)CC1 ZINC000074064579 611486349 /nfs/dbraw/zinc/48/63/49/611486349.db2.gz MGERKERFMVBYGU-UWVGGRQHSA-N 0 0 336.310 0.713 10 0 ECAERN CO[C@@H]1CC(=O)N(CN2CCN(C[C@@H](O)c3ccccc3)CC2)C1 ZINC000189145134 611505309 /nfs/dbraw/zinc/50/53/09/611505309.db2.gz PEKUJMJNSSWJJF-IAGOWNOFSA-N 0 0 333.432 0.542 10 0 ECAERN Cc1cc(NC(=O)C(=O)NC[C@H](C)N2CCOCC2)ccc1N(C)C ZINC000077849401 608747085 /nfs/dbraw/zinc/74/70/85/608747085.db2.gz KZFNQMPVGXXVDY-AWEZNQCLSA-N 0 0 348.447 0.836 10 0 ECAERN CC(C)Cn1c(=O)c2nscc2n(CC(=O)N2CCCC2)c1=O ZINC000065184966 608792212 /nfs/dbraw/zinc/79/22/12/608792212.db2.gz MKJDNEOXLXRLDE-UHFFFAOYSA-N 0 0 336.417 0.898 10 0 ECAERN CN1CCN(C(=O)CN2CCN(C[C@@H](O)c3ccccc3)CC2)CC1 ZINC000178991336 608892094 /nfs/dbraw/zinc/89/20/94/608892094.db2.gz CQHXMQMTQOORHU-GOSISDBHSA-N 0 0 346.475 0.112 10 0 ECAERN CC1(C)C(=O)N(CN2CCN(c3ccc4nncn4n3)CC2)C1(C)C ZINC000177689292 608939295 /nfs/dbraw/zinc/93/92/95/608939295.db2.gz FBNPTEWTDSLZPY-UHFFFAOYSA-N 0 0 343.435 0.851 10 0 ECAERN NC(=O)[C@@H]1COCCN1C(=O)c1ccn(-c2ccccc2Cl)n1 ZINC000180276454 608976924 /nfs/dbraw/zinc/97/69/24/608976924.db2.gz BEPPSPGFMCULGQ-ZDUSSCGKSA-N 0 0 334.763 0.852 10 0 ECAERN Cn1cc(C(=O)N2CCC[C@H]2Cn2cc(C3CC3)nn2)n(C)c1=O ZINC000908093678 609643088 /nfs/dbraw/zinc/64/30/88/609643088.db2.gz KUHJHSXVDOYQLC-LBPRGKRZSA-N 0 0 330.392 0.498 10 0 ECAERN Cc1nc2ccnn2c(C)c1C(=O)N[C@@H]1C[C@@H](O)[C@H]1n1cccn1 ZINC000909174524 609680448 /nfs/dbraw/zinc/68/04/48/609680448.db2.gz HWIJRWLWWUFCJZ-JMSVASOKSA-N 0 0 326.360 0.647 10 0 ECAERN Cn1nc(C(=O)N[C@@H]2C[C@@H](O)[C@H]2n2cccn2)cc1OC(F)F ZINC000909177627 609680756 /nfs/dbraw/zinc/68/07/56/609680756.db2.gz CNWVGAHOAXCQII-ZOFUNIGCSA-N 0 0 327.291 0.322 10 0 ECAERN O=C(N[C@@H]1C[C@H](O)[C@H]1n1cccn1)[C@@]1(O)CCc2ccccc2C1 ZINC000909181315 609681311 /nfs/dbraw/zinc/68/13/11/609681311.db2.gz LXIZCLCGCFSQKF-MUQADHOPSA-N 0 0 327.384 0.594 10 0 ECAERN O=C(N[C@@H]1C[C@H](O)[C@@H]1n1cccn1)[C@@H]1CCCC[C@@H]1N1CCCC1=O ZINC000909191636 609684745 /nfs/dbraw/zinc/68/47/45/609684745.db2.gz SNYVMGHVLZXWSF-LFYQSXPISA-N 0 0 346.431 0.855 10 0 ECAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)C3(O)CCSCC3)CCO2)n1 ZINC000163947513 609695892 /nfs/dbraw/zinc/69/58/92/609695892.db2.gz NAQTWCSXOVZDGT-AWEZNQCLSA-N 0 0 339.461 0.985 10 0 ECAERN Cc1ccc([C@@H]2[C@H](C(=O)NCCC(=O)N(C)C)OCC(=O)N2C)cc1 ZINC000223293909 609709361 /nfs/dbraw/zinc/70/93/61/609709361.db2.gz SHHPZYOUEDAVDH-IAGOWNOFSA-N 0 0 347.415 0.488 10 0 ECAERN CNC(=O)CCNC(=O)[C@H]1CCC(=O)N1Cc1ccc2c(c1)OCO2 ZINC000223349340 609709802 /nfs/dbraw/zinc/70/98/02/609709802.db2.gz FQZPOBADJHVPNI-GFCCVEGCSA-N 0 0 347.371 0.159 10 0 ECAERN C[C@@H](O)C1CCN(CN2C(=O)C[C@H](Cc3cnn(C)c3)C2=O)CC1 ZINC000173896607 609785025 /nfs/dbraw/zinc/78/50/25/609785025.db2.gz IURIQIQUZJPQRJ-DOMZBBRYSA-N 0 0 334.420 0.388 10 0 ECAERN CC[C@@H](C(=O)N1CCc2nnc(CNC(C)=O)n2CC1)n1cccn1 ZINC000067934777 609838566 /nfs/dbraw/zinc/83/85/66/609838566.db2.gz BHYHPTLQRUTKQG-ZDUSSCGKSA-N 0 0 345.407 0.147 10 0 ECAERN CCOc1ccnc(N2CCN(Cn3ncn(C)c3=S)CC2)n1 ZINC000152678150 609872621 /nfs/dbraw/zinc/87/26/21/609872621.db2.gz DSCHICKTTPPMJU-UHFFFAOYSA-N 0 0 335.437 0.919 10 0 ECAERN O=C([C@@H]1CCCn2cc(C(F)(F)F)nc21)N1CCOC[C@@H]1CO ZINC000912430608 609955568 /nfs/dbraw/zinc/95/55/68/609955568.db2.gz IAAKBXHBSAPJCG-VHSXEESVSA-N 0 0 333.310 0.999 10 0 ECAERN C[C@@H](C(=O)N1CCOC[C@@H]1CO)S(=O)(=O)c1ccc(F)cc1 ZINC000912420383 609957361 /nfs/dbraw/zinc/95/73/61/609957361.db2.gz BGLAZHUAXZTWDF-JQWIXIFHSA-N 0 0 331.365 0.208 10 0 ECAERN CN(C)[C@H](C(=O)N1CC[C@@H](n2cc(C3CC3)nn2)C1)c1cncn1C ZINC000912942425 610023153 /nfs/dbraw/zinc/02/31/53/610023153.db2.gz YVLINFWKHPBMQP-CJNGLKHVSA-N 0 0 343.435 0.965 10 0 ECAERN C[C@H]1CN(C(=S)NCc2ccc(S(N)(=O)=O)cc2)C[C@H](C)O1 ZINC000244005289 610443586 /nfs/dbraw/zinc/44/35/86/610443586.db2.gz SHOZCFLXPHJBIN-QWRGUYRKSA-N 0 0 343.474 0.818 10 0 ECAERN COC[C@]1(C)CC(=O)N(CN2CCO[C@@H](Cn3cc(C)cn3)C2)C1 ZINC000245422098 612576701 /nfs/dbraw/zinc/57/67/01/612576701.db2.gz OVSOCSGDOABBAG-NVXWUHKLSA-N 0 0 336.436 0.735 10 0 ECAERN Cc1cc(C)n(C[C@@H]2CN(CC(=O)N3CCO[C@@H](C)C3)CCO2)n1 ZINC000247114280 612806362 /nfs/dbraw/zinc/80/63/62/612806362.db2.gz JEPYNAPUZVFQCT-HOTGVXAUSA-N 0 0 336.436 0.448 10 0 ECAERN C[C@@H](NC(=O)c1cc(Br)c[nH+]c1NN)c1nn[n-]n1 ZINC000051115889 214078440 /nfs/dbraw/zinc/07/84/40/214078440.db2.gz IGGBANLICRLXFQ-SCSAIBSYSA-N 0 0 327.146 0.134 10 0 ECAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1nc2nccc(C)n2n1 ZINC000151291786 529750039 /nfs/dbraw/zinc/75/00/39/529750039.db2.gz HIQDPULTJOKTKV-JTQLQIEISA-N 0 0 326.364 0.852 10 0 ECAERN CN1CCO[C@H](CNC(=O)Nc2ccnn2Cc2ccccn2)C1 ZINC000181131196 529789583 /nfs/dbraw/zinc/78/95/83/529789583.db2.gz USEURRNCXMDTOM-CQSZACIVSA-N 0 0 330.392 0.779 10 0 ECAERN CN1CCc2ccc(NC(=O)C(=O)N3CC(NC(=O)C4CC4)C3)cc21 ZINC000187984723 529812967 /nfs/dbraw/zinc/81/29/67/529812967.db2.gz BLYKIHKXWGNALW-UHFFFAOYSA-N 0 0 342.399 0.354 10 0 ECAERN CC(=O)N1CCN([C@@H]2CC(=O)N(c3ccc(O)cc3C)C2=O)CC1 ZINC000100857188 219109269 /nfs/dbraw/zinc/10/92/69/219109269.db2.gz SYQPTFIDKHLUOE-OAHLLOKOSA-N 0 0 331.372 0.497 10 0 ECAERN CC(=O)N[C@H]1CCCN(C(=O)NCC(=O)N2CCc3ccccc32)C1 ZINC000101946121 219174685 /nfs/dbraw/zinc/17/46/85/219174685.db2.gz DLQXHMFHSAJLQM-HNNXBMFYSA-N 0 0 344.415 0.886 10 0 ECAERN CC(C)CC(=O)N[C@H](C(=O)N1CCCN(C(N)=O)CC1)C(C)C ZINC000102187133 219190583 /nfs/dbraw/zinc/19/05/83/219190583.db2.gz HXABANJXYDSQNX-AWEZNQCLSA-N 0 0 326.441 0.786 10 0 ECAERN COCCNC(=O)NCCS(=O)(=O)N1CCc2ccccc21 ZINC000044455310 213626258 /nfs/dbraw/zinc/62/62/58/213626258.db2.gz MFGGLSDQJVDOPP-UHFFFAOYSA-N 0 0 327.406 0.325 10 0 ECAERN Cc1cccc(CN2CCC[C@](O)(CN3CCNC(=O)C3)C2=O)c1 ZINC000067673975 215178818 /nfs/dbraw/zinc/17/88/18/215178818.db2.gz TWXPEMLPLYWWRF-SFHVURJKSA-N 0 0 331.416 0.280 10 0 ECAERN O=C1CN(C[C@@]2(O)CCCN(CCCc3ccccc3)C2=O)CCN1 ZINC000067856660 215233661 /nfs/dbraw/zinc/23/36/61/215233661.db2.gz DDBYUZCTRZLYKZ-IBGZPJMESA-N 0 0 345.443 0.405 10 0 ECAERN Cn1cnc(S(=O)(=O)N2CCC[C@@H](Cn3cncn3)C2)c1Cl ZINC000180975859 234049200 /nfs/dbraw/zinc/04/92/00/234049200.db2.gz LWUQRPXYQXBQLU-JTQLQIEISA-N 0 0 344.828 0.766 10 0 ECAERN NC(=O)[C@H]1COCCN1C(=O)c1cccc(F)c1Br ZINC000129683698 303333938 /nfs/dbraw/zinc/33/39/38/303333938.db2.gz ACHBLWJNJODMMZ-SECBINFHSA-N 0 0 331.141 0.915 10 0 ECAERN Cc1ccc([C@H](C)NCC(=O)NCCCN(C)S(C)(=O)=O)o1 ZINC000182598545 234684951 /nfs/dbraw/zinc/68/49/51/234684951.db2.gz DLJLVXODTQCHCN-LBPRGKRZSA-N 0 0 331.438 0.636 10 0 ECAERN COCC(=O)NC1CN(C(=O)c2cn(C)nc2-c2cccs2)C1 ZINC000186312586 235874168 /nfs/dbraw/zinc/87/41/68/235874168.db2.gz RRWFHSUUIOMSLV-UHFFFAOYSA-N 0 0 334.401 0.736 10 0 ECAERN CC(C)(C)OC(=O)[C@H]1CN(S(=O)(=O)c2ccc(N)cc2)CCN1 ZINC000035565051 213038895 /nfs/dbraw/zinc/03/88/95/213038895.db2.gz GIJANIDMKAGOLB-CYBMUJFWSA-N 0 0 341.433 0.573 10 0 ECAERN O=C(Cn1cc(Br)ccc1=O)N1CCCC[C@@H]1CO ZINC000035238272 213015993 /nfs/dbraw/zinc/01/59/93/213015993.db2.gz QQNWOFHXDBVJSP-LLVKDONJSA-N 0 0 329.194 0.984 10 0 ECAERN CS(=O)(=O)CCNS(=O)(=O)c1cc(N)cc(Cl)c1F ZINC000037750221 213164062 /nfs/dbraw/zinc/16/40/62/213164062.db2.gz DBIRIYMHCDSYQV-UHFFFAOYSA-N 0 0 330.790 0.384 10 0 ECAERN COc1cc(Br)cc(C)c1NC(=O)[C@H](N)CC(N)=O ZINC000037767024 213166048 /nfs/dbraw/zinc/16/60/48/213166048.db2.gz ITQNWTUPTFYVKW-MRVPVSSYSA-N 0 0 330.182 0.907 10 0 ECAERN COCCn1cc(NC(=O)C(=O)N2CCCC[C@@H]2c2cn[nH]c2)cn1 ZINC000190158513 238256299 /nfs/dbraw/zinc/25/62/99/238256299.db2.gz PTAVWOQMLQNURS-CQSZACIVSA-N 0 0 346.391 0.945 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000194120247 240443126 /nfs/dbraw/zinc/44/31/26/240443126.db2.gz ZVFLSELHVRMLPN-GFCCVEGCSA-N 0 0 340.811 0.589 10 0 ECAERN COC(=O)CN(CC(=O)OC)S(=O)(=O)CCCC(F)(F)F ZINC000212012027 241086186 /nfs/dbraw/zinc/08/61/86/241086186.db2.gz VJZDAQORAAKFEP-UHFFFAOYSA-N 0 0 335.300 0.307 10 0 ECAERN Cc1nc(CN2CCCN(C(=O)C3=NN(C)C(=O)CC3)CC2)no1 ZINC000109923315 220003277 /nfs/dbraw/zinc/00/32/77/220003277.db2.gz KEVZHAHEBMARRF-UHFFFAOYSA-N 0 0 334.380 0.021 10 0 ECAERN C[C@H](O)CN1CCN(S(=O)(=O)c2ncn(C)c2Cl)C[C@@H]1C ZINC000246093582 243194686 /nfs/dbraw/zinc/19/46/86/243194686.db2.gz KPZZQDUPRNGJDT-UWVGGRQHSA-N 0 0 336.845 0.149 10 0 ECAERN COC(=O)c1ncn([C@@H]2O[C@H](COC(C)=O)[C@@H]3OC(C)(C)O[C@@H]23)n1 ZINC000077301466 216867539 /nfs/dbraw/zinc/86/75/39/216867539.db2.gz QEPMHZGGDGDYIX-DTHBNOIPSA-N 0 0 341.320 0.045 10 0 in-vitro ECAERN C[C@@H](CNC(=O)Cn1nnc(-c2ccccc2)n1)N1CCOCC1 ZINC000019657635 212054676 /nfs/dbraw/zinc/05/46/76/212054676.db2.gz SDIQSWJYABOMCK-ZDUSSCGKSA-N 0 0 330.392 0.177 10 0 ECAERN O=C(NCc1ccccc1)[C@H]1CCCN1S(=O)(=O)c1c[nH]cn1 ZINC000015864063 211862863 /nfs/dbraw/zinc/86/28/63/211862863.db2.gz QDXLTQPQUDPXBC-CYBMUJFWSA-N 0 0 334.401 0.879 10 0 ECAERN C[C@H](CNC(=O)c1ccccc1Cn1cncn1)N1CCOCC1 ZINC000079506480 217237128 /nfs/dbraw/zinc/23/71/28/217237128.db2.gz FKZGDRJHTDLOLE-CQSZACIVSA-N 0 0 329.404 0.777 10 0 ECAERN Cc1cc(C)n(C[C@H]2CN(C(=O)NCCn3ccnc3)CCO2)n1 ZINC000111785814 220190388 /nfs/dbraw/zinc/19/03/88/220190388.db2.gz JZOHSYXAUASTOD-OAHLLOKOSA-N 0 0 332.408 0.807 10 0 ECAERN Cn1cc(CCCNC(=O)N2CCO[C@@H](Cn3cccn3)C2)cn1 ZINC000111851938 220207003 /nfs/dbraw/zinc/20/70/03/220207003.db2.gz DQJIHPSHABBJNP-OAHLLOKOSA-N 0 0 332.408 0.660 10 0 ECAERN Cc1cnn(C[C@H]2CN(C(=O)[C@H](C)NC(=O)c3ccco3)CCO2)c1 ZINC000112066548 220237033 /nfs/dbraw/zinc/23/70/33/220237033.db2.gz HZNYZHLIMUHSPI-UONOGXRCSA-N 0 0 346.387 0.830 10 0 ECAERN Cc1cnn([C@H]2CCCN(C(=O)C3=NN(CCO)C(=O)CC3)C2)c1 ZINC000136960053 223673436 /nfs/dbraw/zinc/67/34/36/223673436.db2.gz BBCLQRPVGKTOIQ-ZDUSSCGKSA-N 0 0 333.392 0.326 10 0 ECAERN C[C@@H]1C(=O)NCCCN1CC(=O)Nc1ccc(C(=O)N(C)C)cc1 ZINC000189337892 296260501 /nfs/dbraw/zinc/26/05/01/296260501.db2.gz UTOKRELMQBNHGF-GFCCVEGCSA-N 0 0 332.404 0.537 10 0 ECAERN Cc1cc(C)n(Cc2cccc(C(=O)N3CCOC[C@H]3C(N)=O)c2)n1 ZINC000091781871 218065228 /nfs/dbraw/zinc/06/52/28/218065228.db2.gz VYJBZRZMWXVMQJ-INIZCTEOSA-N 0 0 342.399 0.875 10 0 ECAERN Cn1cnc(CNC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2ccc(F)cc2)n1 ZINC000091887499 218082973 /nfs/dbraw/zinc/08/29/73/218082973.db2.gz UBVGDNHPKARPPQ-DOMZBBRYSA-N 0 0 331.351 0.790 10 0 ECAERN O=C(NC[C@H](O)CN1CCOCC1)Nc1ccc(-c2cc[nH]n2)cc1 ZINC000092761381 218165083 /nfs/dbraw/zinc/16/50/83/218165083.db2.gz OFKNBHMNGAUJEY-HNNXBMFYSA-N 0 0 345.403 0.891 10 0 ECAERN COc1cc([C@@H]2NC(=O)[C@@H]3COCCN23)c(Br)cc1O ZINC000093885036 218255689 /nfs/dbraw/zinc/25/56/89/218255689.db2.gz KFSGIYSYZRCEIV-JOYOIKCWSA-N 0 0 343.177 0.993 10 0 ECAERN Cn1cccc1C(=O)N[C@H]1C[C@H]2C(=O)Nc3ccccc3C(=O)N2C1 ZINC000008297777 210928743 /nfs/dbraw/zinc/92/87/43/210928743.db2.gz FPMZNRSGAUMJFL-NHYWBVRUSA-N 0 0 338.367 0.990 10 0 ECAERN c1cc(CN2CCOC[C@@]3(CN(c4ncccn4)CCO3)C2)n[nH]1 ZINC000096090297 218586379 /nfs/dbraw/zinc/58/63/79/218586379.db2.gz UEAYSJAKQVQKPT-INIZCTEOSA-N 0 0 330.392 0.308 10 0 ECAERN NC(=O)[C@H]1Cn2ccnc2C2(CCN(C(=O)c3ccncc3)CC2)O1 ZINC000096263086 218730978 /nfs/dbraw/zinc/73/09/78/218730978.db2.gz RIBNZQGUYZFDMA-CYBMUJFWSA-N 0 0 341.371 0.294 10 0 ECAERN O=C(N[C@H]1CCc2ncnn2C1)C1=NN(c2ccccc2)C(=O)CC1 ZINC000112663294 220368391 /nfs/dbraw/zinc/36/83/91/220368391.db2.gz WQBBOIDQDOURST-LBPRGKRZSA-N 0 0 338.371 0.892 10 0 ECAERN CNC(=O)c1cccc(CNC(=O)N[C@@H]2CCc3ncnn3C2)c1 ZINC000112744190 220394443 /nfs/dbraw/zinc/39/44/43/220394443.db2.gz ASHLPYPYFAQTLP-CYBMUJFWSA-N 0 0 328.376 0.452 10 0 ECAERN CCOCCN1CCN(C(=O)[C@@H]2CCCN(C(N)=O)C2)C[C@H]1C ZINC000117276484 221041030 /nfs/dbraw/zinc/04/10/30/221041030.db2.gz POKKDOIQCQPECA-ZIAGYGMSSA-N 0 0 326.441 0.346 10 0 ECAERN CN1CCO[C@@H](CNC(=O)NCC[S@@](=O)Cc2ccccc2)C1 ZINC000116955848 221016149 /nfs/dbraw/zinc/01/61/49/221016149.db2.gz NKTCZLDPALWUDS-WNSKOXEYSA-N 0 0 339.461 0.565 10 0 ECAERN CCOCCN1CCN(C(=O)CNC(=O)Cc2ccccc2)C[C@H]1C ZINC000117275314 221041548 /nfs/dbraw/zinc/04/15/48/221041548.db2.gz OOGXFEINCYDOMZ-MRXNPFEDSA-N 0 0 347.459 0.915 10 0 ECAERN CCOCCN1CCN(C(=O)CCNC(=O)c2ccco2)C[C@H]1C ZINC000117275220 221042393 /nfs/dbraw/zinc/04/23/93/221042393.db2.gz XFHHKMWYLJSARW-CQSZACIVSA-N 0 0 337.420 0.969 10 0 ECAERN Cc1cnn(CCNC(=O)COCC(=O)NCc2cccnc2)c1 ZINC000117809946 221092165 /nfs/dbraw/zinc/09/21/65/221092165.db2.gz IFZUYBNWCMZNOB-UHFFFAOYSA-N 0 0 331.376 0.036 10 0 ECAERN COCCNC(=O)c1ccc(N2CCC[C@H](Cn3cncn3)C2)nc1 ZINC000117866260 221094934 /nfs/dbraw/zinc/09/49/34/221094934.db2.gz AMGIICVMACSDBT-AWEZNQCLSA-N 0 0 344.419 0.966 10 0 ECAERN CC(C)n1nnnc1CNc1ccccc1C(=O)NCCC(N)=O ZINC000117869289 221095789 /nfs/dbraw/zinc/09/57/89/221095789.db2.gz YVVFGTHDHKSZNC-UHFFFAOYSA-N 0 0 331.380 0.471 10 0 ECAERN CN1CCO[C@@H](CNC(=O)C(=O)Nc2cccc(-c3cnco3)c2)C1 ZINC000118115868 221121574 /nfs/dbraw/zinc/12/15/74/221121574.db2.gz BWSOASIIVDRVFP-AWEZNQCLSA-N 0 0 344.371 0.727 10 0 ECAERN CS(=O)(=O)NC[C@H]1CCC2(CN(C(=O)C3CC=CC3)C2)OC1 ZINC000247498778 257681479 /nfs/dbraw/zinc/68/14/79/257681479.db2.gz DVNNWQWNDNIAFL-GFCCVEGCSA-N 0 0 328.434 0.509 10 0 ECAERN CS(=O)(=O)N1CCO[C@H]2CN(C(=O)c3ccccc3)CC[C@H]2C1 ZINC000247511538 257682011 /nfs/dbraw/zinc/68/20/11/257682011.db2.gz ILFZQFPTVCLSCS-GJZGRUSLSA-N 0 0 338.429 0.809 10 0 ECAERN CC(C)Cn1c(=O)c(C(=O)N2CCN(C)CC2)nc2cccnc21 ZINC000065282822 258062724 /nfs/dbraw/zinc/06/27/24/258062724.db2.gz XNYNURNPLQWIQG-UHFFFAOYSA-N 0 0 329.404 0.835 10 0 ECAERN COCCn1ccc(C(=O)N[C@@H]2CCc3nnc(C(C)C)n3C2)n1 ZINC000187529083 533336945 /nfs/dbraw/zinc/33/69/45/533336945.db2.gz YQMPUASEMAGOBD-GFCCVEGCSA-N 0 0 332.408 0.989 10 0 ECAERN C[C@@H](CNC(=O)NCCNC(=O)c1cccs1)N1CCOCC1 ZINC000046261001 296598648 /nfs/dbraw/zinc/59/86/48/296598648.db2.gz PWTITMIZHLPTHL-LBPRGKRZSA-N 0 0 340.449 0.498 10 0 ECAERN Cc1noc(C2CC2)c1NC(=O)C(=O)NC[C@@H](C)N1CCOCC1 ZINC000132347113 296669943 /nfs/dbraw/zinc/66/99/43/296669943.db2.gz XPALSNHIJVOSIH-SNVBAGLBSA-N 0 0 336.392 0.636 10 0 ECAERN Cc1nn(C)c(C)c1OCC(=O)N1CCN(Cc2ccon2)CC1 ZINC000150942513 164724917 /nfs/dbraw/zinc/72/49/17/164724917.db2.gz HJQRMNFKICEWAF-UHFFFAOYSA-N 0 0 333.392 0.748 10 0 ECAERN CCO[C@@H]1C[C@@H](N(C)C(=O)c2cn(CC(N)=O)nn2)C12CCCC2 ZINC000173720852 164859965 /nfs/dbraw/zinc/85/99/65/164859965.db2.gz SYUPKQICQIIMND-CHWSQXEVSA-N 0 0 335.408 0.573 10 0 ECAERN Cc1nc(CN2CCCN(S(=O)(=O)c3cccnc3)CC2)no1 ZINC000173823868 164862870 /nfs/dbraw/zinc/86/28/70/164862870.db2.gz USVYNZGPSLKEHF-UHFFFAOYSA-N 0 0 337.405 0.670 10 0 ECAERN CC(C)c1nnc2n1C[C@@H](NC(=O)NCCN1CCOCC1)CC2 ZINC000181351929 164942997 /nfs/dbraw/zinc/94/29/97/164942997.db2.gz IROBESYSCISEFG-ZDUSSCGKSA-N 0 0 336.440 0.348 10 0 ECAERN COC[C@@H](O)CCNC(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000181720459 164947184 /nfs/dbraw/zinc/94/71/84/164947184.db2.gz LPRZFCWJMDIOBD-NEPJUHHUSA-N 0 0 325.413 0.413 10 0 ECAERN COCC(=O)NC1CN(C(=O)c2sc(-c3cnn(C)c3)nc2C)C1 ZINC000185220508 164969721 /nfs/dbraw/zinc/96/97/21/164969721.db2.gz SEKNTWZKHPXTFD-UHFFFAOYSA-N 0 0 349.416 0.439 10 0 ECAERN O=C(N[C@H]1CCc2ncnn2C1)N1CCSC2(CCOCC2)C1 ZINC000185420846 164972738 /nfs/dbraw/zinc/97/27/38/164972738.db2.gz KHMBCNSIPDFZIJ-LBPRGKRZSA-N 0 0 337.449 0.901 10 0 ECAERN CCO[C@H]1C[C@@H](NC(=O)Cn2nnnc2C(C)C)C12CCOCC2 ZINC000187053295 164987160 /nfs/dbraw/zinc/98/71/60/164987160.db2.gz UKCNXYOQEBNYLJ-OLZOCXBDSA-N 0 0 337.424 0.887 10 0 ECAERN C[C@@H]1C(=O)NCCCN1C(=O)c1cn(Cc2cccc(F)c2)nn1 ZINC000188868955 165003121 /nfs/dbraw/zinc/00/31/21/165003121.db2.gz HJCYQIHOJQRUEB-LLVKDONJSA-N 0 0 331.351 0.816 10 0 ECAERN C[C@H]1C(=O)NCCCN1C(=O)Cn1nc(-c2ccccc2)ccc1=O ZINC000188905452 165003295 /nfs/dbraw/zinc/00/32/95/165003295.db2.gz GTRROTKLSNTZIA-ZDUSSCGKSA-N 0 0 340.383 0.647 10 0 ECAERN CC(C)(C)[S@@](=O)CCNC(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188857352 165003431 /nfs/dbraw/zinc/00/34/31/165003431.db2.gz FTBWVFIDZJGYHK-QFIPXVFZSA-N 0 0 329.466 0.844 10 0 ECAERN COCCn1ccc(C(=O)N2CCCN(c3cccnn3)CC2)n1 ZINC000189716779 165014462 /nfs/dbraw/zinc/01/44/62/165014462.db2.gz YDFRSLOBVWSFGY-UHFFFAOYSA-N 0 0 330.392 0.672 10 0 ECAERN C[C@H]1C(=O)NCCCN1C(=O)C(=O)N1CCCc2ccc(F)cc21 ZINC000190670832 165024185 /nfs/dbraw/zinc/02/41/85/165024185.db2.gz NJFQUDNJALLDPF-NSHDSACASA-N 0 0 333.363 0.842 10 0 ECAERN CC(C)c1nnc2n1CCN(C(=O)NC[C@H]1CN(C)CCO1)[C@@H]2C ZINC000190723772 165024297 /nfs/dbraw/zinc/02/42/97/165024297.db2.gz OTBQPHDAGZAZPB-OLZOCXBDSA-N 0 0 336.440 0.818 10 0 ECAERN CCn1cc([C@H]2CN(CCc3cn(CC(=O)OC)nn3)CCO2)cn1 ZINC000190785152 165025413 /nfs/dbraw/zinc/02/54/13/165025413.db2.gz TULYEAPRKCANAY-OAHLLOKOSA-N 0 0 348.407 0.284 10 0 ECAERN C[C@H]1C(=O)NCCCN1C(=O)NCCN1C(=O)Cc2ccccc21 ZINC000191337991 165031097 /nfs/dbraw/zinc/03/10/97/165031097.db2.gz KOPWAHDVNDWHCB-LBPRGKRZSA-N 0 0 330.388 0.496 10 0 ECAERN CCS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CN(C)CCO2)cc1 ZINC000194599748 165070024 /nfs/dbraw/zinc/07/00/24/165070024.db2.gz AKQCFWXEAQUKHV-CYBMUJFWSA-N 0 0 326.418 0.541 10 0 ECAERN CC(C)S(=O)(=O)c1ccc(C(=O)NC[C@H]2CN(C)CCO2)cc1 ZINC000194751086 165071498 /nfs/dbraw/zinc/07/14/98/165071498.db2.gz HJQMEOFPQZPBOQ-AWEZNQCLSA-N 0 0 340.445 0.929 10 0 ECAERN NS(=O)(=O)Cc1cccc(C(=O)N2CCN3CCCC[C@@H]3C2)c1 ZINC000195190993 165077488 /nfs/dbraw/zinc/07/74/88/165077488.db2.gz RFLDBEYFZMYNLQ-OAHLLOKOSA-N 0 0 337.445 0.785 10 0 ECAERN CC(C)CS(=O)(=O)CC(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000195279715 165079959 /nfs/dbraw/zinc/07/99/59/165079959.db2.gz RVQOLEDNZVRBMX-GFCCVEGCSA-N 0 0 342.465 0.903 10 0 ECAERN CCC(C)(C)NC(=O)[C@@H](C)S(=O)(=O)Cc1nnnn1C(C)C ZINC000195429309 165081289 /nfs/dbraw/zinc/08/12/89/165081289.db2.gz AIGZQNNPDDFWLY-SNVBAGLBSA-N 0 0 331.442 0.862 10 0 ECAERN CC(C)n1nnnc1CS(=O)(=O)CC(=O)N1CCCC[C@H]1C ZINC000195427643 165081853 /nfs/dbraw/zinc/08/18/53/165081853.db2.gz SJNMUIVRTYKIKQ-LLVKDONJSA-N 0 0 329.426 0.570 10 0 ECAERN C[C@@H](C(=O)N(C)CC(=O)NC1CC1)N1CCC(c2ccnn2C)CC1 ZINC000195504605 165085267 /nfs/dbraw/zinc/08/52/67/165085267.db2.gz PYRMXROZLSCZPC-ZDUSSCGKSA-N 0 0 347.463 0.725 10 0 ECAERN C[C@H]1CN(C(=O)NC[C@H]2CN(C)CCO2)CCN1CC(F)(F)F ZINC000245692827 165114048 /nfs/dbraw/zinc/11/40/48/165114048.db2.gz MABIFQHIMDNFAG-RYUDHWBXSA-N 0 0 338.374 0.595 10 0 ECAERN C[C@H]1CN(S(=O)(=O)c2ncn(C)c2Cl)C[C@H]1N1CCOCC1 ZINC000246471262 165136312 /nfs/dbraw/zinc/13/63/12/165136312.db2.gz KKUMCUSGDVBQBY-WDEREUQCSA-N 0 0 348.856 0.415 10 0 ECAERN CCOCCCNC(=O)[C@@H](C)N1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000246798059 165142857 /nfs/dbraw/zinc/14/28/57/165142857.db2.gz AXGVHVNVFYJQQZ-DGCLKSJQSA-N 0 0 325.413 0.418 10 0 ECAERN C[C@@H](NS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1)c1nnc2n1CCCC2 ZINC000246886289 165145982 /nfs/dbraw/zinc/14/59/82/165145982.db2.gz FEISOEMFDZDDCY-IJLUTSLNSA-N 0 0 343.453 0.619 10 0 ECAERN CCn1cc([C@H]2CN([C@H](C)c3nc(N)nc(N(C)C)n3)CCO2)cn1 ZINC000248824346 165186896 /nfs/dbraw/zinc/18/68/96/165186896.db2.gz WOSJTIQRCPLXJM-DGCLKSJQSA-N 0 0 346.439 0.871 10 0 ECAERN CNC(=O)[C@H](NC(=O)CN1CCC[C@@H](NC(C)=O)C1)c1ccccc1 ZINC000249682866 165201569 /nfs/dbraw/zinc/20/15/69/165201569.db2.gz HDUQGSURMVVONI-NVXWUHKLSA-N 0 0 346.431 0.190 10 0 ECAERN NC(=O)[C@H]1CCCN(C(=O)CN2CC[NH2+]C[C@@H]2c2cccc(F)c2)C1 ZINC000261614700 165215485 /nfs/dbraw/zinc/21/54/85/165215485.db2.gz CIQKMGWVWQSBBS-GOEBONIOSA-N 0 0 348.422 0.496 10 0 ECAERN Cc1nsc(N2CCCN(C(=O)[C@H]3NCCO[C@@H]3C)CC2)n1 ZINC000262212473 165308565 /nfs/dbraw/zinc/30/85/65/165308565.db2.gz IXUPJYRDDUVMLH-PWSUYJOCSA-N 0 0 325.438 0.262 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)c2ccc(-n3cncn3)nc2)C1 ZINC000262688840 165375194 /nfs/dbraw/zinc/37/51/94/165375194.db2.gz DITCFQWQJBZLCY-UHFFFAOYSA-N 0 0 344.375 0.330 10 0 ECAERN O=C([O-])C[N@H+](CC1CC1)C1CC(NC(=O)CN2CCCCC2=O)C1 ZINC000262725105 165377870 /nfs/dbraw/zinc/37/78/70/165377870.db2.gz RYFGOGROLSWBSG-UHFFFAOYSA-N 0 0 337.420 0.443 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)c2ccccc2OCC(N)=O)C1 ZINC000262738798 165380948 /nfs/dbraw/zinc/38/09/48/165380948.db2.gz WAZXKWAUSFTPOZ-UHFFFAOYSA-N 0 0 349.387 0.218 10 0 ECAERN CCCc1ncc(C(=O)N2CCO[C@@H](C[N@H+](C)CC(=O)[O-])C2)s1 ZINC000262873129 165396950 /nfs/dbraw/zinc/39/69/50/165396950.db2.gz DFGPUCRXEAUZNN-NSHDSACASA-N 0 0 341.433 0.953 10 0 ECAERN O=C([O-])C[N@H+](CC1CC1)C1CC(NS(=O)(=O)C[C@H]2CCCO2)C1 ZINC000263478260 165448234 /nfs/dbraw/zinc/44/82/34/165448234.db2.gz JYYSHUHRJFEADW-JXQTWKCFSA-N 0 0 346.449 0.412 10 0 ECAERN COCCN1C(=O)N[C@@H]2CN(C(=O)c3cc(Cl)c[nH]3)CC[C@@H]21 ZINC000299742725 296881288 /nfs/dbraw/zinc/88/12/88/296881288.db2.gz ISJPCSZKJKODKG-NEPJUHHUSA-N 0 0 326.784 0.923 10 0 ECAERN Cn1cc([C@]2(C)CN(c3ncccc3S(N)(=O)=O)CCO2)cn1 ZINC000301663300 296889540 /nfs/dbraw/zinc/88/95/40/296889540.db2.gz NJCFIIIOILCHTI-AWEZNQCLSA-N 0 0 337.405 0.215 10 0 ECAERN Cc1cc(C)n(-c2cncc(NC[C@H](O)CN3CCOCC3)n2)n1 ZINC000301742644 296890517 /nfs/dbraw/zinc/89/05/17/296890517.db2.gz VMLIQZYXBMLJLV-AWEZNQCLSA-N 0 0 332.408 0.384 10 0 ECAERN NC(=O)c1ccc(NCCNc2nnnn2-c2ccccc2)nn1 ZINC000301814821 296891762 /nfs/dbraw/zinc/89/17/62/296891762.db2.gz ZJTIWVNAYGJRBV-UHFFFAOYSA-N 0 0 325.336 0.075 10 0 ECAERN O=C(CN1CCN(c2nccn3c2nnc3C2CC2)CC1)NC1CC1 ZINC000302216326 296897077 /nfs/dbraw/zinc/89/70/77/296897077.db2.gz PFEJXCICAMDHJG-UHFFFAOYSA-N 0 0 341.419 0.402 10 0 ECAERN CN(C)C(=O)CNC(=O)N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000120481302 221591648 /nfs/dbraw/zinc/59/16/48/221591648.db2.gz TYSBNLGIFVVPEC-ZWNOBZJWSA-N 0 0 327.331 0.870 10 0 ECAERN Cc1nnc([C@H]2CN(C(=O)NCCCC(C)(C)CO)CCO2)[nH]1 ZINC000122705101 222142334 /nfs/dbraw/zinc/14/23/34/222142334.db2.gz LKXSBKYQJSOAKD-GFCCVEGCSA-N 0 0 325.413 0.995 10 0 ECAERN COCCN1CCN(C(=O)C(=O)Nc2ncc(C)s2)C[C@H]1C ZINC000123758397 222329180 /nfs/dbraw/zinc/32/91/80/222329180.db2.gz IZOPQCYCTOQZRI-SNVBAGLBSA-N 0 0 326.422 0.569 10 0 ECAERN O=C(CNC(=O)[C@@H]1CNC(=O)C1)N1CCC(Cc2ccccc2)CC1 ZINC000174600763 263150702 /nfs/dbraw/zinc/15/07/02/263150702.db2.gz MAIGUQZCPAMBQN-INIZCTEOSA-N 0 0 343.427 0.720 10 0 ECAERN O=C(CNC(=O)c1ccc(F)cc1F)N[C@@H]1CCCn2ncnc21 ZINC000175822797 263152286 /nfs/dbraw/zinc/15/22/86/263152286.db2.gz VFPDRWAZKHKPEX-GFCCVEGCSA-N 0 0 335.314 0.937 10 0 ECAERN C[C@@H](O)CN1CCN(C(=O)C(=O)Nc2ccccc2N(C)C)C[C@@H]1C ZINC000177605102 263153662 /nfs/dbraw/zinc/15/36/62/263153662.db2.gz GVKBTQKIWDZQGB-UONOGXRCSA-N 0 0 348.447 0.605 10 0 ECAERN CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCC1CN(S(C)(=O)=O)C1 ZINC000188585003 263161949 /nfs/dbraw/zinc/16/19/49/263161949.db2.gz JRQCHTJYPBKVSJ-CYBMUJFWSA-N 0 0 332.470 0.004 10 0 ECAERN O=C(NC[C@H](O)CN1CCOCC1)C(=O)c1ccc2c(c1)CCC2 ZINC000194244457 263168722 /nfs/dbraw/zinc/16/87/22/263168722.db2.gz AWHVIXMYSXAPQU-INIZCTEOSA-N 0 0 332.400 0.167 10 0 ECAERN CN1CCN(C(=O)Cc2ccc(NC(=O)[C@H]3CNC(=O)C3)cc2)CC1 ZINC000194819383 263169390 /nfs/dbraw/zinc/16/93/90/263169390.db2.gz RCIJEESUOQDINT-CQSZACIVSA-N 0 0 344.415 0.078 10 0 ECAERN CCc1noc([C@H](C)N2CCN(c3ccc(C(=O)NC)nn3)CC2)n1 ZINC000266848137 263179469 /nfs/dbraw/zinc/17/94/69/263179469.db2.gz PXKMCTGJBUFFJQ-NSHDSACASA-N 0 0 345.407 0.665 10 0 ECAERN CCc1nn(C)c(CC)c1CC(=O)N1CC[C@@](O)(c2cn[nH]n2)C1 ZINC000284814374 264240800 /nfs/dbraw/zinc/24/08/00/264240800.db2.gz NSFDYZZZYLYYBD-INIZCTEOSA-N 0 0 332.408 0.326 10 0 ECAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)N1CCNC(=O)[C@@H]1C(C)C)CC2 ZINC000161557769 278077812 /nfs/dbraw/zinc/07/78/12/278077812.db2.gz IRNBUYHLRIYWNO-OCCSQVGLSA-N 0 0 348.451 0.882 10 0 ECAERN CC(=O)NCCCNC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 ZINC000129841745 278101821 /nfs/dbraw/zinc/10/18/21/278101821.db2.gz VWINIHHUXIJKMC-GDBMZVCRSA-N 0 0 335.379 0.988 10 0 ECAERN Cc1cc(C(=O)N2C[C@@H](C)O[C@H](C)C2)nc2c1c(=O)n(C)c(=O)n2C ZINC000154607311 280340250 /nfs/dbraw/zinc/34/02/50/280340250.db2.gz DJGLUUVGKXAVLA-GHMZBOCLSA-N 0 0 346.387 0.190 10 0 ECAERN CCS(=O)(=O)c1ccccc1C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000189497849 437605291 /nfs/dbraw/zinc/60/52/91/437605291.db2.gz VZLYYKCRZUVUQQ-UHFFFAOYSA-N 0 0 336.413 0.831 10 0 ECAERN C[C@@H]1COC[C@H](C)N1C(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1 ZINC000130876218 288376569 /nfs/dbraw/zinc/37/65/69/288376569.db2.gz YAEBLWUZYFQITF-ZOWXZIJZSA-N 0 0 330.388 0.742 10 0 ECAERN CNC(=O)C1CN(C(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(F)cc2)C1 ZINC000186194547 290359545 /nfs/dbraw/zinc/35/95/45/290359545.db2.gz PMGZZRMQSRUFEV-UKRRQHHQSA-N 0 0 333.363 0.550 10 0 ECAERN CNC(=O)C1CN(C(=O)[C@H]2CCC(=O)N(C)[C@H]2c2ccccc2)C1 ZINC000186128771 290359720 /nfs/dbraw/zinc/35/97/20/290359720.db2.gz NFEVFHRUHWFSFN-HOCLYGCPSA-N 0 0 329.400 0.801 10 0 ECAERN Cc1nc(SCC(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)n[nH]1 ZINC000173417531 293123635 /nfs/dbraw/zinc/12/36/35/293123635.db2.gz DWMCBBUNOBUJGD-ZYHUDNBSSA-N 0 0 325.438 0.384 10 0 ECAERN Cn1cnc(S(=O)(=O)NC2CCC3(CCC(=O)N3C)CC2)c1 ZINC000096075824 294455699 /nfs/dbraw/zinc/45/56/99/294455699.db2.gz INJAWOFNJFYJTH-UHFFFAOYSA-N 0 0 326.422 0.632 10 0 ECAERN O=C(N1CC[C@H](Oc2ccncc2)C1)N1CCS(=O)(=O)CC1 ZINC000333093264 297108783 /nfs/dbraw/zinc/10/87/83/297108783.db2.gz ZYYFTXRKKMLLOI-ZDUSSCGKSA-N 0 0 325.390 0.385 10 0 ECAERN O=C(CN1C(=O)NC2(CCCC2)C1=O)N1CCC[C@H](c2nnc[nH]2)C1 ZINC000333336361 297126070 /nfs/dbraw/zinc/12/60/70/297126070.db2.gz NVUKMTCFXFPQMW-NSHDSACASA-N 0 0 346.391 0.375 10 0 ECAERN O=C(NC[C@@H]1CCCO1)[C@H]1CC(=O)C[C@@H]1C(=O)NC[C@@H]1CCCO1 ZINC000333363000 297128203 /nfs/dbraw/zinc/12/82/03/297128203.db2.gz UQYWOJMABXQTAD-AJNGGQMLSA-N 0 0 338.404 0.172 10 0 ECAERN CC(C)[C@H]1N(C(=O)NCC(=O)N2CCOCC2)C[C@]12CCCO2 ZINC000334011908 297158669 /nfs/dbraw/zinc/15/86/69/297158669.db2.gz VUZRKOLOQMIMJW-GDBMZVCRSA-N 0 0 325.409 0.444 10 0 ECAERN CO[C@@H]1C[C@@H](CO)N(C(=O)[C@@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000345494814 298163657 /nfs/dbraw/zinc/16/36/57/298163657.db2.gz UXXZJESWFVKIHK-HZSPNIEDSA-N 0 0 326.437 0.879 10 0 ECAERN CCOC(=O)[C@@H]1CCCN1C[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000362256324 300176448 /nfs/dbraw/zinc/17/64/48/300176448.db2.gz GAMZMKARDGZHDZ-WFASDCNBSA-N 0 0 346.383 0.671 10 0 ECAERN CN1C[C@@H](NS(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)CC1=O ZINC000363192258 300253367 /nfs/dbraw/zinc/25/33/67/300253367.db2.gz IHFSKJVKSNKERD-PGUXBMHVSA-N 0 0 328.434 0.532 10 0 ECAERN Cn1cnc2c1c1cc(S(=O)(=O)N3CCOCC3)ccc1oc2=O ZINC000008022136 436020420 /nfs/dbraw/zinc/02/04/20/436020420.db2.gz GSNXHMAKVWVZDR-UHFFFAOYSA-N 0 0 349.368 0.701 10 0 ECAERN NC(=O)CN1CCN(C[C@@H](O)COCc2ccc(Cl)cc2)CC1 ZINC000073368279 436075893 /nfs/dbraw/zinc/07/58/93/436075893.db2.gz JYGAPEJLHJJPIS-OAHLLOKOSA-N 0 0 341.839 0.320 10 0 ECAERN C[C@H](NC(=O)N1CCO[C@@H](C(N)=O)C1)c1cccc(-n2ccnc2)c1 ZINC000074875991 436140794 /nfs/dbraw/zinc/14/07/94/436140794.db2.gz ZPHMTWVTSYCAGD-SWLSCSKDSA-N 0 0 343.387 0.829 10 0 ECAERN CN1C(=O)CO[C@H](C(=O)N2CCC[C@](C)(O)C2)[C@@H]1c1ccccc1 ZINC000373044877 301042601 /nfs/dbraw/zinc/04/26/01/301042601.db2.gz HOYIPAXWWGJYKT-BQFCYCMXSA-N 0 0 332.400 0.958 10 0 ECAERN Cc1nnc2sc(NC(=O)CN3C(=O)c4ccccc4C3=O)nn12 ZINC000041108731 436269024 /nfs/dbraw/zinc/26/90/24/436269024.db2.gz ZYJHTMLKLNCINR-UHFFFAOYSA-N 0 0 342.340 0.729 10 0 ECAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)CN1C(=O)c2ccccc2C1=O ZINC000081588400 436352710 /nfs/dbraw/zinc/35/27/10/436352710.db2.gz BBHGKNZBEOJLCO-ZDUSSCGKSA-N 0 0 339.355 0.834 10 0 ECAERN CC(C)NC(=O)Cn1cnc2nc(N3CCOCC3)sc2c1=O ZINC000045970474 436381411 /nfs/dbraw/zinc/38/14/11/436381411.db2.gz XZSVNCKXPKBMHO-UHFFFAOYSA-N 0 0 337.405 0.214 10 0 ECAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)Cn1nc2ccccn2c1=O ZINC000087563149 436399093 /nfs/dbraw/zinc/39/90/93/436399093.db2.gz PHKXFWAOUKCSOK-NSHDSACASA-N 0 0 341.375 0.301 10 0 ECAERN Cc1cc(NC(=O)CN2CCCN(c3ccc(C)nn3)CC2)n(C)n1 ZINC000105801242 436578367 /nfs/dbraw/zinc/57/83/67/436578367.db2.gz MMHAGFODDFLAPT-UHFFFAOYSA-N 0 0 343.435 0.978 10 0 ECAERN CCOC(=O)CN1CCN(c2nc3ccccn3c(=O)c2C=O)CC1 ZINC000096854384 436534838 /nfs/dbraw/zinc/53/48/38/436534838.db2.gz WWZHLERJDUNLJP-UHFFFAOYSA-N 0 0 344.371 0.192 10 0 ECAERN COC(=O)C1CCN(C(=O)[C@H](Cc2ccccc2)n2cnnn2)CC1 ZINC000054457948 436553185 /nfs/dbraw/zinc/55/31/85/436553185.db2.gz JJJYQXMPHKZLLM-HNNXBMFYSA-N 0 0 343.387 0.869 10 0 ECAERN Cc1ncc(CN2CCN(CCC(=O)N3CCOCC3)CC2)s1 ZINC000105814609 436579632 /nfs/dbraw/zinc/57/96/32/436579632.db2.gz CICFPTGPLQKWOC-UHFFFAOYSA-N 0 0 338.477 0.818 10 0 ECAERN O[C@@H](COc1ccccc1)CN1CCN(CCn2cccn2)CC1 ZINC000105819123 436579800 /nfs/dbraw/zinc/57/98/00/436579800.db2.gz FKDIDFLVBNPYNO-QGZVFWFLSA-N 0 0 330.432 0.941 10 0 ECAERN CN1CCO[C@H](CNC(=O)N2CCC[C@H](C(=O)NCC3CC3)C2)C1 ZINC000104797083 436563684 /nfs/dbraw/zinc/56/36/84/436563684.db2.gz WMNAHJJSTQLCGX-LSDHHAIUSA-N 0 0 338.452 0.265 10 0 ECAERN CN1CCO[C@@H](CNC(=O)N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000104799720 436563728 /nfs/dbraw/zinc/56/37/28/436563728.db2.gz NQPYTTZYEFPERO-INIZCTEOSA-N 0 0 336.411 0.988 10 0 ECAERN CCNC(=O)c1ccc(CNC(=O)NC[C@@H]2CN(C)CCO2)cc1 ZINC000104787612 436564168 /nfs/dbraw/zinc/56/41/68/436564168.db2.gz UUWHKAGZWVIIPR-OAHLLOKOSA-N 0 0 334.420 0.566 10 0 ECAERN CC(=O)N1CCC[C@H](C(=O)N2CCCN(c3cccnn3)CC2)C1 ZINC000105810375 436579896 /nfs/dbraw/zinc/57/98/96/436579896.db2.gz JTOHZPXSDFFCHU-HNNXBMFYSA-N 0 0 331.420 0.774 10 0 ECAERN Cn1c(Cl)cnc1CN1CCN(c2ccc3nncn3n2)CC1 ZINC000105816899 436579905 /nfs/dbraw/zinc/57/99/05/436579905.db2.gz XFGBQSZBKVLFKT-UHFFFAOYSA-N 0 0 332.799 0.833 10 0 ECAERN CN1CCO[C@H](CNC(=O)N2CCN(Cc3ccncc3)CC2)C1 ZINC000105283103 436572656 /nfs/dbraw/zinc/57/26/56/436572656.db2.gz YMFJWZJCFAQHDU-MRXNPFEDSA-N 0 0 333.436 0.239 10 0 ECAERN O=C(CCCNC(=O)C1CC1)N1CCCN(c2cccnn2)CC1 ZINC000105810967 436580295 /nfs/dbraw/zinc/58/02/95/436580295.db2.gz RXEVHOFSWLZXED-UHFFFAOYSA-N 0 0 331.420 0.822 10 0 ECAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)CN1C(=O)CN(C)C1=O ZINC000105847957 436581803 /nfs/dbraw/zinc/58/18/03/436581803.db2.gz BUCPMFHSANSIAE-LBPRGKRZSA-N 0 0 333.392 0.594 10 0 ECAERN Cn1cc(CN2CCCN(CC(=O)NCC(F)(F)F)CC2)cn1 ZINC000105869044 436583035 /nfs/dbraw/zinc/58/30/35/436583035.db2.gz WJLKSYUVYKAHBP-UHFFFAOYSA-N 0 0 333.358 0.606 10 0 ECAERN CCCNC(=O)[C@@H](C)N1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000105894347 436584475 /nfs/dbraw/zinc/58/44/75/436584475.db2.gz SVLYPJXOKWDIAG-SJORKVTESA-N 0 0 349.475 0.959 10 0 ECAERN C[C@@H](C(=O)NC[C@H]1CCCO1)N1CCCN(c2cccnn2)CC1 ZINC000105909155 436586428 /nfs/dbraw/zinc/58/64/28/436586428.db2.gz ZREDIBDVMVWNIN-LSDHHAIUSA-N 0 0 333.436 0.672 10 0 ECAERN Cc1ncc(CN2CCN(C[C@@H](O)CN3CCOCC3)CC2)s1 ZINC000105902369 436586748 /nfs/dbraw/zinc/58/67/48/436586748.db2.gz PZFQETNXQZBRSZ-OAHLLOKOSA-N 0 0 340.493 0.262 10 0 ECAERN CN(C)c1nc(N)nc(CN(C)[C@@H]2CCCN(c3cccnn3)C2)n1 ZINC000106077272 436589638 /nfs/dbraw/zinc/58/96/38/436589638.db2.gz AWYIYIZBONBESX-GFCCVEGCSA-N 0 0 343.439 0.411 10 0 ECAERN Cc1noc([C@@H](C)N2CCN(Cc3nc(N)nc(N(C)C)n3)CC2)n1 ZINC000106133465 436589872 /nfs/dbraw/zinc/58/98/72/436589872.db2.gz VQDQOWUOFZJHLE-SNVBAGLBSA-N 0 0 347.427 0.090 10 0 ECAERN C[C@H](c1nc(N)nc(N(C)C)n1)N1CCO[C@H](Cn2cccn2)C1 ZINC000106191532 436589895 /nfs/dbraw/zinc/58/98/95/436589895.db2.gz OJJHFPZCWKBSOK-NEPJUHHUSA-N 0 0 332.412 0.178 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)c2ccnc(-n3cncn3)c2)CC1 ZINC000106395397 436592770 /nfs/dbraw/zinc/59/27/70/436592770.db2.gz JTCNJMPCBSCUNI-CQSZACIVSA-N 0 0 330.392 0.191 10 0 ECAERN CNC(=O)Cn1cc(NC(=O)[C@@H](Cc2ccccc2)N(C)C)cn1 ZINC000106909165 436605706 /nfs/dbraw/zinc/60/57/06/436605706.db2.gz RPYBWSOFQZRLEV-OAHLLOKOSA-N 0 0 329.404 0.741 10 0 ECAERN COc1ccc2c(c1)OC[C@@H](C(=O)N[C@@H]1CCc3ncnn3C1)C2 ZINC000112648798 436632916 /nfs/dbraw/zinc/63/29/16/436632916.db2.gz KXWXBZGTWVCPLZ-QWHCGFSZSA-N 0 0 328.372 0.969 10 0 ECAERN COc1ccc2c(c1)OC[C@H](C(=O)N[C@@H]1CCc3ncnn3C1)C2 ZINC000112648795 436632983 /nfs/dbraw/zinc/63/29/83/436632983.db2.gz KXWXBZGTWVCPLZ-CHWSQXEVSA-N 0 0 328.372 0.969 10 0 ECAERN O=C(CCNC(=O)c1ccsc1)N1CCO[C@H](Cn2cccn2)C1 ZINC000111085776 436629581 /nfs/dbraw/zinc/62/95/81/436629581.db2.gz AERPJFRLKYKBOF-AWEZNQCLSA-N 0 0 348.428 0.992 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)c1ccc(OCC(N)=O)cc1)CC2 ZINC000114866084 436644288 /nfs/dbraw/zinc/64/42/88/436644288.db2.gz RJXDZRVSKHJVBZ-GFCCVEGCSA-N 0 0 343.387 0.449 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)N1CCNC(=O)[C@@H]1C(C)C)CC2 ZINC000114976617 436645559 /nfs/dbraw/zinc/64/55/59/436645559.db2.gz SEGKJNGKSYFBHD-FZMZJTMJSA-N 0 0 334.424 0.321 10 0 ECAERN Cn1cc([C@@H]2CCN(CC(=O)NC(=O)NCc3ccco3)C2)cn1 ZINC000116318685 436650244 /nfs/dbraw/zinc/65/02/44/436650244.db2.gz XQWWIVRLNFXBKS-GFCCVEGCSA-N 0 0 331.376 0.828 10 0 ECAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)C3=NN(C)C(=O)CC3)C2)n1 ZINC000116781241 436651080 /nfs/dbraw/zinc/65/10/80/436651080.db2.gz GCDJKUBNZZNYBG-ZDUSSCGKSA-N 0 0 332.408 0.742 10 0 ECAERN COCCN1CCN(C(=O)C2CCN(c3cnccn3)CC2)C[C@H]1C ZINC000117425185 436658466 /nfs/dbraw/zinc/65/84/66/436658466.db2.gz SWRNJGIGNFBYJQ-OAHLLOKOSA-N 0 0 347.463 0.872 10 0 ECAERN CCc1nnc([C@H]2CN(C(=O)COc3c(C)nn(C)c3C)CCO2)[nH]1 ZINC000150997632 436694151 /nfs/dbraw/zinc/69/41/51/436694151.db2.gz LVBSFJNNSDZBTH-GFCCVEGCSA-N 0 0 348.407 0.696 10 0 ECAERN CCO[C@H](C)c1noc(CN2CCN(Cc3nnc(C)n3C)CC2)n1 ZINC000120738325 436696226 /nfs/dbraw/zinc/69/62/26/436696226.db2.gz BSVRYUORIGEOKR-GFCCVEGCSA-N 0 0 349.439 0.922 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)CNC(=O)c1cccnc1)CC2 ZINC000151671019 436707566 /nfs/dbraw/zinc/70/75/66/436707566.db2.gz IQALAHKOYIDGKC-GFCCVEGCSA-N 0 0 328.376 0.097 10 0 ECAERN CCCOC(=O)c1cc(N)ccc1N1CCN(S(C)(=O)=O)CC1 ZINC000226280436 436712945 /nfs/dbraw/zinc/71/29/45/436712945.db2.gz JXXRECJOCBWJLA-UHFFFAOYSA-N 0 0 341.433 0.917 10 0 ECAERN CC(=O)NCCNC(=O)N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000120183674 436681537 /nfs/dbraw/zinc/68/15/37/436681537.db2.gz GBUDRLVKYVTRGC-BXUZGUMPSA-N 0 0 327.331 0.918 10 0 ECAERN CO[C@@H](C)CS(=O)(=O)N(C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000195268282 436685497 /nfs/dbraw/zinc/68/54/97/436685497.db2.gz NKKPLUCNOAEQIR-QWHCGFSZSA-N 0 0 328.438 0.742 10 0 ECAERN COCCN1CCN(C(=O)C2=C(C)N(C)c3ncnn3[C@@H]2C)C[C@H]1C ZINC000195268510 436685811 /nfs/dbraw/zinc/68/58/11/436685811.db2.gz CUAJNRBGFWIOOC-TZMCWYRMSA-N 0 0 348.451 0.742 10 0 ECAERN C[C@@H]1CCCC[N@@H+]1CCC(=O)N[C@H](CCS(C)(=O)=O)C(=O)[O-] ZINC000245219531 436760362 /nfs/dbraw/zinc/76/03/62/436760362.db2.gz PSNYDUXVRSHRAI-VXGBXAGGSA-N 0 0 334.438 0.255 10 0 ECAERN C[C@@H](NC(=O)c1ccco1)C(=O)N[C@H]1CCCN(c2cccnn2)C1 ZINC000125040070 436762651 /nfs/dbraw/zinc/76/26/51/436762651.db2.gz MRESUHHTUTWNIP-OLZOCXBDSA-N 0 0 343.387 0.973 10 0 ECAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCCCc1c[nH]nc1C ZINC000121461416 436718137 /nfs/dbraw/zinc/71/81/37/436718137.db2.gz ZHDJDXWZOORVCF-CQSZACIVSA-N 0 0 342.465 0.971 10 0 ECAERN COCCn1ccc(NC(=O)C(=O)N2CCN3CCCC[C@H]3C2)n1 ZINC000125559412 436773595 /nfs/dbraw/zinc/77/35/95/436773595.db2.gz OPVXQBNRZITXCJ-ZDUSSCGKSA-N 0 0 335.408 0.165 10 0 ECAERN COC[C@@H](C)S(=O)(=O)N1CCO[C@@H](Cn2nc(C)cc2C)C1 ZINC000246725971 436785068 /nfs/dbraw/zinc/78/50/68/436785068.db2.gz OVWFWHNJYRXHBK-ZIAGYGMSSA-N 0 0 331.438 0.565 10 0 ECAERN O=C1C[C@@H](N2CC[C@@H](N3CCOCC3)C2)C(=O)N1Cc1ccccc1 ZINC000247215011 436790002 /nfs/dbraw/zinc/79/00/02/436790002.db2.gz VQEYINDDTQVJQH-IAGOWNOFSA-N 0 0 343.427 0.721 10 0 ECAERN CC[C@@H](C(=O)N1CCN(CCOC)[C@@H](CC)C1)N1CCCC1=O ZINC000247499254 436794712 /nfs/dbraw/zinc/79/47/12/436794712.db2.gz WZQBGJMMZRUTBU-GJZGRUSLSA-N 0 0 325.453 0.957 10 0 ECAERN CCNC(=O)c1ccc(CNC(=O)N2CCC[C@@H]2C(=O)NC)cc1 ZINC000155662100 436800140 /nfs/dbraw/zinc/80/01/40/436800140.db2.gz OZUFZPZVQGIAGJ-CQSZACIVSA-N 0 0 332.404 0.856 10 0 ECAERN Cc1cccc(OCCC(=O)NC[C@H](O)CN2CCOCC2)c1C ZINC000128979455 436822239 /nfs/dbraw/zinc/82/22/39/436822239.db2.gz UIPMOGVSQBQUNI-INIZCTEOSA-N 0 0 336.432 0.882 10 0 ECAERN Cn1cnc(S(=O)(=O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)c1Cl ZINC000253394524 436841349 /nfs/dbraw/zinc/84/13/49/436841349.db2.gz JUWHCCOLDHNPHM-ZJUUUORDSA-N 0 0 334.829 0.167 10 0 ECAERN CC(C)[C@H](O)CC(=O)N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 ZINC000158989945 436852628 /nfs/dbraw/zinc/85/26/28/436852628.db2.gz SKXDQOWDOGTDQN-GDBMZVCRSA-N 0 0 339.480 0.985 10 0 ECAERN CNC(=O)c1cncc(/C=C\C(=O)N2CCC[C@@H]2C(=O)N(C)C)c1 ZINC000255720994 436854319 /nfs/dbraw/zinc/85/43/19/436854319.db2.gz QNIJEGBRWQJDAK-LMVHVUTASA-N 0 0 330.388 0.534 10 0 ECAERN Cc1nnc([C@H]2CN(C[C@@H]3CCCN(S(C)(=O)=O)C3)CCO2)[nH]1 ZINC000132018870 436858653 /nfs/dbraw/zinc/85/86/53/436858653.db2.gz MEVWZQNEBLDNCO-QWHCGFSZSA-N 0 0 343.453 0.158 10 0 ECAERN CN1C(=O)C[C@@H](C(=O)N2CCS(=O)CC2)[C@H]1c1ccc(F)cc1 ZINC000129814528 436829230 /nfs/dbraw/zinc/82/92/30/436829230.db2.gz LFKPVFVVATWRDN-UKRRQHHQSA-N 0 0 338.404 0.936 10 0 ECAERN CC(C)CS(=O)(=O)CC(=O)N[C@@H]1CCCN(c2cccnn2)C1 ZINC000135279748 436912051 /nfs/dbraw/zinc/91/20/51/436912051.db2.gz ANZLEGAOUKBIHE-CYBMUJFWSA-N 0 0 340.449 0.632 10 0 ECAERN CCOCCS(=O)(=O)NCC(=O)N1CCC[C@@H]1c1ccco1 ZINC000135611479 436920268 /nfs/dbraw/zinc/92/02/68/436920268.db2.gz SZDUWWNRSZEAHN-GFCCVEGCSA-N 0 0 330.406 0.899 10 0 ECAERN C[C@](O)(CNC(=O)N[C@@H]1CCc2ncnn2C1)c1ccc(F)cc1 ZINC000134086194 436888843 /nfs/dbraw/zinc/88/88/43/436888843.db2.gz YSYBKMOXDGRYET-CJNGLKHVSA-N 0 0 333.367 0.939 10 0 ECAERN Cc1nc(C2(NCC(=O)N3CCC[C@H](C(N)=O)C3)CCCC2)no1 ZINC000161573199 436894575 /nfs/dbraw/zinc/89/45/75/436894575.db2.gz IIOXJOHHHCVPCH-LBPRGKRZSA-N 0 0 335.408 0.461 10 0 ECAERN CCC(=O)N1CC[C@H](C(=O)N2CCCN(Cc3noc(C)n3)CC2)C1 ZINC000161974587 436900636 /nfs/dbraw/zinc/90/06/36/436900636.db2.gz LVLSDHLNASQIQX-AWEZNQCLSA-N 0 0 349.435 0.671 10 0 ECAERN CC(C)[C@]1(C)C[C@@H]1NC(=O)N1CCO[C@H](C[N@H+](C)CC(=O)[O-])C1 ZINC000263323000 436962185 /nfs/dbraw/zinc/96/21/85/436962185.db2.gz ASSAUXQMFHBULZ-WWGRRREGSA-N 0 0 327.425 0.848 10 0 ECAERN CC(=O)N[C@@H]1CCCN(C(=O)NCCc2cccc(C(N)=O)c2)C1 ZINC000171084562 436966267 /nfs/dbraw/zinc/96/62/67/436966267.db2.gz DKOMQNYLSQCCCN-OAHLLOKOSA-N 0 0 332.404 0.638 10 0 ECAERN CN1CCO[C@H](CNC(=O)CNC(=O)c2ccc(F)c(F)c2)C1 ZINC000171286421 436976046 /nfs/dbraw/zinc/97/60/46/436976046.db2.gz NXFKPOFLSKHJRG-LLVKDONJSA-N 0 0 327.331 0.141 10 0 ECAERN CN1CCO[C@@H](CNC(=O)c2ccc(-n3cnnn3)cc2Cl)C1 ZINC000171481160 436979902 /nfs/dbraw/zinc/97/99/02/436979902.db2.gz GFPGULBJQVEGHM-NSHDSACASA-N 0 0 336.783 0.376 10 0 ECAERN CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1cc(CC(C)(C)C)nn1C ZINC000166842274 436938944 /nfs/dbraw/zinc/93/89/44/436938944.db2.gz ROBSBBUGYWEDHS-GFCCVEGCSA-N 0 0 349.435 0.684 10 0 ECAERN C[N@@H+](CC(=O)[O-])C[C@@H]1CN(C(=O)CSC(F)(F)F)CCO1 ZINC000262950083 436946532 /nfs/dbraw/zinc/94/65/32/436946532.db2.gz ONEOPXFJBNELHL-MRVPVSSYSA-N 0 0 330.328 0.483 10 0 ECAERN Cc1nc(C[C@H]2CCCN(C(=O)CNC(=O)c3ccccn3)C2)no1 ZINC000172539914 437019700 /nfs/dbraw/zinc/01/97/00/437019700.db2.gz JNNOHSSMWMOJFR-CYBMUJFWSA-N 0 0 343.387 0.984 10 0 ECAERN O=C(c1cccc(-n2cccn2)n1)N1CC[C@@H](N2CCOCC2)C1 ZINC000172745669 437027244 /nfs/dbraw/zinc/02/72/44/437027244.db2.gz VBRMCGGWLRSYLL-CQSZACIVSA-N 0 0 327.388 0.814 10 0 ECAERN O=C(CS(=O)(=O)C1CCCC1)N1CC[C@H](N2CCOCC2)C1 ZINC000172750274 437027682 /nfs/dbraw/zinc/02/76/82/437027682.db2.gz MNDQRIZETBAQOE-ZDUSSCGKSA-N 0 0 330.450 0.277 10 0 ECAERN Cc1cc(C)n2nc(C(=O)N3CC[C@H](N4CCOCC4)C3)nc2n1 ZINC000172757387 437030120 /nfs/dbraw/zinc/03/01/20/437030120.db2.gz HRNHEHKXMYJXJL-ZDUSSCGKSA-N 0 0 330.392 0.288 10 0 ECAERN CCOC(=O)[C@H]1CCCN(C(=O)CN2CCC[C@H](n3cncn3)C2)C1 ZINC000171635499 436984231 /nfs/dbraw/zinc/98/42/31/436984231.db2.gz WUIAVHIUFRBYSD-GJZGRUSLSA-N 0 0 349.435 0.717 10 0 ECAERN Cn1cc([C@@H]2CCN(C(=O)[C@H]3CCCN3S(C)(=O)=O)C2)cn1 ZINC000172262285 437004594 /nfs/dbraw/zinc/00/45/94/437004594.db2.gz IXAXSFVRKDCFHB-DGCLKSJQSA-N 0 0 326.422 0.160 10 0 ECAERN Cc1cnn(CCNC(=O)C(=O)Nc2ccccc2-n2ccnn2)c1 ZINC000172312218 437008357 /nfs/dbraw/zinc/00/83/57/437008357.db2.gz FJRPUBOHGJFYPI-UHFFFAOYSA-N 0 0 339.359 0.527 10 0 ECAERN CC[C@H](C(=O)N1CCCN(c2cccnn2)CC1)N1CCCC1=O ZINC000173153939 437040017 /nfs/dbraw/zinc/04/00/17/437040017.db2.gz BPAJOKWUKRVURT-CQSZACIVSA-N 0 0 331.420 0.916 10 0 ECAERN CCN1CCN(C(=O)[C@@H](C)N2CCO[C@H](c3nnc(C)[nH]3)C2)CC1 ZINC000173352804 437046114 /nfs/dbraw/zinc/04/61/14/437046114.db2.gz DSSJJZBABVUFHM-OCCSQVGLSA-N 0 0 336.440 0.039 10 0 ECAERN O=S(=O)(c1ccc2c(c1)CCC2)N1CC[C@](O)(c2cn[nH]n2)C1 ZINC000284328875 437054103 /nfs/dbraw/zinc/05/41/03/437054103.db2.gz AHMAWUUQLSIZLW-OAHLLOKOSA-N 0 0 334.401 0.576 10 0 ECAERN Cc1nnc([C@@H]2CN(C(=O)CNC(=O)c3ccccc3)CCO2)[nH]1 ZINC000173604758 437057620 /nfs/dbraw/zinc/05/76/20/437057620.db2.gz WUZJCGFXZGUREO-ZDUSSCGKSA-N 0 0 329.360 0.443 10 0 ECAERN CCc1nnc([C@@H]2CN(C(=O)CNC(=O)c3cccs3)CCO2)[nH]1 ZINC000173612565 437059132 /nfs/dbraw/zinc/05/91/32/437059132.db2.gz JWEMKNMJBWBHNP-JTQLQIEISA-N 0 0 349.416 0.759 10 0 ECAERN CCO[C@H]1C[C@H](N(C)C(=O)c2cn(CC(N)=O)nn2)C12CCCC2 ZINC000173720771 437062742 /nfs/dbraw/zinc/06/27/42/437062742.db2.gz SYUPKQICQIIMND-STQMWFEESA-N 0 0 335.408 0.573 10 0 ECAERN CC(C)CCC(=O)NCC(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000173879702 437066994 /nfs/dbraw/zinc/06/69/94/437066994.db2.gz GLOYLLTZEJTIFO-LSDHHAIUSA-N 0 0 325.453 0.718 10 0 ECAERN O=C(NCc1ccc(CO)c(F)c1)N1CC[C@@H](N2CCOCC2)C1 ZINC000173907280 437067536 /nfs/dbraw/zinc/06/75/36/437067536.db2.gz PBUHPBFFZYWVFQ-OAHLLOKOSA-N 0 0 337.395 0.934 10 0 ECAERN CCN(CC)S(=O)(=O)CC(=O)N1CCC[C@H]1c1cnn(C)c1 ZINC000174612342 437082982 /nfs/dbraw/zinc/08/29/82/437082982.db2.gz MJDUYULNABDADC-ZDUSSCGKSA-N 0 0 328.438 0.755 10 0 ECAERN NC(=O)[C@@H]1COCCN1Cc1cc2c(cc1Br)OCO2 ZINC000179733296 303308454 /nfs/dbraw/zinc/30/84/54/303308454.db2.gz VSWORPZJZZUGAZ-JTQLQIEISA-N 0 0 343.177 0.864 10 0 ECAERN COCCN1C(=O)N[C@@H]2CN(Cc3ncnn3C(C)(C)C)CC[C@@H]21 ZINC000299745040 437107075 /nfs/dbraw/zinc/10/70/75/437107075.db2.gz QWJGQYDWLLZGPT-OLZOCXBDSA-N 0 0 336.440 0.648 10 0 ECAERN NC(=O)[C@@H]1CN(Cc2nnnn2-c2ccccc2)C[C@H]1C(F)(F)F ZINC000299742890 437107154 /nfs/dbraw/zinc/10/71/54/437107154.db2.gz JCMTXOJKXWMGRA-GHMZBOCLSA-N 0 0 340.309 0.758 10 0 ECAERN COCCN1C(=O)N[C@@H]2CN(C(=O)c3ccc4[nH]cnc4c3)CC[C@@H]21 ZINC000299746736 437110126 /nfs/dbraw/zinc/11/01/26/437110126.db2.gz ZLNSIADTTMUWCT-CABCVRRESA-N 0 0 343.387 0.818 10 0 ECAERN CCS(=O)(=O)N1CC(CNc2cc(NCC3CC3)ncn2)C1 ZINC000302602012 437146565 /nfs/dbraw/zinc/14/65/65/437146565.db2.gz YQFPTSFRBLQFLX-UHFFFAOYSA-N 0 0 325.438 0.992 10 0 ECAERN C[C@@H]1CN(C(=O)NCCNC(=O)C(C)(C)C)C[C@@H]1N1CCOCC1 ZINC000175740024 437114998 /nfs/dbraw/zinc/11/49/98/437114998.db2.gz FODFVGQONHRSFT-KGLIPLIRSA-N 0 0 340.468 0.511 10 0 ECAERN CNS(=O)(=O)c1ccc(N2CCC[C@@H](C(=O)N(C)C)C2)nc1 ZINC000301240524 437117557 /nfs/dbraw/zinc/11/75/57/437117557.db2.gz MJCYULJELKLZHB-LLVKDONJSA-N 0 0 326.422 0.294 10 0 ECAERN CN(C)c1ccc(S(=O)(=O)N2CCO[C@H]3CCN(C)C[C@H]32)cn1 ZINC000286674254 437117698 /nfs/dbraw/zinc/11/76/98/437117698.db2.gz KTPXZDMMHLMBAG-KGLIPLIRSA-N 0 0 340.449 0.241 10 0 ECAERN COc1ccc(C(=O)NCC(=O)N[C@@H]2CCCn3ncnc32)cc1 ZINC000175822671 437118917 /nfs/dbraw/zinc/11/89/17/437118917.db2.gz CKYHJWIBUFABMY-CYBMUJFWSA-N 0 0 329.360 0.668 10 0 ECAERN COCCN1CCN(C(=O)C(=O)Nc2nc(C)cs2)C[C@H]1C ZINC000176036938 437127287 /nfs/dbraw/zinc/12/72/87/437127287.db2.gz LROJGYPFUHZJFM-LLVKDONJSA-N 0 0 326.422 0.569 10 0 ECAERN CCCc1nnc(N2CCN([C@H]3CCS(=O)(=O)C3)CC2)s1 ZINC000301736314 437132060 /nfs/dbraw/zinc/13/20/60/437132060.db2.gz RHVISMNYSJBNPC-NSHDSACASA-N 0 0 330.479 0.800 10 0 ECAERN CCOc1ccnc(N2CCN(C(=O)CCc3nnc[nH]3)CC2)n1 ZINC000177199901 437174607 /nfs/dbraw/zinc/17/46/07/437174607.db2.gz NHJVGZDDNLAHKN-UHFFFAOYSA-N 0 0 331.380 0.275 10 0 ECAERN C[C@](NC(=O)[C@H]1CNC(=O)C1)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000177394998 437183198 /nfs/dbraw/zinc/18/31/98/437183198.db2.gz SRGRUEJPSIYTNU-XLKFXECMSA-N 0 0 343.305 0.658 10 0 ECAERN Cc1oc(-c2cnn(C)c2)nc1C(=O)N[C@H]1CCc2ncnn2C1 ZINC000177476805 437185819 /nfs/dbraw/zinc/18/58/19/437185819.db2.gz HIWYFIDYLORKIX-NSHDSACASA-N 0 0 327.348 0.720 10 0 ECAERN CC(C)n1nccc1NC(=O)C(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000177653873 437193647 /nfs/dbraw/zinc/19/36/47/437193647.db2.gz KTXZMVVXEGSAGO-ZDUSSCGKSA-N 0 0 346.391 0.527 10 0 ECAERN O=C(Nc1ccc(F)cc1)C(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000177654279 437193965 /nfs/dbraw/zinc/19/39/65/437193965.db2.gz RBUBOKHYEBNKBD-CQSZACIVSA-N 0 0 332.335 0.888 10 0 ECAERN O=C1CCCN1C[C@@H](O)CN(CCN1CCOCC1)c1ccccc1 ZINC000177835663 437199966 /nfs/dbraw/zinc/19/99/66/437199966.db2.gz WUHBMAXGQBGYSR-SFHVURJKSA-N 0 0 347.459 0.809 10 0 ECAERN CNC(=O)[C@H](NC(=O)NC[C@@H]1CCN(CC(F)(F)F)C1)C(C)C ZINC000178435820 437215053 /nfs/dbraw/zinc/21/50/53/437215053.db2.gz IKZJBMNYZLFVBC-WDEREUQCSA-N 0 0 338.374 0.940 10 0 ECAERN CNC(=O)[C@H](NC(=O)Cc1csc(N2CCCC2=O)n1)C(C)C ZINC000178677798 437222679 /nfs/dbraw/zinc/22/26/79/437222679.db2.gz BQXYCQSTPKMDKM-CYBMUJFWSA-N 0 0 338.433 0.699 10 0 ECAERN C[C@H](NC(=O)C(=O)Nc1cnn(Cc2ccncc2)c1)[C@H]1CCCO1 ZINC000178777640 437229294 /nfs/dbraw/zinc/22/92/94/437229294.db2.gz QBORVTDDLMKFFI-SWLSCSKDSA-N 0 0 343.387 0.949 10 0 ECAERN C[N@@H+](CC(=O)[O-])C[C@@H]1CN(C(=O)c2cc3ccccn3c2)CCO1 ZINC000328602856 437237940 /nfs/dbraw/zinc/23/79/40/437237940.db2.gz CZIHSLCWVPVQON-OAHLLOKOSA-N 0 0 331.372 0.797 10 0 ECAERN CCc1noc([C@]2(O)CCN(S(=O)(=O)c3cccs3)C2)n1 ZINC000328608479 437240175 /nfs/dbraw/zinc/24/01/75/437240175.db2.gz AOALGGLOKKGWGP-LBPRGKRZSA-N 0 0 329.403 0.976 10 0 ECAERN Cc1cnn(C[C@H]2CN([C@H]3CCN(C4CCOCC4)C3=O)CCO2)c1 ZINC000328667391 437249189 /nfs/dbraw/zinc/24/91/89/437249189.db2.gz KVPITVWGAVSYLI-SJORKVTESA-N 0 0 348.447 0.672 10 0 ECAERN Cc1cnn(C[C@@H]2CN([C@@H]3CCN(C4CCOCC4)C3=O)CCO2)c1 ZINC000328667388 437249447 /nfs/dbraw/zinc/24/94/47/437249447.db2.gz KVPITVWGAVSYLI-DLBZAZTESA-N 0 0 348.447 0.672 10 0 ECAERN CCc1nnc([C@@H]2CN(C(=O)NCc3cnn(C)c3C)CCO2)[nH]1 ZINC000179344285 437259638 /nfs/dbraw/zinc/25/96/38/437259638.db2.gz QYXPUNNZYCXTPS-LBPRGKRZSA-N 0 0 333.396 0.692 10 0 ECAERN Cc1nccn1C[C@@H]1CCCN1C(=O)NCC(=O)N1CCOCC1 ZINC000179767056 437273411 /nfs/dbraw/zinc/27/34/11/437273411.db2.gz NPTUIJVTMXWLBD-AWEZNQCLSA-N 0 0 335.408 0.224 10 0 ECAERN Cc1nccn1C[C@H]1CCCN1C(=O)NCC(=O)N1CCOCC1 ZINC000179767069 437273630 /nfs/dbraw/zinc/27/36/30/437273630.db2.gz NPTUIJVTMXWLBD-CQSZACIVSA-N 0 0 335.408 0.224 10 0 ECAERN CCc1nn(C)c(OC)c1CNC(=O)NC[C@H]1CN(C)CCO1 ZINC000180332071 437287022 /nfs/dbraw/zinc/28/70/22/437287022.db2.gz GIOYMKJEZOLCDY-NSHDSACASA-N 0 0 325.413 0.121 10 0 ECAERN C[C@@H]1C[N@H+](CC(=O)[N-]OCc2ccccc2)C[C@@H]1N1CCOCC1 ZINC000180536289 437294302 /nfs/dbraw/zinc/29/43/02/437294302.db2.gz BPUCCJRQCNSTCZ-WBVHZDCISA-N 0 0 333.432 0.887 10 0 ECAERN Cc1c(NC(=O)C(=O)NC[C@H]2CN(C)CCO2)cccc1N(C)C ZINC000180588021 437295425 /nfs/dbraw/zinc/29/54/25/437295425.db2.gz BEEZWOOOMDGFJO-ZDUSSCGKSA-N 0 0 334.420 0.446 10 0 ECAERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1c[nH]nc1-c1ccccc1 ZINC000180617886 437295909 /nfs/dbraw/zinc/29/59/09/437295909.db2.gz SMMOUIXAMLUMOX-ZDUSSCGKSA-N 0 0 341.371 0.752 10 0 ECAERN CCCc1cc(NC(=O)C(=O)N2CC[C@@H](N3CCOCC3)C2)n(C)n1 ZINC000180716519 437299922 /nfs/dbraw/zinc/29/99/22/437299922.db2.gz DXDLJXCQCHQQKO-CQSZACIVSA-N 0 0 349.435 0.244 10 0 ECAERN CCCNC(=O)CCNC(=O)N[C@H]1CCc2nnc(C(C)C)n2C1 ZINC000181502684 437322492 /nfs/dbraw/zinc/32/24/92/437322492.db2.gz MICZLDJGKZGYEP-LBPRGKRZSA-N 0 0 336.440 0.932 10 0 ECAERN CCOCCN1CCN(C(=O)c2cnc3c(c2)nnn3C)C[C@@H]1C ZINC000182713356 437361246 /nfs/dbraw/zinc/36/12/46/437361246.db2.gz FWUDYVWBFOIKSM-LBPRGKRZSA-N 0 0 332.408 0.546 10 0 ECAERN Cc1nccc(N2CCN(C(=O)N[C@@H]3CCCn4ncnc43)CC2)n1 ZINC000185035063 437422697 /nfs/dbraw/zinc/42/26/97/437422697.db2.gz XLGAWYFAENSKQK-CYBMUJFWSA-N 0 0 342.407 0.743 10 0 ECAERN Cc1noc([C@@H]2COCCN2Cc2nnnn2-c2ccccc2)n1 ZINC000185076286 437424831 /nfs/dbraw/zinc/42/48/31/437424831.db2.gz BPNQEPFRPYKMBO-ZDUSSCGKSA-N 0 0 327.348 0.927 10 0 ECAERN CN(CCOc1ccccc1F)C(=O)CN1C[C@H](O)C[C@@H]1CO ZINC000185148476 437427872 /nfs/dbraw/zinc/42/78/72/437427872.db2.gz URUXVBDINGSRNY-CHWSQXEVSA-N 0 0 326.368 0.090 10 0 ECAERN COCC(=O)NC1CN(C(=O)N[C@@H](C)Cc2c(C)nn(C)c2C)C1 ZINC000185531894 437443177 /nfs/dbraw/zinc/44/31/77/437443177.db2.gz SMJMHEDYXGRLCZ-JTQLQIEISA-N 0 0 337.424 0.124 10 0 ECAERN CC(C)C(=O)CNS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C ZINC000185931265 437455799 /nfs/dbraw/zinc/45/57/99/437455799.db2.gz XZKOGQZKFAWTBC-UHFFFAOYSA-N 0 0 325.390 0.380 10 0 ECAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)N1CCN(C)C(=O)[C@@H]1C)CC2 ZINC000187192962 437494580 /nfs/dbraw/zinc/49/45/80/437494580.db2.gz VZAZOCGDZLJEII-RYUDHWBXSA-N 0 0 334.424 0.588 10 0 ECAERN C[C@@H](NC(=O)N1CC(NC(=O)C2CC2)C1)C(=O)N1CCCC[C@H]1C ZINC000187165033 437494709 /nfs/dbraw/zinc/49/47/09/437494709.db2.gz KMITUTXOCAGFER-VXGBXAGGSA-N 0 0 336.436 0.696 10 0 ECAERN CCO[C@@H]1C[C@H](NC(=O)Cn2nnnc2C(C)C)C12CCOCC2 ZINC000187053240 437492098 /nfs/dbraw/zinc/49/20/98/437492098.db2.gz UKCNXYOQEBNYLJ-QWHCGFSZSA-N 0 0 337.424 0.887 10 0 ECAERN C[C@@H]1CN(C(=O)[C@@H]2CC(c3cccnc3)=NO2)C[C@H]1N1CCOCC1 ZINC000188422100 437549560 /nfs/dbraw/zinc/54/95/60/437549560.db2.gz OSCZQYDTTPXXLW-XYPHTWIQSA-N 0 0 344.415 0.754 10 0 ECAERN CNC(=O)[C@H](NC(=O)C(=O)Nc1cnn([C@@H](C)C2CC2)c1)C(C)C ZINC000188986183 437580159 /nfs/dbraw/zinc/58/01/59/437580159.db2.gz ZHVHYVAJJZHOJE-GXFFZTMASA-N 0 0 335.408 0.679 10 0 ECAERN CCCCOC[C@H](O)CN1CCN([C@H](C)C(=O)NC2CC2)CC1 ZINC000193368240 437707820 /nfs/dbraw/zinc/70/78/20/437707820.db2.gz RJRKPVMLDDTKNQ-GDBMZVCRSA-N 0 0 327.469 0.449 10 0 ECAERN COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1S(=O)(=O)[C@H](C)C(=O)N(C)C ZINC000365116437 437860504 /nfs/dbraw/zinc/86/05/04/437860504.db2.gz JXTKOXGVUSIQKU-VOAKCMCISA-N 0 0 346.449 0.599 10 0 ECAERN Cn1cc([C@@]2(C)CN(C(=O)N[C@H]3CCc4c[nH]nc4C3)CCO2)cn1 ZINC000372018272 438024566 /nfs/dbraw/zinc/02/45/66/438024566.db2.gz VFWWEIMOGKKMBW-WMLDXEAASA-N 0 0 344.419 0.958 10 0 ECAERN Cn1ccnc1[C@H]1CN(C(=O)CC(=O)NCC(F)(F)F)CCN1C ZINC000372569792 438101709 /nfs/dbraw/zinc/10/17/09/438101709.db2.gz CJMPQSJWNYLAFU-SNVBAGLBSA-N 0 0 347.341 0.304 10 0 ECAERN CO[C@@H]1C[C@@H](CO)N(S(=O)(=O)c2ccc3c(c2)C(=O)OC3)C1 ZINC000367040007 438158825 /nfs/dbraw/zinc/15/88/25/438158825.db2.gz CXMVLUWOYQALQL-WDEREUQCSA-N 0 0 327.358 0.127 10 0 ECAERN O=C1CC[C@H](Nc2cncc(-n3cccn3)n2)[C@@H]([C@@H]2CCCO2)N1 ZINC000368179763 438295518 /nfs/dbraw/zinc/29/55/18/438295518.db2.gz XKORMFAUHVNOTO-MKBNYLNASA-N 0 0 328.376 0.900 10 0 ECAERN COC(=O)c1cc(S(=O)(=O)N2C[C@H]3OCCN(C)[C@H]3C2)c(C)o1 ZINC000377650194 438319584 /nfs/dbraw/zinc/31/95/84/438319584.db2.gz WYDHEXMTNPACQG-CMPLNLGQSA-N 0 0 344.389 0.078 10 0 ECAERN CC(=O)N[C@H]1CCCN(C(=O)N[C@@H]2CCCC[C@H]2S(C)(=O)=O)C1 ZINC000368364816 438321018 /nfs/dbraw/zinc/32/10/18/438321018.db2.gz XRMWOWVFEWXPGS-BFHYXJOUSA-N 0 0 345.465 0.652 10 0 ECAERN O=C1CCCN1C[C@H](O)CN1CCn2c(Br)cnc2C1 ZINC000368507103 438340855 /nfs/dbraw/zinc/34/08/55/438340855.db2.gz HUVCLCSMVALAHE-SNVBAGLBSA-N 0 0 343.225 0.445 10 0 ECAERN Cc1cc(O)cc(=O)n1CC(=O)N(C)C[C@H]1CCc2nccn2C1 ZINC000369637674 438498927 /nfs/dbraw/zinc/49/89/27/438498927.db2.gz JJHBWRGGNMFBOE-CYBMUJFWSA-N 0 0 330.388 0.780 10 0 ECAERN Cn1cc(C(=O)N[C@H]2CC[C@@H](C(F)(F)F)N(C)C2)c(=O)[nH]c1=O ZINC000583619995 439489764 /nfs/dbraw/zinc/48/97/64/439489764.db2.gz HEFRXXQOMLZXES-CBAPKCEASA-N 0 0 334.298 0.241 10 0 ECAERN C[C@H]1CN(C(=O)OC(C)(C)C)CCN1[C@H]1C[NH2+]C[C@H](C(=O)[O-])C1 ZINC000536957217 439540297 /nfs/dbraw/zinc/54/02/97/439540297.db2.gz CMPIPHCAUVTXMR-YNEHKIRRSA-N 0 0 327.425 0.990 10 0 ECAERN CC(=O)NCc1ccc(C(=O)N[C@@H]2C[C@H](O)[C@H]2n2cccn2)cc1 ZINC000616767727 439821875 /nfs/dbraw/zinc/82/18/75/439821875.db2.gz MVJSRWVYRFPJCA-PMPSAXMXSA-N 0 0 328.372 0.624 10 0 ECAERN CN(C)C(=O)C[C@]1(O)CCCN(c2nccc(-c3cnccn3)n2)C1 ZINC000643718010 440279781 /nfs/dbraw/zinc/27/97/81/440279781.db2.gz NVFJYKQFIGRGEE-QGZVFWFLSA-N 0 0 342.403 0.743 10 0 ECAERN CNC(=O)C[C@@H]1CS(=O)(=O)CCN1C(=O)c1ccoc1C1CC1 ZINC000644172272 440461573 /nfs/dbraw/zinc/46/15/73/440461573.db2.gz ZUHOSONOUBRPJI-LLVKDONJSA-N 0 0 340.401 0.532 10 0 ECAERN C[C@@H]1C[C@H](O)CCN1C(=O)Cn1cc(Br)ccc1=O ZINC000633869358 440557933 /nfs/dbraw/zinc/55/79/33/440557933.db2.gz XVMKOMNCJQXVIO-MWLCHTKSSA-N 0 0 329.194 0.983 10 0 ECAERN Cc1cnn(C)c1S(=O)(=O)NC[C@@H]1CCO[C@H]1c1nccn1C ZINC000659991791 440562156 /nfs/dbraw/zinc/56/21/56/440562156.db2.gz CMTDMRDFGUTCNE-NWDGAFQWSA-N 0 0 339.421 0.518 10 0 ECAERN CN(C[C@@H]1CN(C)CCO1)C(=O)c1nn(C)cc1Br ZINC000633918420 440572576 /nfs/dbraw/zinc/57/25/76/440572576.db2.gz SDOMVWRKBYCFPI-VIFPVBQESA-N 0 0 331.214 0.585 10 0 ECAERN O=C(CCCCN1CCOCC1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000171883403 320515779 /nfs/dbraw/zinc/51/57/79/320515779.db2.gz LNPGUCLMQOZSRC-MRXNPFEDSA-N 0 0 336.436 0.613 10 0 ECAERN O=C1[C@H](N2CCN(c3ccc4nncn4n3)CC2)CCN1C1CC1 ZINC000328684099 320727117 /nfs/dbraw/zinc/72/71/17/320727117.db2.gz WOHQGMQHHDHNEP-CYBMUJFWSA-N 0 0 327.392 0.010 10 0 ECAERN C[C@@H](CC(=O)N1CCS(=O)(=O)C[C@H](C)C1)N1CCCCC1=O ZINC000328746067 320730700 /nfs/dbraw/zinc/73/07/00/320730700.db2.gz LCLJVKNUOJIRGR-OLZOCXBDSA-N 0 0 330.450 0.671 10 0 ECAERN C[C@H](CC(=O)N1CCN(Cc2nccn2C)CC1)N1CCCCC1=O ZINC000328782864 320732384 /nfs/dbraw/zinc/73/23/84/320732384.db2.gz VFMXLAYIMYRUEK-OAHLLOKOSA-N 0 0 347.463 0.855 10 0 ECAERN CN(C(=O)N1CC[C@]2(O)CCCC[C@H]2C1)[C@H]1CCS(=O)(=O)C1 ZINC000328843297 320735903 /nfs/dbraw/zinc/73/59/03/320735903.db2.gz QLLQDZWRIDRJIF-KCQAQPDRSA-N 0 0 330.450 0.852 10 0 ECAERN O=C(N1C[C@H](O)C[C@H]1c1ccc(F)cc1)N1CCS(=O)(=O)CC1 ZINC000328917540 320741021 /nfs/dbraw/zinc/74/10/21/320741021.db2.gz KSYMTAZAGFUFTO-KGLIPLIRSA-N 0 0 342.392 0.784 10 0 ECAERN Cc1nc(C(=O)N2C[C@]3(CCCO3)[C@@H]2C(C)C)nn1-c1nc[nH]n1 ZINC000329350553 320767691 /nfs/dbraw/zinc/76/76/91/320767691.db2.gz WVMFSZGJBCHHIV-XHDPSFHLSA-N 0 0 331.380 0.723 10 0 ECAERN CN(C[C@@H]1C[C@H](F)CN1Cc1ncccn1)C(=O)c1cncn1C ZINC000329471846 320774153 /nfs/dbraw/zinc/77/41/53/320774153.db2.gz ZHUGOMUNGRRMPL-STQMWFEESA-N 0 0 332.383 0.895 10 0 ECAERN CN1CCN(CC(=O)NC[C@@H]2Cc3ccccc3N(C)C2)CC1=O ZINC000333393904 320917405 /nfs/dbraw/zinc/91/74/05/320917405.db2.gz ZTHIXGRBKQGGAD-AWEZNQCLSA-N 0 0 330.432 0.185 10 0 ECAERN CO[C@H]1C[C@@H](CO)N(C(=O)CCn2cnc3ccccc3c2=O)C1 ZINC000345244961 321181136 /nfs/dbraw/zinc/18/11/36/321181136.db2.gz CKVFVHOPIGPNRJ-STQMWFEESA-N 0 0 331.372 0.395 10 0 ECAERN CC(=O)N1CCOC[C@@H]1C(=O)NCCOc1ncccc1Cl ZINC000372839791 321787318 /nfs/dbraw/zinc/78/73/18/321787318.db2.gz JHJRSKWNDDMVGZ-GFCCVEGCSA-N 0 0 327.768 0.477 10 0 ECAERN Cn1ccc(CC(=O)N[C@@H]2CC(=O)N(C3CC3)[C@H]2c2cccnc2)n1 ZINC000556755140 322197278 /nfs/dbraw/zinc/19/72/78/322197278.db2.gz MIOYXKCBKVJRCM-QAPCUYQASA-N 0 0 339.399 0.978 10 0 ECAERN Cc1cc(N2CC[C@H](NC(=O)NC[C@@H]3CCCC[C@@H]3O)C2=O)n(C)n1 ZINC000173370244 533905718 /nfs/dbraw/zinc/90/57/18/533905718.db2.gz UVXRANBTQFSGAT-IHRRRGAJSA-N 0 0 349.435 0.684 10 0 ECAERN C[C@@H]1CN(C(=O)Nc2cccc(C(N)=O)c2)C[C@@H]1N1CCOCC1 ZINC000177230941 534357912 /nfs/dbraw/zinc/35/79/12/534357912.db2.gz ADAAPKOQZIDVQA-DOMZBBRYSA-N 0 0 332.404 0.970 10 0 ECAERN O=C(Nc1cccnc1-n1cccn1)C(=O)N[C@H]1CCCC[C@H]1CO ZINC000130629907 534410686 /nfs/dbraw/zinc/41/06/86/534410686.db2.gz CUKDBSUPCJYQAC-STQMWFEESA-N 0 0 343.387 0.873 10 0 ECAERN NC(=O)[C@H]1COCCN1C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000187394433 534462848 /nfs/dbraw/zinc/46/28/48/534462848.db2.gz ROCJTNLSYHMZTH-VXGBXAGGSA-N 0 0 347.184 0.808 10 0 ECAERN NC(=O)[C@H]1COCCN1S(=O)(=O)c1cccc(Cl)c1Cl ZINC000183361851 534463747 /nfs/dbraw/zinc/46/37/47/534463747.db2.gz HLBBRSRUOWUZFY-MRVPVSSYSA-N 0 0 339.200 0.868 10 0 ECAERN NC(=O)c1cnn2c1nccc2C(=O)N1CCN2CCCC[C@@H]2C1 ZINC000155099164 534513732 /nfs/dbraw/zinc/51/37/32/534513732.db2.gz YEAITIMVJTYVND-LLVKDONJSA-N 0 0 328.376 0.139 10 0 ECAERN O=C(c1ccc(-n2cnnn2)cc1)N1CCO[C@H](Cn2cccn2)C1 ZINC000171883257 534689147 /nfs/dbraw/zinc/68/91/47/534689147.db2.gz HBHJWSBPMNFUDL-HNNXBMFYSA-N 0 0 339.359 0.400 10 0 ECAERN CC(=O)NC1CN(C(=O)C(=O)Nc2ccnn2Cc2ccc(C)o2)C1 ZINC000191343690 526705609 /nfs/dbraw/zinc/70/56/09/526705609.db2.gz XNKBNTYQIAGIMX-UHFFFAOYSA-N 0 0 345.359 0.118 10 0 ECAERN CC(=O)NC1CN(C(=O)NCCCc2nnc3n2CCCCC3)C1 ZINC000190039509 526708637 /nfs/dbraw/zinc/70/86/37/526708637.db2.gz AOCJEDVGVOCIJO-UHFFFAOYSA-N 0 0 334.424 0.467 10 0 ECAERN NC(=S)c1cccc(CS(=O)(=O)N2CCC(CO)CC2)c1 ZINC000038005256 527120764 /nfs/dbraw/zinc/12/07/64/527120764.db2.gz KFCOYSSLFSSSBF-UHFFFAOYSA-N 0 0 328.459 0.855 10 0 ECAERN CC(C)(C)C(=O)Cn1cc(C(=O)N[C@@H]2CCc3ncnn3C2)nn1 ZINC000174815959 527567197 /nfs/dbraw/zinc/56/71/97/527567197.db2.gz UIAUOISFGNSHFK-SNVBAGLBSA-N 0 0 331.380 0.230 10 0 ECAERN CCNS(=O)(=O)NC[C@H](c1ccc(C)s1)N1CCOCC1 ZINC000175219010 528363714 /nfs/dbraw/zinc/36/37/14/528363714.db2.gz MRCDXRFPEVRRNC-GFCCVEGCSA-N 0 0 333.479 0.874 10 0 ECAERN CC(C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NC(CO)CO ZINC000132443683 529108798 /nfs/dbraw/zinc/10/87/98/529108798.db2.gz PWRBOQBSJBOWNE-ZDUSSCGKSA-N 0 0 328.796 0.564 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)c2cc(Cn3cc(C)cn3)on2)CC1 ZINC000131998954 529228394 /nfs/dbraw/zinc/22/83/94/529228394.db2.gz RUZTYZVFTVGUKX-CQSZACIVSA-N 0 0 347.419 0.757 10 0 ECAERN O=C(CNC(=O)c1ccc(Br)o1)NCC1CC(O)C1 ZINC000091426245 545723127 /nfs/dbraw/zinc/72/31/27/545723127.db2.gz JLLYSURZCYZVAJ-UHFFFAOYSA-N 0 0 331.166 0.659 10 0 ECAERN O=C(NC[C@H](O)CN1CCOCC1)[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000097000979 545728771 /nfs/dbraw/zinc/72/87/71/545728771.db2.gz PEOBFCJWNURSLZ-KSZLIROESA-N 0 0 348.443 0.964 10 0 ECAERN CCc1nc2n(n1)C[C@H](NS(=O)(=O)CC[C@@H]1CCCO1)CC2 ZINC000120692764 545752898 /nfs/dbraw/zinc/75/28/98/545752898.db2.gz VOFRZOYCWAWUNQ-NEPJUHHUSA-N 0 0 328.438 0.644 10 0 ECAERN CCN(C)S(=O)(=O)N1CCN(Cc2cnn(C(C)(C)C)c2)CC1 ZINC000173508366 545867663 /nfs/dbraw/zinc/86/76/63/545867663.db2.gz MMLPXJLVFBZQJN-UHFFFAOYSA-N 0 0 343.497 0.952 10 0 ECAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)[C@H]1CCCN1S(C)(=O)=O ZINC000176673452 545872493 /nfs/dbraw/zinc/87/24/93/545872493.db2.gz AWYLQGLSBFFBDV-GHMZBOCLSA-N 0 0 341.437 0.216 10 0 ECAERN CCNC(=O)NCCNC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O ZINC000586428288 546288397 /nfs/dbraw/zinc/28/83/97/546288397.db2.gz RQYUVXBEFYKKCZ-JTQLQIEISA-N 0 0 332.360 0.106 10 0 ECAERN CCc1nnc2ccc(N3C[C@@H](O)[C@H](Oc4cnn(CC)c4)C3)nn21 ZINC000624420602 546922745 /nfs/dbraw/zinc/92/27/45/546922745.db2.gz NVWAZCGXLDQZHK-CHWSQXEVSA-N 0 0 343.391 0.532 10 0 ECAERN O[C@]1(Cn2ccnn2)CCN(Cc2nc(Cc3ccccc3)no2)C1 ZINC000671553040 548182219 /nfs/dbraw/zinc/18/22/19/548182219.db2.gz GYUQNHZERRZBBB-QGZVFWFLSA-N 0 0 340.387 0.889 10 0 ECAERN O=C(c1ccnn1-c1ccccc1)N1CC[C@](O)(Cn2ccnn2)C1 ZINC000671606265 548204081 /nfs/dbraw/zinc/20/40/81/548204081.db2.gz YGSVAPRVDQPSPI-QGZVFWFLSA-N 0 0 338.371 0.741 10 0 ECAERN C[C@@H](C(=O)N1CCO[C@]2(CCOC2)C1)N1C(=O)c2ccccc2C1=O ZINC000681112750 549223550 /nfs/dbraw/zinc/22/35/50/549223550.db2.gz FXOBQMOSMBKWSM-KPZWWZAWSA-N 0 0 344.367 0.689 10 0 ECAERN NS(=O)(=O)c1ccc(N2CCOCC2=O)c(Br)c1 ZINC000725244651 549729340 /nfs/dbraw/zinc/72/93/40/549729340.db2.gz QLLQGESRGORWLY-UHFFFAOYSA-N 0 0 335.179 0.460 10 0 ECAERN COC(=O)C1CCC(S(=O)(=O)N=S2(=O)CCNCC2)CC1 ZINC000725260983 549730227 /nfs/dbraw/zinc/73/02/27/549730227.db2.gz CSQOSYVLACIUER-UHFFFAOYSA-N 0 0 338.451 0.119 10 0 ECAERN CSc1c2nc3c(=O)nc(N)nc-3[nH]c2sc1[C@@H](O)CO ZINC000014826091 571725481 /nfs/dbraw/zinc/72/54/81/571725481.db2.gz RPUOVNROVSNPBD-VKHMYHEASA-N 0 0 325.375 0.258 10 0 endogenous,in-man ECAERN CC(C)(C)OC(=O)N1CCC2(CC(=O)O[C@@H]2CS(N)(=O)=O)CC1 ZINC000757223204 579460243 /nfs/dbraw/zinc/46/02/43/579460243.db2.gz MYWMRZZODPNCQK-SNVBAGLBSA-N 0 0 348.421 0.608 10 0 ECAERN Cc1ccccc1CNC(=O)CN1CCC[C@](O)(c2cn[nH]n2)C1 ZINC000794048354 578570317 /nfs/dbraw/zinc/57/03/17/578570317.db2.gz KVTKPZZOFVVVES-QGZVFWFLSA-N 0 0 329.404 0.713 10 0 ECAERN COC(=O)[C@@H](CO)NC(=O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C ZINC000208264980 586299578 /nfs/dbraw/zinc/29/95/78/586299578.db2.gz HQWMBMNQIQPYJT-GHMZBOCLSA-N 0 0 332.397 0.576 10 0 ECAERN CN1CCN(C(=O)c2cn([C@@H]3COC[C@H]3O)nn2)Cc2ccccc21 ZINC000888093801 586348470 /nfs/dbraw/zinc/34/84/70/586348470.db2.gz TWXJICYPXUBQRA-HZPDHXFCSA-N 0 0 343.387 0.303 10 0 ECAERN Cc1cc(S(=O)(=O)N2C[C@@H](N(C)C)[C@@H](n3ccnn3)C2)c(C)o1 ZINC000888094423 586349118 /nfs/dbraw/zinc/34/91/18/586349118.db2.gz MAOQUQLEOWDBIX-OLZOCXBDSA-N 0 0 339.421 0.664 10 0 ECAERN CCn1nncc1CNC(=O)c1coc(CN2CC[C@H](OC)C2)n1 ZINC000888095596 586349579 /nfs/dbraw/zinc/34/95/79/586349579.db2.gz TVQPASVHJVGUPW-LBPRGKRZSA-N 0 0 334.380 0.437 10 0 ECAERN CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NS(=O)(=O)c1ncc[n-]1)C2 ZINC000888098209 586349803 /nfs/dbraw/zinc/34/98/03/586349803.db2.gz BINRYEBAOUSCFE-NMKXLXIOSA-N 0 0 328.438 0.168 10 0 ECAERN CCN1CCO[C@@H](CNC(=O)c2ncc(C)o2)[C@@H]1c1cncn1C ZINC000888102808 586350668 /nfs/dbraw/zinc/35/06/68/586350668.db2.gz OAKAMEZTQDEGND-KBPBESRZSA-N 0 0 333.392 0.908 10 0 ECAERN CC[C@@H]1CN(C(=O)c2ccnc3[nH]c(=O)[nH]c32)C[C@@H]1N1CCOCC1 ZINC000900879367 586671991 /nfs/dbraw/zinc/67/19/91/586671991.db2.gz KKXKOKYPAPIOHY-YPMHNXCESA-N 0 0 345.403 0.846 10 0 ECAERN C/C(=C/C(=O)N1CCO[C@@H](c2noc(C)n2)C1)CN1CCOCC1 ZINC000907258702 587030292 /nfs/dbraw/zinc/03/02/92/587030292.db2.gz UZERKPVGXNTLJR-FWLQQBITSA-N 0 0 336.392 0.556 10 0 ECAERN CCn1cc(O[C@@H]2COC[C@@H]2NCc2ccnc(N(C)C)n2)cn1 ZINC000818232028 587415448 /nfs/dbraw/zinc/41/54/48/587415448.db2.gz OLVJWHPSKFVBHX-LSDHHAIUSA-N 0 0 332.408 0.695 10 0 ECAERN Cc1nnc2n1C[C@@H](C(N)=O)N(C(=O)CCc1ccccc1C)C2 ZINC000818350515 587424768 /nfs/dbraw/zinc/42/47/68/587424768.db2.gz SZOMTMJDWOIMRN-AWEZNQCLSA-N 0 0 327.388 0.724 10 0 ECAERN CCc1noc([C@@H](C)N2CCN(S(=O)(=O)N(C)C(C)C)CC2)n1 ZINC000112093475 589577358 /nfs/dbraw/zinc/57/73/58/589577358.db2.gz RDDIUFVYHWJEGD-GFCCVEGCSA-N 0 0 345.469 0.896 10 0 ECAERN CCn1ccnc(N2CC[C@H](c3cc(=O)[nH]c(N(C)C)n3)C2)c1=O ZINC000864312266 590068869 /nfs/dbraw/zinc/06/88/69/590068869.db2.gz HHPKGKDSQNUPQR-NSHDSACASA-N 0 0 330.392 0.819 10 0 ECAERN CN(C[C@@H](O)CN1CCOCC1)S(=O)(=O)/C=C/c1ccccc1 ZINC000125912415 590375119 /nfs/dbraw/zinc/37/51/19/590375119.db2.gz MSDMOHHJWSEKQU-NYUWMOHMSA-N 0 0 340.445 0.612 10 0 ECAERN CCn1cc(C2CCN(Cn3nnc4c(cnn4C)c3=O)CC2)cn1 ZINC000132651651 590655890 /nfs/dbraw/zinc/65/58/90/590655890.db2.gz OSAGJVPMOYHSSG-UHFFFAOYSA-N 0 0 342.407 0.579 10 0 ECAERN CCN1CCN(C(=O)c2cc(C)nc(=O)[nH]2)C[C@H]1c1nccn1C ZINC000886044699 590789183 /nfs/dbraw/zinc/78/91/83/590789183.db2.gz XRAGBDWOXCQWMH-ZDUSSCGKSA-N 0 0 330.392 0.743 10 0 ECAERN CCN1CCO[C@@H](CNC(=O)Cn2cccn2)[C@@H]1c1ccnn1C ZINC000886066140 590789967 /nfs/dbraw/zinc/78/99/67/590789967.db2.gz PTIDVWKHMMARSL-HOCLYGCPSA-N 0 0 332.408 0.195 10 0 ECAERN CO[C@H]1CCCCN(CC(=O)NCc2nnc(C(C)C)n2C)C1=O ZINC000886074715 590790805 /nfs/dbraw/zinc/79/08/05/590790805.db2.gz QHANIRQBXFBFJQ-LBPRGKRZSA-N 0 0 337.424 0.582 10 0 ECAERN CO[C@@H]1CN(C(=O)Cc2ccc3c(c2)OCO3)C[C@H]1c1cn(C)nn1 ZINC000886075623 590791003 /nfs/dbraw/zinc/79/10/03/590791003.db2.gz QRSGEQNNOIOJFV-BLLLJJGKSA-N 0 0 344.371 0.727 10 0 ECAERN O=C(N[C@@H]1C[C@@H](O)C12CCOCC2)c1ccc(-n2ccnn2)cc1 ZINC000828874166 591169897 /nfs/dbraw/zinc/16/98/97/591169897.db2.gz ZUGBDUVZRGJUOD-HUUCEWRRSA-N 0 0 328.372 0.927 10 0 ECAERN C[C@@H](NC(=O)C(=O)Nc1ccc(-n2nccn2)cc1)[C@H]1CCCO1 ZINC000041916023 611432245 /nfs/dbraw/zinc/43/22/45/611432245.db2.gz UEKXYRXYODRLAA-BXUZGUMPSA-N 0 0 329.360 0.890 10 0 ECAERN Cc1cnn(C[C@@H]2CN(C(=O)C(F)(F)C3(O)CCC3)CCO2)c1 ZINC000155916224 611442108 /nfs/dbraw/zinc/44/21/08/611442108.db2.gz QOZHZPPBRGVBBM-LBPRGKRZSA-N 0 0 329.347 0.969 10 0 ECAERN CS(=O)(=O)N1CC[C@H](CNS(=O)(=O)/C=C/c2ccccc2)C1 ZINC000159015378 611452066 /nfs/dbraw/zinc/45/20/66/611452066.db2.gz TUYBZRMGQJCENL-QSYFUGGGSA-N 0 0 344.458 0.858 10 0 ECAERN CNC(=O)C[C@H]1CS(=O)(=O)CCN1CCSc1ccncc1 ZINC000930799372 611465064 /nfs/dbraw/zinc/46/50/64/611465064.db2.gz FHUJWHGREGTMEE-LBPRGKRZSA-N 0 0 343.474 0.409 10 0 ECAERN O=C(c1ccn(CC(F)F)n1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000194094808 608606220 /nfs/dbraw/zinc/60/62/20/608606220.db2.gz OBFUGNSMHZRCOL-LLVKDONJSA-N 0 0 325.319 0.886 10 0 ECAERN COC[C@@]1(C)NC(=O)N(CN2CCC[C@@H]2Cn2ccnc2C)C1=O ZINC000176075313 608782817 /nfs/dbraw/zinc/78/28/17/608782817.db2.gz FGCQSWJACOYKCU-CZUORRHYSA-N 0 0 335.408 0.570 10 0 ECAERN Cc1nn2c(CNS(=O)(=O)c3cn(C)c(C)n3)c(C)nc2s1 ZINC000065217542 608794756 /nfs/dbraw/zinc/79/47/56/608794756.db2.gz BQXKWPAWZZIGBG-UHFFFAOYSA-N 0 0 340.434 0.928 10 0 ECAERN COC(=O)[C@@H]1CC(=O)N(CN2CCC[C@@H](Cn3nc(C)nc3C)C2)C1 ZINC000181376664 609099502 /nfs/dbraw/zinc/09/95/02/609099502.db2.gz LJABYYILVSNCID-HUUCEWRRSA-N 0 0 349.435 0.586 10 0 ECAERN CCc1noc([C@H](C)N2CCN(CN3C[C@@H](OC)CC3=O)CC2)n1 ZINC000189131051 609130098 /nfs/dbraw/zinc/13/00/98/609130098.db2.gz ZUGVHXZRLPDKOA-STQMWFEESA-N 0 0 337.424 0.515 10 0 ECAERN C[C@H](C(=O)N1CCO[C@H](C)[C@H]1C(N)=O)N1Cc2ccccc2C1=O ZINC000908102947 609644264 /nfs/dbraw/zinc/64/42/64/609644264.db2.gz POHPMTWIWVUNMG-GYSYKLTISA-N 0 0 331.372 0.132 10 0 ECAERN Cc1ncc(C(=O)NC[C@@H]2CC(=O)N(C)[C@H]2c2nccn2C)n1C ZINC000908107512 609644460 /nfs/dbraw/zinc/64/44/60/609644460.db2.gz KTHRKOWAMAYCCK-SMDDNHRTSA-N 0 0 330.392 0.411 10 0 ECAERN CC(C)c1nnc([C@H]2CCCCN2C(=O)[C@H]2OCCN(C)C2=O)[nH]1 ZINC000908251111 609648944 /nfs/dbraw/zinc/64/89/44/609648944.db2.gz BEVPBOSECGCCLS-NEPJUHHUSA-N 0 0 335.408 0.839 10 0 ECAERN O=C(N[C@@H]1C[C@H](O)[C@@H]1n1cccn1)[C@@]1(c2ccccc2)CNC(=O)C1 ZINC000909185153 609681534 /nfs/dbraw/zinc/68/15/34/609681534.db2.gz BKLCECHWMXCKIA-CXHZTBPHSA-N 0 0 340.383 0.132 10 0 ECAERN COC(=O)CNC(=O)CCn1c2ccccc2nc(N(C)C)c1=O ZINC000222869525 609705563 /nfs/dbraw/zinc/70/55/63/609705563.db2.gz JVKQTKZQDWAUDT-UHFFFAOYSA-N 0 0 332.360 0.142 10 0 ECAERN CC[C@H](C)[C@H]1Nc2ncnc(N[C@@H]3CCS(=O)(=O)C3)c2NC1=O ZINC000224000864 609716218 /nfs/dbraw/zinc/71/62/18/609716218.db2.gz LBVWLSVAVISRTG-IVZWLZJFSA-N 0 0 339.421 0.854 10 0 ECAERN CCCS(=O)(=O)N1CCC(CCOC)(NC(=O)NCC)CC1 ZINC000169787372 609746163 /nfs/dbraw/zinc/74/61/63/609746163.db2.gz NYTHYZBBRHEONW-UHFFFAOYSA-N 0 0 335.470 0.916 10 0 ECAERN C[C@H]1C[C@H]1NC(=O)Cn1cnc2c(c(Br)nn2C)c1=O ZINC000171046119 609756646 /nfs/dbraw/zinc/75/66/46/609756646.db2.gz NWHXTISRFVTBNO-NKWVEPMBSA-N 0 0 340.181 0.417 10 0 ECAERN Cc1nn(C)c(C)c1CN1CCN(CC(=O)N2CCO[C@H](C)C2)CC1 ZINC000171591765 609762690 /nfs/dbraw/zinc/76/26/90/609762690.db2.gz DNAYGTSLBQEFAN-CQSZACIVSA-N 0 0 349.479 0.402 10 0 ECAERN O=C([C@H]1CC(=O)N(c2ccc(F)c(F)c2)C1)N1CCOC[C@@H]1CO ZINC000912418965 609956833 /nfs/dbraw/zinc/95/68/33/609956833.db2.gz YWAHOYBDPZBSLM-JQWIXIFHSA-N 0 0 340.326 0.537 10 0 ECAERN COc1ccc(C)cc1N1C[C@H](C(=O)N2CCOC[C@@H]2CO)CC1=O ZINC000912426017 609958087 /nfs/dbraw/zinc/95/80/87/609958087.db2.gz AIUAZPKIZLYRRQ-KGLIPLIRSA-N 0 0 348.399 0.576 10 0 ECAERN COC1(OC)CCOC[C@@H]1NC(=O)C1C[C@H]2CSC[C@@H](C1)C2=O ZINC000912857969 610013644 /nfs/dbraw/zinc/01/36/44/610013644.db2.gz ZHZOPZBJQZZNPR-WVMKXHBISA-N 0 0 343.445 0.839 10 0 ECAERN O=C(NC[C@]1(CO)COCCN1)[C@H]1C[C@]12CCOc1ccccc12 ZINC000913186597 610048155 /nfs/dbraw/zinc/04/81/55/610048155.db2.gz JRLXIYXHLOYMCO-JLSDUUJJSA-N 0 0 332.400 0.194 10 0 ECAERN CNC(=O)[C@H](NC(=O)C(=O)Nc1cccc(C(F)(F)F)n1)C(C)C ZINC000190900696 611875871 /nfs/dbraw/zinc/87/58/71/611875871.db2.gz GJDBQFMYXBOIDG-SNVBAGLBSA-N 0 0 346.309 0.926 10 0 ECAERN C[C@@H]1CN(C(=O)c2ccn(CC(F)F)n2)C[C@@H]1N1CCOCC1 ZINC000194223478 612150411 /nfs/dbraw/zinc/15/04/11/612150411.db2.gz GMBGUMXUMABNQL-YPMHNXCESA-N 0 0 328.363 0.941 10 0 ECAERN O=C1CCCN1C[C@H](O)CN1CCOC[C@@H]1C[C@H](O)c1ccccc1 ZINC000246059343 612762767 /nfs/dbraw/zinc/76/27/67/612762767.db2.gz QZPJVFPQMAWDCG-KSZLIROESA-N 0 0 348.443 0.794 10 0 ECAERN CCOC(=O)CN(C)c1ncc(CN2CCC(=O)NC[C@@H]2C)cn1 ZINC000055183155 214285639 /nfs/dbraw/zinc/28/56/39/214285639.db2.gz KFDCZPGWEFZCBV-LBPRGKRZSA-N 0 0 335.408 0.186 10 0 ECAERN CCOC(=O)[C@@]12C(=O)C(=O)N[C@]1(c1ccccc1)[C@@H]1OCCC[C@H]12 ZINC000004665036 210242039 /nfs/dbraw/zinc/24/20/39/210242039.db2.gz FWGNZLPMMZQUBX-AXYPVASZSA-N 0 0 329.352 0.939 10 0 ECAERN C[C@H](NC(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O)[C@@H]1CCCO1 ZINC000174953244 231353343 /nfs/dbraw/zinc/35/33/43/231353343.db2.gz AATFTGRLXMUHHQ-XQQFMLRXSA-N 0 0 335.408 0.782 10 0 ECAERN C[C@H](NC(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O)[C@H]1CCCO1 ZINC000174953276 231353611 /nfs/dbraw/zinc/35/36/11/231353611.db2.gz AATFTGRLXMUHHQ-YNEHKIRRSA-N 0 0 335.408 0.782 10 0 ECAERN Cc1cc(N2CCC[C@@H](NC(=O)COCC(F)(F)F)C2=O)n(C)n1 ZINC000174996966 231362858 /nfs/dbraw/zinc/36/28/58/231362858.db2.gz SHZYYAPCMNMBMQ-SNVBAGLBSA-N 0 0 348.325 0.919 10 0 ECAERN COC[C@H](C)CNC(=O)N[C@@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000176405229 231640570 /nfs/dbraw/zinc/64/05/70/231640570.db2.gz ZTIAPZBMJSBULH-DGCLKSJQSA-N 0 0 337.424 0.806 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)Nc2cccnc2-n2cncn2)CC1 ZINC000181191288 529699646 /nfs/dbraw/zinc/69/96/46/529699646.db2.gz MQSILVUEKIBWDU-ZDUSSCGKSA-N 0 0 345.407 0.583 10 0 ECAERN O=C(NCc1cccnc1-n1cccn1)N[C@H]1CCc2ncnn2C1 ZINC000171867519 295696652 /nfs/dbraw/zinc/69/66/52/295696652.db2.gz RXJHBAHMBWSGAG-ZDUSSCGKSA-N 0 0 338.375 0.673 10 0 ECAERN CCc1nnc(CSc2nnc(-c3n[nH]c4c3CCC4)n2N)n1C ZINC000178314870 529769237 /nfs/dbraw/zinc/76/92/37/529769237.db2.gz HDQQWEYLNWVYFU-UHFFFAOYSA-N 0 0 345.436 0.854 10 0 ECAERN CN(CC(=O)N[C@H]1CCc2ncnn2C1)C(=O)OCc1ccccc1 ZINC000191245692 529837315 /nfs/dbraw/zinc/83/73/15/529837315.db2.gz GOBHRKJTGLFVML-AWEZNQCLSA-N 0 0 343.387 0.978 10 0 ECAERN CNC(=O)CCCN(C)C(=O)N[C@H]1CCc2nnc(C(C)C)n2C1 ZINC000181744626 529850535 /nfs/dbraw/zinc/85/05/35/529850535.db2.gz JOHANUPBQCYFGE-LBPRGKRZSA-N 0 0 336.440 0.884 10 0 ECAERN CNC(=O)[C@@H]1CCCN1C(=O)NCC(=O)N(C)Cc1ccccc1 ZINC000156425364 529902161 /nfs/dbraw/zinc/90/21/61/529902161.db2.gz GFGACYRQEMOGHR-AWEZNQCLSA-N 0 0 332.404 0.565 10 0 ECAERN O=C(CNC(=O)N[C@H]1CCCn2ncnc21)NCCc1ccccc1 ZINC000177362297 231870721 /nfs/dbraw/zinc/87/07/21/231870721.db2.gz HNLGOGJNAPRMFK-AWEZNQCLSA-N 0 0 342.403 0.771 10 0 ECAERN Cc1cc(N2CCC[C@H](NC(=O)c3ccc(C=O)[nH]3)C2=O)n(C)n1 ZINC000177656830 231949600 /nfs/dbraw/zinc/94/96/00/231949600.db2.gz WEDUMVFQJWWJPL-ZDUSSCGKSA-N 0 0 329.360 0.795 10 0 ECAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)Cn1cnc2ccccc2c1=O ZINC000177678174 231955260 /nfs/dbraw/zinc/95/52/60/231955260.db2.gz ZLAGQJARWHHKMM-AWEZNQCLSA-N 0 0 338.371 0.948 10 0 ECAERN COc1cccc(NS(=O)(=O)c2c(C)n(C)c(=O)n(C)c2=O)c1 ZINC000004270176 210156470 /nfs/dbraw/zinc/15/64/70/210156470.db2.gz OUVSHRUQLUBWDZ-UHFFFAOYSA-N 0 0 339.373 0.202 10 0 ECAERN CCOC(=O)[C@H]1CCCN(C(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000004035728 210106706 /nfs/dbraw/zinc/10/67/06/210106706.db2.gz NESVZBRJBHIGEY-OLZOCXBDSA-N 0 0 346.449 0.460 10 0 ECAERN CCS(=O)(=O)N1CCC(C(=O)N2CCC3(CC2)OCCO3)CC1 ZINC000003960169 210095707 /nfs/dbraw/zinc/09/57/07/210095707.db2.gz YYIKPKYPDSYAON-UHFFFAOYSA-N 0 0 346.449 0.414 10 0 ECAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N(CCOC)CC(F)F ZINC000103391887 219295676 /nfs/dbraw/zinc/29/56/76/219295676.db2.gz YKXZNQWXMJEZJN-LLVKDONJSA-N 0 0 342.408 0.931 10 0 ECAERN COCCCNC(=O)[C@H](C)N1CCN(C(=O)N[C@@H]2C[C@@H]2C)CC1 ZINC000103516484 219311693 /nfs/dbraw/zinc/31/16/93/219311693.db2.gz QEXIKNFQVPDBER-MELADBBJSA-N 0 0 326.441 0.263 10 0 ECAERN NS(=O)(=O)c1cccc(NS(=O)(=O)N2CCCCCC2)c1 ZINC000040384093 213294872 /nfs/dbraw/zinc/29/48/72/213294872.db2.gz YPQXHILMOJOHRV-UHFFFAOYSA-N 0 0 333.435 0.867 10 0 ECAERN O=C1C[C@@H]2CS(=O)(=O)C(Br)(Br)[C@@H]2O1 ZINC000040166243 213278062 /nfs/dbraw/zinc/27/80/62/213278062.db2.gz GIDKBQVXENETAH-NQXXGFSBSA-N 0 0 333.985 0.790 10 0 ECAERN COCCCS(=O)(=O)N(C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000128409702 222946790 /nfs/dbraw/zinc/94/67/90/222946790.db2.gz HUABGQHUOFSLDS-CYBMUJFWSA-N 0 0 328.438 0.744 10 0 ECAERN CCOc1ccnc(N2CCN(Cc3nc(CCOC)no3)CC2)n1 ZINC000105868672 219569075 /nfs/dbraw/zinc/56/90/75/219569075.db2.gz TTZOFYXVUWTDNE-UHFFFAOYSA-N 0 0 348.407 0.769 10 0 ECAERN COC(=O)CCNS(=O)(=O)c1cc(Br)ccc1N ZINC000037929867 213174850 /nfs/dbraw/zinc/17/48/50/213174850.db2.gz OQBYROYEANWGTB-UHFFFAOYSA-N 0 0 337.195 0.873 10 0 ECAERN NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(N)cc1Br ZINC000037054002 213131241 /nfs/dbraw/zinc/13/12/41/213131241.db2.gz MDNPCIWUAWMYHH-VIFPVBQESA-N 0 0 348.222 0.670 10 0 ECAERN O=S(=O)(c1cnn(CC(F)F)c1)N1CCC[C@H](n2cncn2)C1 ZINC000186982003 236086061 /nfs/dbraw/zinc/08/60/61/236086061.db2.gz ZIEQAACKFLNGCS-JTQLQIEISA-N 0 0 346.363 0.766 10 0 ECAERN C[C@H]1Cc2cc(S(=O)(=O)N3CC(NC(=O)C4CC4)C3)ccc2O1 ZINC000187917352 236341148 /nfs/dbraw/zinc/34/11/48/236341148.db2.gz OMJVZILKEFWNSD-JTQLQIEISA-N 0 0 336.413 0.909 10 0 ECAERN O=C(NC1CN(S(=O)(=O)Cc2ccc(Cl)nc2)C1)C1CC1 ZINC000187920493 236342218 /nfs/dbraw/zinc/34/22/18/236342218.db2.gz VKUBELCXKVCNCX-UHFFFAOYSA-N 0 0 329.809 0.775 10 0 ECAERN O=C(NC1CN(S(=O)(=O)Cc2noc3ccccc32)C1)C1CC1 ZINC000187920977 236342372 /nfs/dbraw/zinc/34/23/72/236342372.db2.gz MKMUKFLQPVMFRI-UHFFFAOYSA-N 0 0 335.385 0.868 10 0 ECAERN Cc1nn(C)c(Cl)c1S(=O)(=O)N1CC(NC(=O)C2CC2)C1 ZINC000187926965 236343873 /nfs/dbraw/zinc/34/38/73/236343873.db2.gz ULLNIQBJLZLVOO-UHFFFAOYSA-N 0 0 332.813 0.281 10 0 ECAERN O=C(NC1CN(C(=O)c2cn(Cc3cccc(F)c3)nn2)C1)C1CC1 ZINC000189508122 236969534 /nfs/dbraw/zinc/96/95/34/236969534.db2.gz MPFVEHIPYOBTCE-UHFFFAOYSA-N 0 0 343.362 0.816 10 0 ECAERN Cc1nc(CN2CCC[C@](O)(CNS(=O)(=O)N(C)C)CC2)co1 ZINC000072129780 216019990 /nfs/dbraw/zinc/01/99/90/216019990.db2.gz KZDRUMUOBDPMEN-CQSZACIVSA-N 0 0 346.453 0.096 10 0 ECAERN CNC(=O)[C@@H]1CN(C(=O)Cc2ccc(OC)cc2)Cc2cn(C)nc21 ZINC000072345648 216159465 /nfs/dbraw/zinc/15/94/65/216159465.db2.gz FGUBFHQTFLVGDD-OAHLLOKOSA-N 0 0 342.399 0.843 10 0 ECAERN NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cc(Br)ccc1N ZINC000037929255 213173221 /nfs/dbraw/zinc/17/32/21/213173221.db2.gz YIECMQHVRRVUAX-VIFPVBQESA-N 0 0 348.222 0.670 10 0 ECAERN COCc1nc2nnc(-c3ccnc(N4CCOCC4)n3)c(C)n2n1 ZINC000072452528 216239890 /nfs/dbraw/zinc/23/98/90/216239890.db2.gz MDJXTURBEHCHBI-UHFFFAOYSA-N 0 0 342.363 0.268 10 0 ECAERN O=C(Nc1ccc(-n2ccnn2)cc1)C(=O)N[C@H]1CCCC[C@H]1CO ZINC000130645117 223167305 /nfs/dbraw/zinc/16/73/05/223167305.db2.gz GZGHNTDEVQGJMG-WFASDCNBSA-N 0 0 343.387 0.873 10 0 ECAERN Cc1cnn(C[C@@H]2CN(C(=O)NCCOCC(F)F)CCO2)c1 ZINC000191600519 239204119 /nfs/dbraw/zinc/20/41/19/239204119.db2.gz DLHYVHAISWPGKI-LBPRGKRZSA-N 0 0 332.351 0.884 10 0 ECAERN CCn1cc([C@@H]2CN(C(=O)CNC(=O)c3ccccn3)CCO2)cn1 ZINC000191749149 239280438 /nfs/dbraw/zinc/28/04/38/239280438.db2.gz UYDGFSDCFMYQBF-HNNXBMFYSA-N 0 0 343.387 0.628 10 0 ECAERN CC[C@H]1CN(C(=O)C(=O)Nc2ccc(F)cn2)CCN1CCOC ZINC000193278384 240087924 /nfs/dbraw/zinc/08/79/24/240087924.db2.gz ALPHUMXCMGIMRG-ZDUSSCGKSA-N 0 0 338.383 0.728 10 0 ECAERN CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)NCC[C@@H]1CCC(=O)N1 ZINC000242196963 243012014 /nfs/dbraw/zinc/01/20/14/243012014.db2.gz XGMNEUDBMPWARW-QWHCGFSZSA-N 0 0 345.465 0.366 10 0 ECAERN O=c1oc2cc(O[C@@H]3OC[C@H](O)[C@@H](O)[C@H]3O)ccc2c2c1CCC2 ZINC000254848128 244043774 /nfs/dbraw/zinc/04/37/74/244043774.db2.gz CXPNYILRTMRVFZ-CRNXPOROSA-N 0 0 334.324 0.100 10 0 ECAERN C[N@@H+](CC(=O)[O-])C[C@H]1CN(C(=O)C2=Cc3ccccc3OC2)CCO1 ZINC000262948321 245266997 /nfs/dbraw/zinc/26/69/97/245266997.db2.gz OGIORJUXURTEAV-HNNXBMFYSA-N 0 0 346.383 0.706 10 0 ECAERN O=C(Nc1ccc2ncsc2c1)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000177633054 284344896 /nfs/dbraw/zinc/34/48/96/284344896.db2.gz DEKQRNWPYJWGDA-SNVBAGLBSA-N 0 0 342.384 0.958 10 0 ECAERN CCN1C[C@H](C(=O)N2CCO[C@H](Cn3nc(C)cc3C)C2)CC1=O ZINC000110901993 220077910 /nfs/dbraw/zinc/07/79/10/220077910.db2.gz ZAASQYHPWOYJBQ-CABCVRRESA-N 0 0 334.420 0.596 10 0 ECAERN CN1CCO[C@@H](CNC(=O)CNC(=O)N2CCc3ccccc3C2)C1 ZINC000111587824 220168108 /nfs/dbraw/zinc/16/81/08/220168108.db2.gz KMDNTFWNGXNSBT-INIZCTEOSA-N 0 0 346.431 0.201 10 0 ECAERN Cc1ncc(CN2CCN(C(=O)NCC(=O)N(C)C)CC2)s1 ZINC000111803398 220193162 /nfs/dbraw/zinc/19/31/62/220193162.db2.gz LXWAAJORGHWNGA-UHFFFAOYSA-N 0 0 325.438 0.367 10 0 ECAERN CCc1noc([C@@H](C)N2CCN(C(=O)C3=NN(C)C(=O)CC3)CC2)n1 ZINC000112037228 220233595 /nfs/dbraw/zinc/23/35/95/220233595.db2.gz DFZXFAVTNMLJKX-LLVKDONJSA-N 0 0 348.407 0.445 10 0 ECAERN Cc1cc(N2CC[C@@H](Nc3ccc4nnc(C)n4n3)C2=O)n(C)n1 ZINC000266217589 248180510 /nfs/dbraw/zinc/18/05/10/248180510.db2.gz HEYHLAYEGZDQCD-LLVKDONJSA-N 0 0 326.364 0.692 10 0 ECAERN O=C(c1ccc(Br)cc1)N1CC[C@@]2(C1)NC(=O)NC2=O ZINC000083856339 284646032 /nfs/dbraw/zinc/64/60/32/284646032.db2.gz LYEMEYHBUXRUBR-ZDUSSCGKSA-N 0 0 338.161 0.873 10 0 ECAERN COC(CNS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1)OC ZINC000012199761 211318292 /nfs/dbraw/zinc/31/82/92/211318292.db2.gz GZPVJURHWRHNAF-UHFFFAOYSA-N 0 0 342.373 0.237 10 0 ECAERN NC(=O)CN1CCC(C(=O)N2CCOc3ccc(CO)cc3C2)CC1 ZINC000092028573 218106080 /nfs/dbraw/zinc/10/60/80/218106080.db2.gz IOUPRYGDZMTRBR-UHFFFAOYSA-N 0 0 347.415 0.097 10 0 ECAERN NC(=O)[C@@H]1COCCN1Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000092230134 218127484 /nfs/dbraw/zinc/12/74/84/218127484.db2.gz JEDVKCLYXAAQQZ-INIZCTEOSA-N 0 0 343.383 0.896 10 0 ECAERN CCN(C(=O)CN1CCOC[C@@H]1C(N)=O)c1nc2ccccc2s1 ZINC000092229963 218128005 /nfs/dbraw/zinc/12/80/05/218128005.db2.gz UQPUKVQFLPYCGT-GFCCVEGCSA-N 0 0 348.428 0.835 10 0 ECAERN Cc1cc(C(=O)N2CCOC[C@H]2C(N)=O)nn1-c1ccc(C)cc1 ZINC000181026137 291713013 /nfs/dbraw/zinc/71/30/13/291713013.db2.gz GUWMPYJXQSWQCH-HNNXBMFYSA-N 0 0 328.372 0.815 10 0 ECAERN CCC[C@H](NC(=O)Cc1ccccc1)C(=O)NC[C@H]1CN(C)CCO1 ZINC000112195873 220257856 /nfs/dbraw/zinc/25/78/56/220257856.db2.gz MMBHDPGSPFLHCB-IRXDYDNUSA-N 0 0 347.459 0.961 10 0 ECAERN O=C(CN1CC(=O)N2CCC[C@@H]2C1=O)NCCCc1ccccc1 ZINC000009406113 211079071 /nfs/dbraw/zinc/07/90/71/211079071.db2.gz MKQIAVZDOHOASJ-OAHLLOKOSA-N 0 0 329.400 0.569 10 0 ECAERN CC(=O)NCC(=O)N1CCO[C@]2(CCCN(c3ccc(C)nn3)C2)C1 ZINC000096074856 218573151 /nfs/dbraw/zinc/57/31/51/218573151.db2.gz OJLMPQBHZFZVKK-KRWDZBQOSA-N 0 0 347.419 0.119 10 0 ECAERN COCC(=O)NC1CN(CCS(=O)(=O)c2ccc(F)cc2)C1 ZINC000193002884 207768198 /nfs/dbraw/zinc/76/81/98/207768198.db2.gz MSUBDNOLHLAJCR-UHFFFAOYSA-N 0 0 330.381 0.046 10 0 ECAERN CNc1cc(N2CCC[C@@H]2CNC(=O)Nc2ncnn2C)ncn1 ZINC000181258215 533049485 /nfs/dbraw/zinc/04/94/85/533049485.db2.gz QPCZANFUARDSMF-SNVBAGLBSA-N 0 0 331.384 0.437 10 0 ECAERN COCC(=O)NC1CN(S(=O)(=O)Cc2c(F)cccc2F)C1 ZINC000187716008 533064388 /nfs/dbraw/zinc/06/43/88/533064388.db2.gz JOFPMLYPTMILTN-UHFFFAOYSA-N 0 0 334.344 0.241 10 0 ECAERN CCCCC(=O)N1CSC[C@H]1C(=O)N[C@H]1CCc2ncnn2C1 ZINC000112646656 220362577 /nfs/dbraw/zinc/36/25/77/220362577.db2.gz GKNHEPWTGWISRJ-RYUDHWBXSA-N 0 0 337.449 0.801 10 0 ECAERN CCCCCS(=O)(=O)CC(=O)N[C@H]1CCc2nc(CC)nn2C1 ZINC000114863796 220769338 /nfs/dbraw/zinc/76/93/38/220769338.db2.gz RINYWPDOCQIBDW-LBPRGKRZSA-N 0 0 342.465 0.877 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)c1ccc3c(c1)nnn3C)CC2 ZINC000114865120 220769539 /nfs/dbraw/zinc/76/95/39/220769539.db2.gz IRMNINRLXFXAKA-LLVKDONJSA-N 0 0 325.376 0.867 10 0 ECAERN Cc1cnn(CCNC(=O)CCc2c(C)nc3ncnn3c2C)c1 ZINC000117809479 221092008 /nfs/dbraw/zinc/09/20/08/221092008.db2.gz ZOQBOSFTCLABPZ-UHFFFAOYSA-N 0 0 327.392 0.995 10 0 ECAERN Cc1cnn(CCNC(=O)CN(C)S(=O)(=O)c2ccccc2)c1 ZINC000117813619 221092221 /nfs/dbraw/zinc/09/22/21/221092221.db2.gz BENXHTYLUSSCKX-UHFFFAOYSA-N 0 0 336.417 0.628 10 0 ECAERN CCCCS(=O)(=O)N1CCC[C@H]1C(=O)NCCn1cc(C)cn1 ZINC000117811898 221092291 /nfs/dbraw/zinc/09/22/91/221092291.db2.gz DVLIECQDKBDQMA-AWEZNQCLSA-N 0 0 342.465 0.902 10 0 ECAERN Cc1cnn(CCNC(=O)NCc2cccnc2N2CCOCC2)c1 ZINC000118058630 221110812 /nfs/dbraw/zinc/11/08/12/221110812.db2.gz ZNCLGHSCJLGVAV-UHFFFAOYSA-N 0 0 344.419 0.923 10 0 ECAERN Cc1nnnn1[C@H](Cc1ccccc1)C(=O)NC[C@@H]1CN(C)CCO1 ZINC000118323368 221140003 /nfs/dbraw/zinc/14/00/03/221140003.db2.gz RFXXKHFMWLFGNI-HZPDHXFCSA-N 0 0 344.419 0.212 10 0 ECAERN Cc1cnn(CCNC(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)c1 ZINC000118549952 221156318 /nfs/dbraw/zinc/15/63/18/221156318.db2.gz XQQDTUAFQHNNQX-UHFFFAOYSA-N 0 0 341.368 0.800 10 0 ECAERN CN(Cc1cn(C)nc1C(F)(F)F)C(=O)NC[C@H]1CN(C)CCO1 ZINC000119366001 221304911 /nfs/dbraw/zinc/30/49/11/221304911.db2.gz PAWSQDDUUYPAFY-NSHDSACASA-N 0 0 349.357 0.911 10 0 ECAERN CC(=O)OC[C@@H]1O[C@H](OC(C)=O)[C@@H](OC(C)=O)C[C@@H]1OC(C)=O ZINC000253493381 257658540 /nfs/dbraw/zinc/65/85/40/257658540.db2.gz TWQVUVQFUFLAHX-XUXIUFHCSA-N 0 0 332.305 0.091 10 0 ECAERN O=C(N[C@@H]1CN(c2ncccn2)[C@H]2CCCO[C@@H]12)c1cnccn1 ZINC000247423256 257682157 /nfs/dbraw/zinc/68/21/57/257682157.db2.gz RUNLHHFPPNANGT-RDBSUJKOSA-N 0 0 326.360 0.433 10 0 ECAERN COc1c(C)cnc(CN2CCO[C@H](CN(C)CC(N)=O)C2)c1C ZINC000282191469 258012897 /nfs/dbraw/zinc/01/28/97/258012897.db2.gz WOVOAYNLIYPRLF-CQSZACIVSA-N 0 0 336.436 0.325 10 0 ECAERN CN(C)C(=O)CNC(=O)C(=O)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000154449911 296696997 /nfs/dbraw/zinc/69/69/97/296696997.db2.gz KAHGDPRPGPQRMN-NSHDSACASA-N 0 0 345.321 0.481 10 0 ECAERN CNC(=O)[C@H](NC(=O)NCC(C)(C)N1C[C@@H](C)O[C@H](C)C1)C(C)C ZINC000246274282 296732202 /nfs/dbraw/zinc/73/22/02/296732202.db2.gz ZGOXPICIJFWSAP-MGPQQGTHSA-N 0 0 342.484 0.944 10 0 ECAERN CC(C)[C@@H](C)NC(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 ZINC000072083857 164587566 /nfs/dbraw/zinc/58/75/66/164587566.db2.gz KQWKTZBQSIOYIA-CQSZACIVSA-N 0 0 348.451 0.859 10 0 ECAERN CN(Cc1ccc(Cl)s1)C(=O)CN1CCOC[C@H]1C(N)=O ZINC000092228840 164644908 /nfs/dbraw/zinc/64/49/08/164644908.db2.gz MHXQFLYIPMNPIC-JTQLQIEISA-N 0 0 331.825 0.546 10 0 ECAERN O=C(Nc1cc(F)cc(F)c1)C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000174009326 164865410 /nfs/dbraw/zinc/86/54/10/164865410.db2.gz KGLKVDXEMCKESV-AWEZNQCLSA-N 0 0 339.342 0.836 10 0 ECAERN O=C(Cc1cccc(F)c1)N1CCCN(C(=O)[C@@H]2CNC(=O)C2)CC1 ZINC000176798655 164896378 /nfs/dbraw/zinc/89/63/78/164896378.db2.gz YGGKXSJZVDOWHS-AWEZNQCLSA-N 0 0 347.390 0.565 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)C(=O)Nc1cccnc1Cl)CC2 ZINC000179844664 164934411 /nfs/dbraw/zinc/93/44/11/164934411.db2.gz PGAASVIDDAZZMP-SECBINFHSA-N 0 0 348.794 0.959 10 0 ECAERN CN(C)c1ncccc1CNC(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188795156 165001759 /nfs/dbraw/zinc/00/17/59/165001759.db2.gz DSSWNCDKAFIPQU-UHFFFAOYSA-N 0 0 331.420 0.958 10 0 ECAERN O=C(CCNC(=O)N1CC(NC(=O)C2CCC2)C1)N1CCCCC1 ZINC000188794118 165002032 /nfs/dbraw/zinc/00/20/32/165002032.db2.gz RKKYFNFMBZJNST-UHFFFAOYSA-N 0 0 336.436 0.699 10 0 ECAERN C[C@@H](NC(=O)N1CC(NC(=O)C2CCC2)C1)[C@@H](C)N1CCOCC1 ZINC000188842444 165003336 /nfs/dbraw/zinc/00/33/36/165003336.db2.gz WCBPPMLAVLNKDK-CHWSQXEVSA-N 0 0 338.452 0.406 10 0 ECAERN CCS(=O)(=O)c1cccc(CC(=O)N2CCCNC(=O)[C@@H]2C)c1 ZINC000188868511 165003353 /nfs/dbraw/zinc/00/33/53/165003353.db2.gz BOTHDUQXZZIFTB-LBPRGKRZSA-N 0 0 338.429 0.760 10 0 ECAERN C[C@@H]1C(=O)NCCCN1CC(=O)Nc1nnc(C(C)(C)C)s1 ZINC000189304238 165008348 /nfs/dbraw/zinc/00/83/48/165008348.db2.gz PPWDTAVTMBVKMI-SECBINFHSA-N 0 0 325.438 0.985 10 0 ECAERN O=C(NC1CN(C(=O)[C@@H]2CC[C@@H](C(F)(F)F)NC2=O)C1)C1CC1 ZINC000189431012 165010298 /nfs/dbraw/zinc/01/02/98/165010298.db2.gz DXBPYWZCCABOHF-ZJUUUORDSA-N 0 0 333.310 0.181 10 0 ECAERN CN1CCC(=O)Nc2cc(C(=O)N3CC(NC(=O)C4CC4)C3)ccc21 ZINC000189505655 165011902 /nfs/dbraw/zinc/01/19/02/165011902.db2.gz UMHZTNRWGOVRQN-UHFFFAOYSA-N 0 0 342.399 0.816 10 0 ECAERN CN1CCO[C@H](CNC(=O)c2ccc(=O)n(Cc3ccccc3)n2)C1 ZINC000194637917 165068611 /nfs/dbraw/zinc/06/86/11/165068611.db2.gz VQMNMPSKEOMLPG-OAHLLOKOSA-N 0 0 342.399 0.352 10 0 ECAERN O=C(NC1CCN(C(=O)c2ccccc2F)CC1)[C@@H]1CNC(=O)C1 ZINC000194870456 165072028 /nfs/dbraw/zinc/07/20/28/165072028.db2.gz NMAAVLLFJKQYSN-NSHDSACASA-N 0 0 333.363 0.683 10 0 ECAERN CC(C)S(=O)(=O)c1ccc(C(=O)NC[C@@H]2CN(C)CCO2)cc1 ZINC000194751072 165072200 /nfs/dbraw/zinc/07/22/00/165072200.db2.gz HJQMEOFPQZPBOQ-CQSZACIVSA-N 0 0 340.445 0.929 10 0 ECAERN CNS(=O)(=O)c1ccc(C(=O)N2CCN3CCCC[C@H]3C2)cc1 ZINC000195085428 165073696 /nfs/dbraw/zinc/07/36/96/165073696.db2.gz FQGLEWXGZROGLH-AWEZNQCLSA-N 0 0 337.445 0.905 10 0 ECAERN O=C(CN1CCCC[C@@H]1c1nnc2n1CCCC2)N1CCNC(=O)C1 ZINC000195510407 165083977 /nfs/dbraw/zinc/08/39/77/165083977.db2.gz XWYHCFYLZFALKO-CYBMUJFWSA-N 0 0 346.435 0.100 10 0 ECAERN CCn1c(-c2ccc(C(=O)OC)o2)nc2c1c(=O)[nH]c(=O)n2CC ZINC000195512190 165084062 /nfs/dbraw/zinc/08/40/62/165084062.db2.gz SATPKFITZRCWLF-UHFFFAOYSA-N 0 0 332.316 0.973 10 0 ECAERN C[C@H]1C[N@H+](CC(=O)[N-]OCc2ccccc2)C[C@H]1N1CCOCC1 ZINC000245525937 165107516 /nfs/dbraw/zinc/10/75/16/165107516.db2.gz BPUCCJRQCNSTCZ-DOTOQJQBSA-N 0 0 333.432 0.887 10 0 ECAERN Cc1nnc([C@H]2CN(c3cc(N4CCC[C@H]4CO)ncn3)CCO2)[nH]1 ZINC000246572703 165137263 /nfs/dbraw/zinc/13/72/63/165137263.db2.gz STMWOHBUBLCHCP-QWHCGFSZSA-N 0 0 345.407 0.442 10 0 ECAERN Cn1cc(N2CC[C@H](NC(=O)NC[C@H]3CCCC[C@H]3O)C2=O)cn1 ZINC000247229638 165155374 /nfs/dbraw/zinc/15/53/74/165155374.db2.gz OQDVJMVXDRJGDS-KWCYVHTRSA-N 0 0 335.408 0.376 10 0 ECAERN CCOCCN1CCN([C@H](C)C(=O)NC(=O)NC(C)C)C[C@H]1C ZINC000247393798 165160504 /nfs/dbraw/zinc/16/05/04/165160504.db2.gz XKVIUXQHUHDGSF-ZIAGYGMSSA-N 0 0 328.457 0.652 10 0 ECAERN C[C@@H](NC(=O)CN1CC[C@@H](CNc2ccccn2)C1)C(=O)N(C)C ZINC000249805011 165204207 /nfs/dbraw/zinc/20/42/07/165204207.db2.gz BBPVAIDXZPXSBW-KGLIPLIRSA-N 0 0 333.436 0.408 10 0 ECAERN CCC(CC)[C@H](CNC(=O)[C@@H]([NH3+])C1CCOCC1)N1CCOCC1 ZINC000261647229 165220610 /nfs/dbraw/zinc/22/06/10/165220610.db2.gz DXMXKGWTMXLJOE-IRXDYDNUSA-N 0 0 341.496 0.994 10 0 ECAERN CCOC(=O)c1ccc(N2CCO[C@H](C[N@H+](C)CC(=O)[O-])C2)nc1 ZINC000261830313 165248936 /nfs/dbraw/zinc/24/89/36/165248936.db2.gz AKQYBYQCRGTBDO-CYBMUJFWSA-N 0 0 337.376 0.480 10 0 ECAERN COCCOc1ccccc1N1CCN(C(=O)[C@@H]([NH3+])COC)CC1 ZINC000262281539 165321937 /nfs/dbraw/zinc/32/19/37/165321937.db2.gz LVSYAKZNZGJJGH-AWEZNQCLSA-N 0 0 337.420 0.334 10 0 ECAERN Cc1noc(CCC(=O)NC2CC([N@@H+](CC(=O)[O-])CC3CC3)C2)n1 ZINC000262712722 165376712 /nfs/dbraw/zinc/37/67/12/165376712.db2.gz MFMUBIIVGSBZOX-UHFFFAOYSA-N 0 0 336.392 0.754 10 0 ECAERN CS(=O)(=O)CCCC(=O)NC1CC([N@@H+](CC(=O)[O-])CC2CC2)C1 ZINC000262726107 165377886 /nfs/dbraw/zinc/37/78/86/165377886.db2.gz SQQXSRGBMLVIAC-UHFFFAOYSA-N 0 0 346.449 0.255 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)c2ccc(CNC(C)=O)cc2)C1 ZINC000262724650 165377920 /nfs/dbraw/zinc/37/79/20/165377920.db2.gz RSLAWNJGVNJZGJ-UHFFFAOYSA-N 0 0 347.415 0.990 10 0 ECAERN Cc1nc(C)n(C[C@@H]2CN(C(=O)[C@H]3CC(F)(F)CN3)CCO2)n1 ZINC000262734037 165379292 /nfs/dbraw/zinc/37/92/92/165379292.db2.gz BXWVZFUAXZLKIM-NWDGAFQWSA-N 0 0 329.351 0.120 10 0 ECAERN CCO[C@@H]1C[C@H](NC(=O)NC2CC([N@H+](CC)CC(=O)[O-])C2)[C@@H]1OC ZINC000263327999 165437376 /nfs/dbraw/zinc/43/73/76/165437376.db2.gz BTSQWRHYQPLSCC-MIQYRIAESA-N 0 0 343.424 0.416 10 0 ECAERN O=S(=O)(c1c(Cl)nc2ccccn21)N1CCO[C@@H](CO)C1 ZINC000167123014 226181339 /nfs/dbraw/zinc/18/13/39/226181339.db2.gz AAHFWGQRNLFZCK-SECBINFHSA-N 0 0 331.781 0.370 10 0 ECAERN COC(=O)CNC(=O)CN1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000121120750 221762551 /nfs/dbraw/zinc/76/25/51/221762551.db2.gz ZNVPIXCJPPVNEL-ZWNOBZJWSA-N 0 0 328.315 0.362 10 0 ECAERN Cn1cc(CC(=O)N2CCN(C[C@@H](O)c3ccccc3)CC2)cn1 ZINC000171558888 227138483 /nfs/dbraw/zinc/13/84/83/227138483.db2.gz QZSAFPAYXBLQRT-QGZVFWFLSA-N 0 0 328.416 0.840 10 0 ECAERN O=C(CN1CCCCCCC1=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000171883225 227333177 /nfs/dbraw/zinc/33/31/77/227333177.db2.gz OIUMYCDKQKYAIM-HNNXBMFYSA-N 0 0 334.420 0.903 10 0 ECAERN CC[N@@H+]1CCC[C@H](NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[nH]2)C1 ZINC000174645980 263150967 /nfs/dbraw/zinc/15/09/67/263150967.db2.gz JJFFQRFVOHKEFB-JTQLQIEISA-N 0 0 331.376 0.546 10 0 ECAERN Cc1nn(C)c(C)c1CN1CCN(C(=O)Cc2ccn(C)n2)CC1 ZINC000183614193 263157441 /nfs/dbraw/zinc/15/74/41/263157441.db2.gz RVPLYBSSMSRGHT-UHFFFAOYSA-N 0 0 330.436 0.657 10 0 ECAERN CNC(=O)C1CN(C(=O)[C@@H](NC(=O)c2ccccc2C)C(C)C)C1 ZINC000186172050 263159251 /nfs/dbraw/zinc/15/92/51/263159251.db2.gz GXSFKUNZFXTCDC-HNNXBMFYSA-N 0 0 331.416 0.954 10 0 ECAERN CNC(=O)C1CN(C(=O)[C@H](NC(=O)c2ccccc2C)C(C)C)C1 ZINC000186172068 263159257 /nfs/dbraw/zinc/15/92/57/263159257.db2.gz GXSFKUNZFXTCDC-OAHLLOKOSA-N 0 0 331.416 0.954 10 0 ECAERN CCN1CCN(c2ccc(C(=O)N3CC(NC(C)=O)C3)cc2F)CC1 ZINC000191492856 263164976 /nfs/dbraw/zinc/16/49/76/263164976.db2.gz WMUVXVMMVFDYMH-UHFFFAOYSA-N 0 0 348.422 0.928 10 0 ECAERN O=C(CNC(=O)[C@H]1CNC(=O)C1)Nc1ccc(Br)cc1 ZINC000194813385 263169226 /nfs/dbraw/zinc/16/92/26/263169226.db2.gz SMSBFTDCZUKUMV-MRVPVSSYSA-N 0 0 340.177 0.640 10 0 ECAERN C[C@@H](CNC(=O)NCc1ccc(CO)c(F)c1)N1CCOCC1 ZINC000194923219 263170170 /nfs/dbraw/zinc/17/01/70/263170170.db2.gz MCOFMEYKMVQKIY-LBPRGKRZSA-N 0 0 325.384 0.838 10 0 ECAERN CC(C)n1cc([C@]2(O)CCN(c3nnnn3-c3ccccc3)C2)nn1 ZINC000284515768 264222847 /nfs/dbraw/zinc/22/28/47/264222847.db2.gz LJYFMZLTQIWWFB-INIZCTEOSA-N 0 0 340.391 0.933 10 0 ECAERN C[C@@H](O)CN1CCN(C(=O)c2ccc(-n3ccnc3)nc2)C[C@@H]1C ZINC000174352490 533687000 /nfs/dbraw/zinc/68/70/00/533687000.db2.gz FHEJHPCIDMWQSD-UONOGXRCSA-N 0 0 329.404 0.794 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)C(=O)N2CCc3cccc(C)c32)CC1 ZINC000189451194 437597938 /nfs/dbraw/zinc/59/79/38/437597938.db2.gz ATTAKFSDQMRZIQ-MRXNPFEDSA-N 0 0 345.443 0.799 10 0 ECAERN CC(=O)NC1CN(C(=O)N[C@H]2C[C@@H](C)N(c3ccccc3)C2=O)C1 ZINC000190220691 278090886 /nfs/dbraw/zinc/09/08/86/278090886.db2.gz MKTBOKJAKVPULY-ABAIWWIYSA-N 0 0 330.388 0.710 10 0 ECAERN Cc1cc(C)n(-c2ccc(C(=O)N3CCOC[C@@H]3C(N)=O)cn2)n1 ZINC000091779942 278674138 /nfs/dbraw/zinc/67/41/38/278674138.db2.gz ANNNECLLLURQMH-CYBMUJFWSA-N 0 0 329.360 0.210 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)C(=O)Nc2cccnc2Cl)CC1 ZINC000189456860 437600826 /nfs/dbraw/zinc/60/08/26/437600826.db2.gz WKGGBQSDLVAUFU-LLVKDONJSA-N 0 0 340.811 0.589 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)C(=O)Nc2ccc(F)c(F)c2)CC1 ZINC000189455727 437602416 /nfs/dbraw/zinc/60/24/16/437602416.db2.gz DBIHWQOTNZNHIM-GFCCVEGCSA-N 0 0 341.358 0.818 10 0 ECAERN Cc1ccc(CCC(=O)NCC(=O)N2CC(NC(=O)C3CC3)C2)cc1 ZINC000189464349 437602580 /nfs/dbraw/zinc/60/25/80/437602580.db2.gz UFKNAJKTIFDHLD-UHFFFAOYSA-N 0 0 343.427 0.781 10 0 ECAERN O=C1C[C@@H](N2CC[C@H](N3CCOCC3)C2)C(=O)N1c1ccc(F)cc1 ZINC000174006228 280268840 /nfs/dbraw/zinc/26/88/40/280268840.db2.gz ZGGFRKWWLKRDMG-JKSUJKDBSA-N 0 0 347.390 0.864 10 0 ECAERN C[C@@H](C1CC1)n1cc(NC(=O)NC[C@@H](O)CN2CCOCC2)cn1 ZINC000189731143 437607204 /nfs/dbraw/zinc/60/72/04/437607204.db2.gz YZGGOJDCFWUBHK-SWLSCSKDSA-N 0 0 337.424 0.669 10 0 ECAERN COC(=O)[C@]1(C)CCCN1Cc1cnc(N2CCN(C)CC2)nc1 ZINC000189989270 437614003 /nfs/dbraw/zinc/61/40/03/437614003.db2.gz WYHKEWXWDICKSW-KRWDZBQOSA-N 0 0 333.436 0.756 10 0 ECAERN Cn1c(=O)ccn(CC(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)c1=O ZINC000121695177 294144014 /nfs/dbraw/zinc/14/40/14/294144014.db2.gz VUSJANYDTNLXGL-CYBMUJFWSA-N 0 0 343.383 0.966 10 0 ECAERN O=C(N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1)[C@H]1CCCCS1(=O)=O ZINC000333102150 297109831 /nfs/dbraw/zinc/10/98/31/297109831.db2.gz VKUXGKFEAQLACW-HZSPNIEDSA-N 0 0 342.461 0.861 10 0 ECAERN O=C(N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1)c1cccn2c(=O)[nH]nc12 ZINC000333195711 297117640 /nfs/dbraw/zinc/11/76/40/297117640.db2.gz XDHSSHOKHOHZRC-NEPJUHHUSA-N 0 0 343.387 0.956 10 0 ECAERN C[C@@H]1CCN(C(=O)N[C@@H]2CCCN(c3nccn(C)c3=O)C2)C[C@H]1O ZINC000333295800 297121913 /nfs/dbraw/zinc/12/19/13/297121913.db2.gz LSCSWOAVUMAZJD-MGPQQGTHSA-N 0 0 349.435 0.161 10 0 ECAERN O=C(NC[C@H]1CCCO1)[C@H]1CC(=O)C[C@@H]1C(=O)NC[C@@H]1CCCO1 ZINC000333363002 297128058 /nfs/dbraw/zinc/12/80/58/297128058.db2.gz UQYWOJMABXQTAD-XGUBFFRZSA-N 0 0 338.404 0.172 10 0 ECAERN COC[C@@H]1C[C@@H](OC)CN1C(=O)c1ccc(=O)n(-c2cnn(C)c2)c1 ZINC000344643791 298049618 /nfs/dbraw/zinc/04/96/18/298049618.db2.gz BQMLXOGRGLUOBZ-DZGCQCFKSA-N 0 0 346.387 0.447 10 0 ECAERN C[C@H]1CN([C@@H](CNC(=O)C(=O)NC2CC2)c2cccs2)CCO1 ZINC000177976622 300291447 /nfs/dbraw/zinc/29/14/47/300291447.db2.gz LCPFBHVLKOTWIL-AAEUAGOBSA-N 0 0 337.445 0.905 10 0 ECAERN CC(=O)N[C@H]1CO[C@H]2[C@@H]1OC[C@@H]2n1cc(COc2ccccc2)nn1 ZINC000004260980 435977447 /nfs/dbraw/zinc/97/74/47/435977447.db2.gz DXZKRRQTPPVEIS-MWDXBVQZSA-N 0 0 344.371 0.701 10 0 ECAERN CCC(=O)N1CSC[C@@H]1C(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000369690950 300762031 /nfs/dbraw/zinc/76/20/31/300762031.db2.gz ZETXBWFEVLOHNZ-HZSPNIEDSA-N 0 0 341.477 0.477 10 0 ECAERN COCCNC(=O)Cn1nc(C)n2c(cc3cc(F)ccc32)c1=O ZINC000006749903 436004024 /nfs/dbraw/zinc/00/40/24/436004024.db2.gz WOIXRMCASQTRQU-UHFFFAOYSA-N 0 0 332.335 0.859 10 0 ECAERN CC(=O)N1CSC[C@@H]1C(=O)N1CCO[C@](C)(c2cnn(C)c2)C1 ZINC000370487363 300834391 /nfs/dbraw/zinc/83/43/91/300834391.db2.gz CKXWLZGLFOZIFX-HIFRSBDPSA-N 0 0 338.433 0.416 10 0 ECAERN CC(C)[C@@H]1OCC[C@H]1C(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000372976316 301039680 /nfs/dbraw/zinc/03/96/80/301039680.db2.gz GFISKDQWCTVTDC-ZNMIVQPWSA-N 0 0 344.477 0.379 10 0 ECAERN NC(=O)[C@@H]1CC[C@H](CNC(=O)N2CCC[C@@H]2[C@@H]2CCCC[C@@H]2O)O1 ZINC000375644291 301194211 /nfs/dbraw/zinc/19/42/11/301194211.db2.gz MTQFQTDSUQTBAJ-SEBNEYGDSA-N 0 0 339.436 0.744 10 0 ECAERN CN(C)C(=O)[C@H]1CCCN1C(=O)CN1CCN(c2ccccn2)CC1 ZINC000076323809 436200133 /nfs/dbraw/zinc/20/01/33/436200133.db2.gz ZBJHMKLZNFFBHC-OAHLLOKOSA-N 0 0 345.447 0.283 10 0 ECAERN Cc1oc2ncnc(OCC(=O)NCCN3CCOCC3)c2c1C ZINC000032996829 436249318 /nfs/dbraw/zinc/24/93/18/436249318.db2.gz PWOAYGCEZDQRJG-UHFFFAOYSA-N 0 0 334.376 0.667 10 0 ECAERN CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](OC(C)=O)C[C@@H]1OC(C)=O ZINC000034250496 436254114 /nfs/dbraw/zinc/25/41/14/436254114.db2.gz TWQVUVQFUFLAHX-REWJHTLYSA-N 0 0 332.305 0.091 10 0 in-vitro ECAERN Cn1cc(C(=O)[C@@H]2CC[C@@]3(O)NC(=O)N[C@]3(O)C2)c2ccccc21 ZINC000039005674 436262077 /nfs/dbraw/zinc/26/20/77/436262077.db2.gz XXOJAQFCXGVTGZ-YKJXYISPSA-N 0 0 329.356 0.851 10 0 ECAERN CCS(=O)(=O)NCCS(=O)(=O)N[C@@H](C)c1ccccc1C ZINC000081547410 436350205 /nfs/dbraw/zinc/35/02/05/436350205.db2.gz QXXMXWRJLOCWPM-LBPRGKRZSA-N 0 0 334.463 0.915 10 0 ECAERN Cc1ccc([C@@H](C)NC(=O)N(C)C[C@H](O)CN2CCOCC2)o1 ZINC000083695269 436375405 /nfs/dbraw/zinc/37/54/05/436375405.db2.gz IQTBSHFLVLQUHT-KGLIPLIRSA-N 0 0 325.409 0.984 10 0 ECAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000088297036 436400946 /nfs/dbraw/zinc/40/09/46/436400946.db2.gz HXFACQVWKQHCEU-GFCCVEGCSA-N 0 0 349.416 0.753 10 0 ECAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)NCCCN1CCOCC1 ZINC000088478500 436400987 /nfs/dbraw/zinc/40/09/87/436400987.db2.gz BSKAIMFBEDZFPN-ZDUSSCGKSA-N 0 0 336.440 0.697 10 0 ECAERN CC(C)CCn1ccc(NC(=O)NC[C@H](O)CN2CCOCC2)n1 ZINC000092929962 436477636 /nfs/dbraw/zinc/47/76/36/436477636.db2.gz CKTHNJRJNBBHAK-AWEZNQCLSA-N 0 0 339.440 0.744 10 0 ECAERN C[C@H](C(=O)Nc1ncccn1)N1CCCN(c2cccnn2)CC1 ZINC000105799310 436578058 /nfs/dbraw/zinc/57/80/58/436578058.db2.gz BZHLOWUYIQVTIC-CYBMUJFWSA-N 0 0 327.392 0.806 10 0 ECAERN CC(C)NC(=O)NC(=O)[C@@H](C)N1CCC(N(C)c2cccnn2)CC1 ZINC000105806660 436578330 /nfs/dbraw/zinc/57/83/30/436578330.db2.gz JDKBQPSZQUVSBA-CYBMUJFWSA-N 0 0 348.451 1.000 10 0 ECAERN Cc1ccc(N2CCCN(CC(=O)NC3CCOCC3)CC2)nn1 ZINC000105801893 436578526 /nfs/dbraw/zinc/57/85/26/436578526.db2.gz FORGXZNIEVZBHJ-UHFFFAOYSA-N 0 0 333.436 0.592 10 0 ECAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCCCn1ccnc1 ZINC000054455242 436552176 /nfs/dbraw/zinc/55/21/76/436552176.db2.gz MBDFOBDDADSJKE-CYBMUJFWSA-N 0 0 328.438 0.594 10 0 ECAERN CN1CCO[C@H](CNC(=O)NCC(=O)N2CCCc3ccccc32)C1 ZINC000104792055 436562764 /nfs/dbraw/zinc/56/27/64/436562764.db2.gz YWXWVTQAYIFLED-OAHLLOKOSA-N 0 0 346.431 0.596 10 0 ECAERN CCCCNC(=O)[C@H]1CCCN(C(=O)NC[C@H]2CN(C)CCO2)C1 ZINC000104798560 436563907 /nfs/dbraw/zinc/56/39/07/436563907.db2.gz HQYVGNAOPUNDSO-GJZGRUSLSA-N 0 0 340.468 0.655 10 0 ECAERN CC(C)CC(=O)N1CCC(NC(=O)NC[C@H]2CN(C)CCO2)CC1 ZINC000104794446 436564225 /nfs/dbraw/zinc/56/42/25/436564225.db2.gz FCLRGPCHTFDESN-HNNXBMFYSA-N 0 0 340.468 0.653 10 0 ECAERN CCCC(=O)NC[C@H]1CCCN(C(=O)NC[C@@H]2CN(C)CCO2)C1 ZINC000105279429 436573119 /nfs/dbraw/zinc/57/31/19/436573119.db2.gz GITPMEUZIUDMEL-HUUCEWRRSA-N 0 0 340.468 0.655 10 0 ECAERN Cc1ccc2oc(N3CCN(Cc4nc(N)nc(N)n4)CC3)nc2c1 ZINC000105818703 436580580 /nfs/dbraw/zinc/58/05/80/436580580.db2.gz MDOSGODKBFINBT-UHFFFAOYSA-N 0 0 340.391 0.808 10 0 ECAERN COCCCNC(=O)[C@@H](C)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000105869650 436583423 /nfs/dbraw/zinc/58/34/23/436583423.db2.gz KRKSYKUCMAGUJZ-OAHLLOKOSA-N 0 0 337.468 0.469 10 0 ECAERN C[C@@H](c1nc(N)nc(N(C)C)n1)N1CCC[C@H](Cn2cncn2)C1 ZINC000106174201 436589934 /nfs/dbraw/zinc/58/99/34/436589934.db2.gz SIUYMCPQJVVXIS-RYUDHWBXSA-N 0 0 331.428 0.585 10 0 ECAERN CN(C)C(=O)c1cccc(S(=O)(=O)N[C@@H]2CCc3ncnn3C2)c1 ZINC000113299016 436636918 /nfs/dbraw/zinc/63/69/18/436636918.db2.gz XAOMYWXXVFXPHF-GFCCVEGCSA-N 0 0 349.416 0.273 10 0 ECAERN CCOc1ccnc(N2CCN(C(=O)NCc3ccnn3C)CC2)n1 ZINC000113594507 436638720 /nfs/dbraw/zinc/63/87/20/436638720.db2.gz YFUHZWGAZFOIEU-UHFFFAOYSA-N 0 0 345.407 0.641 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)Cn1c3ccccc3[nH]c1=O)CC2 ZINC000114868347 436644719 /nfs/dbraw/zinc/64/47/19/436644719.db2.gz OGAQDUOWAYXSQX-NSHDSACASA-N 0 0 340.387 0.615 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)c1ccc(N3CCCC3)nn1)CC2 ZINC000114873075 436644817 /nfs/dbraw/zinc/64/48/17/436644817.db2.gz YYKLREADNORXPI-GFCCVEGCSA-N 0 0 341.419 0.976 10 0 ECAERN CCNC(=O)CCCC(=O)N1CCN(Cc2c(C)nn(C)c2C)CC1 ZINC000115388989 436647181 /nfs/dbraw/zinc/64/71/81/436647181.db2.gz ZROFAWZGYWWMPW-UHFFFAOYSA-N 0 0 349.479 0.988 10 0 ECAERN Cc1nn(C)c(C)c1CN1CCN(C(=O)NCCn2ccnc2)CC1 ZINC000115778827 436648722 /nfs/dbraw/zinc/64/87/22/436648722.db2.gz IFQVMDRLXSCGDF-UHFFFAOYSA-N 0 0 345.451 0.761 10 0 ECAERN CN(C)C(=O)CCNC(=O)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000115802523 436648822 /nfs/dbraw/zinc/64/88/22/436648822.db2.gz YUCCHNHATDTCQS-UHFFFAOYSA-N 0 0 336.440 0.116 10 0 ECAERN Cn1cc([C@@H]2CCN(C(=O)CN3C(=O)NC4(CCCC4)C3=O)C2)cn1 ZINC000116117890 436649370 /nfs/dbraw/zinc/64/93/70/436649370.db2.gz IEUCXZNVFTYLKH-GFCCVEGCSA-N 0 0 345.403 0.601 10 0 ECAERN CNC(=O)c1cncc(/C=C/C(=O)N2CCN(CCOC)[C@H](C)C2)c1 ZINC000117286699 436656328 /nfs/dbraw/zinc/65/63/28/436656328.db2.gz NAMANNRREZUDOB-ISZGNANSSA-N 0 0 346.431 0.634 10 0 ECAERN CCCC[C@H](NC(=O)NCC)C(=O)N1CCC[C@H](NC(C)=O)C1 ZINC000137324374 436656708 /nfs/dbraw/zinc/65/67/08/436656708.db2.gz LAWOBGWBIWJKSX-KBPBESRZSA-N 0 0 326.441 0.991 10 0 ECAERN C[C@H](C(=O)N(C)C)S(=O)(=O)N1C[C@H](CO)[C@H](c2ccsc2)C1 ZINC000194090912 436659221 /nfs/dbraw/zinc/65/92/21/436659221.db2.gz FSEMTCZTIWDZGD-RTXFEEFZSA-N 0 0 346.474 0.562 10 0 ECAERN Cc1cc(C)n2nc(CC(=O)NC[C@H](C)CN3CCOCC3)nc2n1 ZINC000150728071 436686920 /nfs/dbraw/zinc/68/69/20/436686920.db2.gz TXSZMOVNLVRAEM-LBPRGKRZSA-N 0 0 346.435 0.368 10 0 ECAERN C[C@@H]1NC(C(=O)N[C@H]2CCCC[C@@H]2CO)=NN(c2ccccc2)C1=O ZINC000151060116 436695737 /nfs/dbraw/zinc/69/57/37/436695737.db2.gz HIWAGFYJRFDKDS-GUTXKFCHSA-N 0 0 344.415 0.992 10 0 ECAERN O=C(CCn1cnnn1)N1CCCn2nc([C@H](O)C3CC3)cc2C1 ZINC000220087961 436696763 /nfs/dbraw/zinc/69/67/63/436696763.db2.gz DCILUZAVXSLUGD-OAHLLOKOSA-N 0 0 331.380 0.136 10 0 ECAERN CCN(CC)C(=O)C(=O)Nc1ccc(C(=O)N2CCN(C)CC2)cc1 ZINC000067354598 436712251 /nfs/dbraw/zinc/71/22/51/436712251.db2.gz ZKQXKXFSPMWXDR-UHFFFAOYSA-N 0 0 346.431 0.881 10 0 ECAERN Cn1ccnc1C[C@@H]1CCCN(C(=O)N[C@H]2CCc3ncnn3C2)C1 ZINC000141491556 436670543 /nfs/dbraw/zinc/67/05/43/436670543.db2.gz OLTABQREBKPJAF-KBPBESRZSA-N 0 0 343.435 0.991 10 0 ECAERN CC[C@@H](C)NC(=O)CN1CCN(Cc2nnc(C(C)C)n2C)CC1 ZINC000195058898 436677123 /nfs/dbraw/zinc/67/71/23/436677123.db2.gz FJMLNRHHZOZPOV-CQSZACIVSA-N 0 0 336.484 0.971 10 0 ECAERN CCCCOC[C@H](O)CN1CCN(Cc2noc(CC)n2)CC1 ZINC000195189909 436681936 /nfs/dbraw/zinc/68/19/36/436681936.db2.gz NCNCDEAYOWTAEX-CQSZACIVSA-N 0 0 326.441 0.927 10 0 ECAERN C[C@@H](O)CN1CCN(C(=O)Cn2cnc(-c3ccccc3)n2)C[C@@H]1C ZINC000120254113 436682848 /nfs/dbraw/zinc/68/28/48/436682848.db2.gz MLRQNCNUMFYIQQ-LSDHHAIUSA-N 0 0 343.431 0.859 10 0 ECAERN CNS(=O)(=O)c1cc(C(=O)N2CCO[C@@H]3CCCC[C@@H]32)co1 ZINC000120422299 436686135 /nfs/dbraw/zinc/68/61/35/436686135.db2.gz CHJCKIGJIGQHPI-NWDGAFQWSA-N 0 0 328.390 0.971 10 0 ECAERN O=C(CN1CC[C@@H](Oc2cccnc2)C1)NC(=O)NCC(F)(F)F ZINC000152455469 436731230 /nfs/dbraw/zinc/73/12/30/436731230.db2.gz JVJVYWUFBCDULQ-LLVKDONJSA-N 0 0 346.309 0.923 10 0 ECAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)N1CCN(CCOC)CC1 ZINC000153118386 436749518 /nfs/dbraw/zinc/74/95/18/436749518.db2.gz OJBAXNJMJRXZPA-CYBMUJFWSA-N 0 0 336.440 0.649 10 0 ECAERN Cn1c2cccc(C(=O)N3CC[C@@H](N4CCOCC4)C3)c2oc1=O ZINC000124427935 436750292 /nfs/dbraw/zinc/75/02/92/436750292.db2.gz ISGHASZFGYMVQB-GFCCVEGCSA-N 0 0 331.372 0.678 10 0 ECAERN COC(=O)[C@@H]1CCC[C@H](C(=O)N2CCN(C[C@H](C)O)[C@H](C)C2)C1 ZINC000245414647 436761976 /nfs/dbraw/zinc/76/19/76/436761976.db2.gz CMMNGQOLMHNFRH-CBBWQLFWSA-N 0 0 326.437 0.879 10 0 ECAERN C[C@@H](NC(=O)C(=O)NCC(=O)N(C)C)c1ccc(F)c(Cl)c1 ZINC000128109109 436810653 /nfs/dbraw/zinc/81/06/53/436810653.db2.gz DWFZEBILSCCRMX-MRVPVSSYSA-N 0 0 329.759 0.861 10 0 ECAERN Cc1ccc(OCCC(=O)NC[C@@H](O)CN2CCOCC2)c(C)c1 ZINC000128984493 436822461 /nfs/dbraw/zinc/82/24/61/436822461.db2.gz OGTGUJBVXKPHEP-MRXNPFEDSA-N 0 0 336.432 0.882 10 0 ECAERN Cc1cnn(C[C@@H]2CN(C[C@@H](O)COC3CCOCC3)CCO2)c1 ZINC000245874350 436768541 /nfs/dbraw/zinc/76/85/41/436768541.db2.gz QMCMDMDVUZRGSY-WBVHZDCISA-N 0 0 339.436 0.449 10 0 ECAERN Cc1cnn(C[C@@H]2CN(C(=O)C(=O)Nc3cc(C)nn3C)CCO2)c1 ZINC000125337610 436769569 /nfs/dbraw/zinc/76/95/69/436769569.db2.gz YMRTXIZPOQWYPV-ZDUSSCGKSA-N 0 0 346.391 0.100 10 0 ECAERN Cc1cc(-c2nnc(SCc3nnc(C4CC4)n3C)n2N)n[nH]1 ZINC000125563261 436772114 /nfs/dbraw/zinc/77/21/14/436772114.db2.gz JPDMJKFQNHSLKI-UHFFFAOYSA-N 0 0 331.409 0.989 10 0 ECAERN COCCn1ccc(NC(=O)C(=O)N2CCN3CCCC[C@@H]3C2)n1 ZINC000125559179 436773224 /nfs/dbraw/zinc/77/32/24/436773224.db2.gz OPVXQBNRZITXCJ-CYBMUJFWSA-N 0 0 335.408 0.165 10 0 ECAERN CN(CC(C)(C)CN1CCOCC1)C(=O)NC[C@@H]1CN(C)CCO1 ZINC000125684547 436774113 /nfs/dbraw/zinc/77/41/13/436774113.db2.gz SSOYVVJHHLAPAA-OAHLLOKOSA-N 0 0 342.484 0.317 10 0 ECAERN CCCC[C@H](NC(=O)NCC)C(=O)N1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000246344185 436776848 /nfs/dbraw/zinc/77/68/48/436776848.db2.gz VWQQNYFZCWPZPT-ZNMIVQPWSA-N 0 0 342.484 0.778 10 0 ECAERN CC(C)CC(=O)N[C@H](C(=O)NC[C@@H]1CCCS1(=O)=O)C(C)C ZINC000154394821 436777983 /nfs/dbraw/zinc/77/79/83/436777983.db2.gz KDQNMIKKZMEMEX-JSGCOSHPSA-N 0 0 332.466 0.867 10 0 ECAERN C[C@H]1CN(C(=O)Nc2cnc(N(C)C)nc2)C[C@H]1N1CCOCC1 ZINC000154898248 436787384 /nfs/dbraw/zinc/78/73/84/436787384.db2.gz YZIZAGZURLZEHU-GXTWGEPZSA-N 0 0 334.424 0.727 10 0 ECAERN COCCN1CCN(C(=O)[C@H]2Cc3ccccc3C(=O)O2)C[C@H]1C ZINC000247209353 436790220 /nfs/dbraw/zinc/79/02/20/436790220.db2.gz UMOWGZKAVQSZPZ-CZUORRHYSA-N 0 0 332.400 0.947 10 0 ECAERN CCOC(=O)CN(C)c1ncc(CN2CCC(=O)NC[C@H]2C)cn1 ZINC000247947390 436798391 /nfs/dbraw/zinc/79/83/91/436798391.db2.gz KFDCZPGWEFZCBV-GFCCVEGCSA-N 0 0 335.408 0.186 10 0 ECAERN CNC(=O)[C@H]1CCCN1C(=O)NCc1cccnc1-n1ccnc1 ZINC000155775921 436803237 /nfs/dbraw/zinc/80/32/37/436803237.db2.gz RORSHPDTAJWEDG-CYBMUJFWSA-N 0 0 328.376 0.687 10 0 ECAERN O=C(Cn1cccn1)N1CCC(N2CC(F)(F)C[C@H]2CO)CC1 ZINC000257188389 436857533 /nfs/dbraw/zinc/85/75/33/436857533.db2.gz MSESNAIBCOUQCW-ZDUSSCGKSA-N 0 0 328.363 0.576 10 0 ECAERN CC(C)(C)c1nnc2ccc(NC[C@@H](O)CN3CCOCC3)nn21 ZINC000274700895 436861506 /nfs/dbraw/zinc/86/15/06/436861506.db2.gz UPWBDPFBWSUGSK-GFCCVEGCSA-N 0 0 334.424 0.527 10 0 ECAERN CCn1cc(CN2CCCN(C(=O)N[C@@H]3CCN(C)C3=O)CC2)cn1 ZINC000129904289 436831828 /nfs/dbraw/zinc/83/18/28/436831828.db2.gz NREXUXYQIUVYKO-OAHLLOKOSA-N 0 0 348.451 0.351 10 0 ECAERN O=C(C[C@@H]1NC(=O)NC1=O)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000157667157 436832606 /nfs/dbraw/zinc/83/26/06/436832606.db2.gz LVRDFPWBBJWOOU-UWVGGRQHSA-N 0 0 329.278 0.874 10 0 ECAERN Nc1c(I)c(=O)[nH]c(=O)n1Cc1ccccc1 ZINC000134760058 436903645 /nfs/dbraw/zinc/90/36/45/436903645.db2.gz IYJHGEZZAUWKCM-UHFFFAOYSA-N 0 0 343.124 0.772 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)N2CCO[C@H](C(C)C)C2)C1 ZINC000263507145 436969890 /nfs/dbraw/zinc/96/98/90/436969890.db2.gz XMDOBUVBDGQPRS-RUXDESIVSA-N 0 0 327.425 0.990 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)N2CCO[C@@H](C(C)C)C2)C1 ZINC000263507144 436970388 /nfs/dbraw/zinc/97/03/88/436970388.db2.gz XMDOBUVBDGQPRS-JXQTWKCFSA-N 0 0 327.425 0.990 10 0 ECAERN O=C(Cn1cnnn1)N1CC[C@H](Oc2cccnc2N2CCCC2)C1 ZINC000275513012 436977486 /nfs/dbraw/zinc/97/74/86/436977486.db2.gz DKJQWTFUAKTIFV-ZDUSSCGKSA-N 0 0 343.391 0.348 10 0 ECAERN CNC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCc3nccn3C2)cc1 ZINC000275205639 436940710 /nfs/dbraw/zinc/94/07/10/436940710.db2.gz AHHBVQMCVAWTEM-LBPRGKRZSA-N 0 0 348.428 0.784 10 0 ECAERN C[C@@H]1CCCC[C@H]1OCC(=O)N1CCO[C@@H](C[N@H+](C)CC(=O)[O-])C1 ZINC000262976285 436945791 /nfs/dbraw/zinc/94/57/91/436945791.db2.gz SSTGTNDACMNOIV-QLFBSQMISA-N 0 0 342.436 0.826 10 0 ECAERN C[C@H]1C[C@H]1NC(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 ZINC000170814392 436955980 /nfs/dbraw/zinc/95/59/80/436955980.db2.gz WNQOMQYKEAMPEO-UONOGXRCSA-N 0 0 331.420 0.828 10 0 ECAERN CN1CCO[C@H](CNC(=O)NCc2cccnc2-n2cccn2)C1 ZINC000170922262 436960193 /nfs/dbraw/zinc/96/01/93/436960193.db2.gz TVKJSHXQRIBOHW-CQSZACIVSA-N 0 0 330.392 0.397 10 0 ECAERN O=C(N[C@@H]1CCc2ncnn2C1)N1CCC(Cn2cccn2)CC1 ZINC000172603651 437021474 /nfs/dbraw/zinc/02/14/74/437021474.db2.gz IQBVDCGQSAEYFU-CQSZACIVSA-N 0 0 329.408 0.911 10 0 ECAERN O=C(c1cccc(-n2cnnn2)c1)N1CC[C@@H](N2CCOCC2)C1 ZINC000172745090 437027538 /nfs/dbraw/zinc/02/75/38/437027538.db2.gz YYABDPGJUQMJTN-OAHLLOKOSA-N 0 0 328.376 0.209 10 0 ECAERN CS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](N3CCOCC3)C2)cc1 ZINC000172757975 437030229 /nfs/dbraw/zinc/03/02/29/437030229.db2.gz HBXZKJAVJHBVMA-CQSZACIVSA-N 0 0 338.429 0.637 10 0 ECAERN NC(=O)c1ccc(NC(=O)N2CCO[C@H](Cn3cccn3)C2)cc1 ZINC000171816857 436990434 /nfs/dbraw/zinc/99/04/34/436990434.db2.gz XIOUZQYVQJEZCQ-AWEZNQCLSA-N 0 0 329.360 0.915 10 0 ECAERN CC(C)(C)n1cc(CN2CCN(C(=O)CCn3ccnn3)CC2)cn1 ZINC000172111989 436999243 /nfs/dbraw/zinc/99/92/43/436999243.db2.gz HXANEMHENFEYST-UHFFFAOYSA-N 0 0 345.451 0.964 10 0 ECAERN Cn1cc([C@H]2CCN(C(=O)CCN3CCCS3(=O)=O)C2)cn1 ZINC000172260374 437006017 /nfs/dbraw/zinc/00/60/17/437006017.db2.gz IHMRGKQPIUQZIH-LBPRGKRZSA-N 0 0 326.422 0.162 10 0 ECAERN CNc1cc(N2CCC[C@@H]2CNC(=O)NC[C@H](O)C(C)C)ncn1 ZINC000173429935 437050301 /nfs/dbraw/zinc/05/03/01/437050301.db2.gz JOKJHVSBOJFINX-OLZOCXBDSA-N 0 0 336.440 0.803 10 0 ECAERN Cc1csc(=O)n1CCC(=O)N1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000173532131 437055184 /nfs/dbraw/zinc/05/51/84/437055184.db2.gz RJNXDGGNRYZQMK-LLVKDONJSA-N 0 0 337.405 0.635 10 0 ECAERN Cc1nnc([C@@H]2CN(C(=O)CNC(=O)c3ccccc3C)CCO2)[nH]1 ZINC000173547337 437057148 /nfs/dbraw/zinc/05/71/48/437057148.db2.gz IFECHOFOEGGDGV-AWEZNQCLSA-N 0 0 343.387 0.751 10 0 ECAERN O=S(=O)(NCCN1CC[C@H](N2CCOCC2)C1)c1ccccc1 ZINC000173925688 437068458 /nfs/dbraw/zinc/06/84/58/437068458.db2.gz IFRPMVFQPSFWSB-HNNXBMFYSA-N 0 0 339.461 0.371 10 0 ECAERN CC1(C)CN(CCNC(=O)N2CC[C@@H](N3CCOCC3)C2)CCO1 ZINC000173907532 437068683 /nfs/dbraw/zinc/06/86/83/437068683.db2.gz IGEXPOMRVOJWAV-OAHLLOKOSA-N 0 0 340.468 0.213 10 0 ECAERN CC(C)(C)S(=O)(=O)CCNC(=O)N[C@H]1CCc2ncnn2C1 ZINC000175112986 437094891 /nfs/dbraw/zinc/09/48/91/437094891.db2.gz UPGKUPMRJHMSRN-JTQLQIEISA-N 0 0 329.426 0.105 10 0 ECAERN COCCN1C(=O)N[C@@H]2CN(C(=O)c3ccc(Cl)cn3)CC[C@@H]21 ZINC000299740501 437107204 /nfs/dbraw/zinc/10/72/04/437107204.db2.gz BDXUUVONUFUTCB-OLZOCXBDSA-N 0 0 338.795 0.990 10 0 ECAERN CCc1nnc(N2CC[C@H]3[C@@H](C2)NC(=O)N3CCOC)nc1CC ZINC000299744876 437108176 /nfs/dbraw/zinc/10/81/76/437108176.db2.gz VEVJAENYQZWRPP-KGLIPLIRSA-N 0 0 334.424 0.615 10 0 ECAERN Cc1nn(C)c(C)c1OCC(=O)N1C[C@@H](C(N)=O)[C@H](C(F)(F)F)C1 ZINC000299740475 437108206 /nfs/dbraw/zinc/10/82/06/437108206.db2.gz AZGOJRSVKXPSMA-NXEZZACHSA-N 0 0 348.325 0.538 10 0 ECAERN CC(C)C(=O)NCCNC(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000175627164 437108634 /nfs/dbraw/zinc/10/86/34/437108634.db2.gz KMDAWMUWKSQHFU-ZIAGYGMSSA-N 0 0 326.441 0.121 10 0 ECAERN COCCC(=O)N1CCN(c2cncc(-n3ccnc3C)n2)CC1 ZINC000302703452 437148166 /nfs/dbraw/zinc/14/81/66/437148166.db2.gz VMRVMEHQBSGMRD-UHFFFAOYSA-N 0 0 330.392 0.656 10 0 ECAERN CN(C)c1ncccc1O[C@H]1CCN(C(=O)N[C@H]2CCN(C)C2=O)C1 ZINC000276714674 437151566 /nfs/dbraw/zinc/15/15/66/437151566.db2.gz PVWIBHDSFTZGTE-STQMWFEESA-N 0 0 347.419 0.541 10 0 ECAERN Cc1cnn(CCNC(=O)c2ccc(CNS(C)(=O)=O)o2)c1 ZINC000176650082 437152461 /nfs/dbraw/zinc/15/24/61/437152461.db2.gz UMGQBQIDFRGOGO-UHFFFAOYSA-N 0 0 326.378 0.264 10 0 ECAERN Cc1cc(N2CCC[C@H](NC(=O)NC[C@@H]3CCCOC3)C2=O)n(C)n1 ZINC000175749423 437115482 /nfs/dbraw/zinc/11/54/82/437115482.db2.gz BQXDGDMMEZNFRF-KBPBESRZSA-N 0 0 349.435 0.950 10 0 ECAERN Cn1cc(N2CCC[C@H](Nc3nn4c(nccc4=O)s3)C2)cn1 ZINC000301440234 437122312 /nfs/dbraw/zinc/12/23/12/437122312.db2.gz UCLHJIGAFSGDEP-JTQLQIEISA-N 0 0 331.405 0.965 10 0 ECAERN CS(=O)(=O)CC1(CNc2ncnc3n[nH]cc32)CCOCC1 ZINC000301845250 437134215 /nfs/dbraw/zinc/13/42/15/437134215.db2.gz SSQZBBZNHICFEV-UHFFFAOYSA-N 0 0 325.394 0.606 10 0 ECAERN CCOc1cc(F)ccc1NC(=O)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000177628653 437191684 /nfs/dbraw/zinc/19/16/84/437191684.db2.gz NTCCIUONQBLRGJ-LLVKDONJSA-N 0 0 347.350 0.886 10 0 ECAERN COc1cc(C)ccc1NC(=O)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000177627449 437191943 /nfs/dbraw/zinc/19/19/43/437191943.db2.gz AXCSVLPNEVZFNP-NSHDSACASA-N 0 0 329.360 0.665 10 0 ECAERN COC(=O)[C@H]1Cc2ccccc2CN1C[C@H](O)CN1CCCC1=O ZINC000178324296 437211070 /nfs/dbraw/zinc/21/10/70/437211070.db2.gz CFHCCLVWIAICSV-HZPDHXFCSA-N 0 0 332.400 0.570 10 0 ECAERN COC[C@@H](NC(=O)N[C@@H]1CCCN(c2cc(C)nn2C)C1=O)C1CC1 ZINC000178739139 437226621 /nfs/dbraw/zinc/22/66/21/437226621.db2.gz PEGPTXOZMMWXTB-ZIAGYGMSSA-N 0 0 349.435 0.948 10 0 ECAERN CNC(=O)[C@H](NC(=O)c1ccc(-n2cnnn2)cc1Cl)C(C)C ZINC000178844647 437232415 /nfs/dbraw/zinc/23/24/15/437232415.db2.gz STNIVPZMIKMRMM-GFCCVEGCSA-N 0 0 336.783 0.816 10 0 ECAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(CC(=O)Nc2cc(C)nn2C)C1 ZINC000328623389 437241152 /nfs/dbraw/zinc/24/11/52/437241152.db2.gz JAUIKEXWJMTHJC-VXGBXAGGSA-N 0 0 334.380 0.820 10 0 ECAERN O=C(CN1C[C@H](O)C[C@@H]1CO)Nc1ccc(Br)cc1 ZINC000179169274 437253287 /nfs/dbraw/zinc/25/32/87/437253287.db2.gz RNKANVHNNQAQIK-VXGBXAGGSA-N 0 0 329.194 0.815 10 0 ECAERN NC(=O)[C@H]1COCCN1C(=O)[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000180270072 437284502 /nfs/dbraw/zinc/28/45/02/437284502.db2.gz YIUMCFOAHNFKIO-GHMZBOCLSA-N 0 0 333.171 0.740 10 0 ECAERN CCc1cc(NC(=O)C(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)n(C)n1 ZINC000180256744 437285420 /nfs/dbraw/zinc/28/54/20/437285420.db2.gz AWSBXCUVDBNOJD-OCCSQVGLSA-N 0 0 349.435 0.100 10 0 ECAERN CCOc1ccccc1C(F)(F)C(=O)N1CCOC[C@H]1C(N)=O ZINC000180275600 437285831 /nfs/dbraw/zinc/28/58/31/437285831.db2.gz PQVFHKLRCAZDPO-NSHDSACASA-N 0 0 328.315 0.890 10 0 ECAERN CC[C@@H](O)CN1CCN(S(=O)(=O)Cc2ccc(Cl)nc2)CC1 ZINC000182402716 437347507 /nfs/dbraw/zinc/34/75/07/437347507.db2.gz LFOJJXZZBNKCQF-CYBMUJFWSA-N 0 0 347.868 0.953 10 0 ECAERN Cc1cnn(CCNS(=O)(=O)c2cnn(CC(F)(F)F)c2)c1 ZINC000184752244 437410653 /nfs/dbraw/zinc/41/06/53/437410653.db2.gz OGBLDCPSMUCKNJ-UHFFFAOYSA-N 0 0 337.327 0.929 10 0 ECAERN COCC(=O)NC1CN(C[C@@H](O)Cn2cnc3cc(C)c(C)cc32)C1 ZINC000185089368 437425060 /nfs/dbraw/zinc/42/50/60/437425060.db2.gz HGMJAXLTCTVYRM-OAHLLOKOSA-N 0 0 346.431 0.461 10 0 ECAERN COCC(=O)NC1CN(C(=O)Cc2ccc(OC(F)F)cc2)C1 ZINC000185226165 437432426 /nfs/dbraw/zinc/43/24/26/437432426.db2.gz VXDZCESAVZRTHS-UHFFFAOYSA-N 0 0 328.315 0.804 10 0 ECAERN COCC(=O)NC1CN(C(=O)c2cc(C3CC3)nc3onc(C)c32)C1 ZINC000185260788 437432737 /nfs/dbraw/zinc/43/27/37/437432737.db2.gz OIWSDTNSGMTJHS-UHFFFAOYSA-N 0 0 344.371 0.996 10 0 ECAERN COCC(=O)NC1CN(C(=O)Cc2cccc(Br)c2)C1 ZINC000185288106 437434153 /nfs/dbraw/zinc/43/41/53/437434153.db2.gz WHRASNOKGZZDID-UHFFFAOYSA-N 0 0 341.205 0.965 10 0 ECAERN CCN(C)C(=O)CNC(=O)N1CCCN(Cc2noc(C)n2)CC1 ZINC000186205670 437463689 /nfs/dbraw/zinc/46/36/89/437463689.db2.gz UJVUHIGAOBIHIJ-UHFFFAOYSA-N 0 0 338.412 0.074 10 0 ECAERN COCC(=O)NC1CN(C(=O)c2ccc(C)nc2Br)C1 ZINC000186316722 437469159 /nfs/dbraw/zinc/46/91/59/437469159.db2.gz ZBBTUUBGTHUUFH-UHFFFAOYSA-N 0 0 342.193 0.740 10 0 ECAERN CC(C)c1nnc2n1C[C@@H](NC(=O)N1CC(NC(=O)C3CC3)C1)CC2 ZINC000187782189 437514687 /nfs/dbraw/zinc/51/46/87/437514687.db2.gz USZSIOYMJGREAS-LBPRGKRZSA-N 0 0 346.435 0.636 10 0 ECAERN O=C(NC[C@@H](O)CN1CCOCC1)C1(Cc2ccccc2F)CC1 ZINC000188279846 437539246 /nfs/dbraw/zinc/53/92/46/437539246.db2.gz GHSCMTFWVQUAPX-OAHLLOKOSA-N 0 0 336.407 0.958 10 0 ECAERN C[C@@H](CNC(=O)C(=O)Nc1cnn([C@@H](C)C2CC2)c1)N1CCOCC1 ZINC000188414436 437545664 /nfs/dbraw/zinc/54/56/64/437545664.db2.gz YNNWJEQRWWMDBT-STQMWFEESA-N 0 0 349.435 0.630 10 0 ECAERN COCC(=O)NC1CN(C(=O)NCCCN2CCc3ccccc32)C1 ZINC000188362075 437546531 /nfs/dbraw/zinc/54/65/31/437546531.db2.gz YHPBEVNKLDCMCA-UHFFFAOYSA-N 0 0 346.431 0.596 10 0 ECAERN COCC(=O)NC1CN(C(=O)NCc2ccccc2-n2ccnc2)C1 ZINC000188504925 437553377 /nfs/dbraw/zinc/55/33/77/437553377.db2.gz PERQPUGKJZMWBO-UHFFFAOYSA-N 0 0 343.387 0.529 10 0 ECAERN O=C(Cc1ccc(-n2cnnn2)cc1)N1CC(NC(=O)C2CCC2)C1 ZINC000188538634 437553620 /nfs/dbraw/zinc/55/36/20/437553620.db2.gz YIAHSLRRHJYAOE-UHFFFAOYSA-N 0 0 340.387 0.332 10 0 ECAERN O=C(CCCNC(=O)c1cccnc1)N1CC(NC(=O)C2CCC2)C1 ZINC000188563207 437556609 /nfs/dbraw/zinc/55/66/09/437556609.db2.gz KAQLBVMJGNHWJZ-UHFFFAOYSA-N 0 0 344.415 0.719 10 0 ECAERN CCOC(=O)C1CCC(O)(C[NH+]2CCN(C[C@H](O)CC)CC2)CC1 ZINC000190917308 437641089 /nfs/dbraw/zinc/64/10/89/437641089.db2.gz QWTLPYYEELVQJV-UPTPFMHGSA-N 0 0 342.480 0.859 10 0 ECAERN CC(C)c1nc2c(n1C)CCN(C(=O)C(=O)Nc1cnns1)C2 ZINC000192070027 437663616 /nfs/dbraw/zinc/66/36/16/437663616.db2.gz JAACRKFSYDLEES-UHFFFAOYSA-N 0 0 334.405 0.918 10 0 ECAERN COCCOc1ccc(CC(=O)N[C@@H]2CCc3ncnn3C2)cc1 ZINC000192104265 437666303 /nfs/dbraw/zinc/66/63/03/437666303.db2.gz NOIIYXLSJWONQD-CQSZACIVSA-N 0 0 330.388 0.977 10 0 ECAERN Cn1cc([C@@]2(C)CN(C(=O)N[C@@H]3CCc4c[nH]nc4C3)CCO2)cn1 ZINC000372018271 438024484 /nfs/dbraw/zinc/02/44/84/438024484.db2.gz VFWWEIMOGKKMBW-RHSMWYFYSA-N 0 0 344.419 0.958 10 0 ECAERN CC(C)(C)CC(=O)N1CCC[C@H]1C(=O)N1CCC[C@@](O)(C(N)=O)C1 ZINC000367005248 438153741 /nfs/dbraw/zinc/15/37/41/438153741.db2.gz YQHNUTRJTHUXMZ-SJCJKPOMSA-N 0 0 339.436 0.252 10 0 ECAERN CC(=O)N[C@@H]1CCCN(C(=O)N[C@@H]2CCCC[C@H]2S(C)(=O)=O)C1 ZINC000368364817 438320914 /nfs/dbraw/zinc/32/09/14/438320914.db2.gz XRMWOWVFEWXPGS-MGPQQGTHSA-N 0 0 345.465 0.652 10 0 ECAERN COC(=O)[C@]1(C)CCN(C(=O)N[C@@H]2CCCC[C@H]2S(C)(=O)=O)C1 ZINC000368220351 438303689 /nfs/dbraw/zinc/30/36/89/438303689.db2.gz FMUHTKYHKAEAAJ-LALPHHSUSA-N 0 0 346.449 0.937 10 0 ECAERN Cc1nc(S(=O)(=O)N2CCOC[C@@H]2[C@@H]2CCC[C@H]2O)cn1C ZINC000583616352 439486065 /nfs/dbraw/zinc/48/60/65/439486065.db2.gz HUZQCCQGKGUMJJ-YNEHKIRRSA-N 0 0 329.422 0.279 10 0 ECAERN CN(C)c1nc(CN(C)[C@@H]2CCN(Cc3cc[nH]n3)C2)cc(=O)[nH]1 ZINC000583621910 439488111 /nfs/dbraw/zinc/48/81/11/439488111.db2.gz QFGZFSMZPOYKJB-CQSZACIVSA-N 0 0 331.424 0.678 10 0 ECAERN C[NH+]1CCN([C@@H]2C[C@@H](C(=O)[O-])CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000536960503 439540731 /nfs/dbraw/zinc/54/07/31/439540731.db2.gz VVWDHXQYWKHHHR-CHWSQXEVSA-N 0 0 327.425 0.944 10 0 ECAERN CCOC(=O)c1ccc([C@@H]2COCCCN2S(N)(=O)=O)cc1 ZINC000616648511 439820658 /nfs/dbraw/zinc/82/06/58/439820658.db2.gz NLQPSRMWESPRCX-ZDUSSCGKSA-N 0 0 328.390 0.830 10 0 ECAERN COC[C@@H]1CN(C(=O)NCc2nc(N(C)C)n[nH]2)CC(C)(C)O1 ZINC000637786774 440332956 /nfs/dbraw/zinc/33/29/56/440332956.db2.gz ASEGSDVUVBBDRR-JTQLQIEISA-N 0 0 326.401 0.206 10 0 ECAERN Cc1nnc(COC2CN(C(=O)[C@H]3COc4ccccc4O3)C2)o1 ZINC000644208682 440473045 /nfs/dbraw/zinc/47/30/45/440473045.db2.gz NJXJDMMXCFMTHN-CQSZACIVSA-N 0 0 331.328 0.945 10 0 ECAERN COc1cc(CN2C[C@@H](O)[C@H](Oc3cnn(C)c3)C2)cc2c1OCO2 ZINC000628376248 440458092 /nfs/dbraw/zinc/45/80/92/440458092.db2.gz LTTGGVVMHTZKGN-CZUORRHYSA-N 0 0 347.371 0.782 10 0 ECAERN O=C(CN1CCCC[C@@H](O)C1=O)N1CCC2(C1)Oc1ccccc1O2 ZINC000644482034 440617932 /nfs/dbraw/zinc/61/79/32/440617932.db2.gz HKYMQAAATSGQFG-CYBMUJFWSA-N 0 0 346.383 0.760 10 0 ECAERN COCCN1CCN(C(=O)C[C@@H](C)N2CCCCC2=O)CC1=O ZINC000328751829 320730794 /nfs/dbraw/zinc/73/07/94/320730794.db2.gz REWSAHUUJHQACK-CYBMUJFWSA-N 0 0 325.409 0.095 10 0 ECAERN COCCN1CCN(C(=O)C[C@H](C)N2CCCCC2=O)CC1=O ZINC000328751830 320730937 /nfs/dbraw/zinc/73/09/37/320730937.db2.gz REWSAHUUJHQACK-ZDUSSCGKSA-N 0 0 325.409 0.095 10 0 ECAERN C[C@@H](CC(=O)N1CCN(Cc2ncc[nH]2)CC1)N1CCCCC1=O ZINC000328786373 320732759 /nfs/dbraw/zinc/73/27/59/320732759.db2.gz WOPZLYHCQJRKQG-AWEZNQCLSA-N 0 0 333.436 0.845 10 0 ECAERN CS(=O)(=O)N1CCCN(C(=O)C[C@@H]2CCCCNC2=O)CC1 ZINC000328794350 320732959 /nfs/dbraw/zinc/73/29/59/320732959.db2.gz SKPYZXYGXFOAQA-LBPRGKRZSA-N 0 0 331.438 0.627 10 0 ECAERN CC(=O)N1CCC[C@@](O)(C(=O)N2CCC[C@@H](Cc3nccn3C)C2)C1 ZINC000328970027 320745494 /nfs/dbraw/zinc/74/54/94/320745494.db2.gz AZHLWEXOAWUXHS-YJBOKZPZSA-N 0 0 348.447 0.575 10 0 ECAERN Cc1n[nH]c(=O)c(C(=O)NC[C@@H]2C[C@H](F)CN2c2cccnn2)c1C ZINC000329905222 320794504 /nfs/dbraw/zinc/79/45/04/320794504.db2.gz AOEPZIVIXDNREJ-RYUDHWBXSA-N 0 0 346.366 0.936 10 0 ECAERN O[C@@]1(C(F)(F)F)CCCN(Cc2nnnn2CC2CCOCC2)C1 ZINC000333360642 320916622 /nfs/dbraw/zinc/91/66/22/320916622.db2.gz UGDZVICBZLRFRG-ZDUSSCGKSA-N 0 0 349.357 0.989 10 0 ECAERN Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1NC(=O)N1C[C@@H](O)[C@H](O)C1 ZINC000333361749 320916897 /nfs/dbraw/zinc/91/68/97/320916897.db2.gz XPCPEEITRVGNRF-RBSFLKMASA-N 0 0 349.387 0.174 10 0 ECAERN Cc1noc([C@@H]2CC[C@H](CNC(=O)N[C@@H](C)Cn3cncn3)O2)n1 ZINC000333503131 320919216 /nfs/dbraw/zinc/91/92/16/320919216.db2.gz CYCHOGDGOQQSGZ-WCQGTBRESA-N 0 0 335.368 0.578 10 0 ECAERN CC1(C)CN(C[C@H](O)CN2C(=O)c3ccccc3C2=O)C[C@@H](CO)O1 ZINC000344558693 321156361 /nfs/dbraw/zinc/15/63/61/321156361.db2.gz YJXJJTRLVPNKPR-STQMWFEESA-N 0 0 348.399 0.115 10 0 ECAERN C[C@@]1(C(N)=O)CCCCN1S(=O)(=O)c1ccc2c(c1)OCO2 ZINC000368292747 321720862 /nfs/dbraw/zinc/72/08/62/321720862.db2.gz FDYSQNBXEAIEDK-AWEZNQCLSA-N 0 0 326.374 0.834 10 0 ECAERN Cc1sc2ncc(C(=O)N3C[C@@H](F)C[C@H]3CO)c(=O)n2c1C ZINC000372501189 321776419 /nfs/dbraw/zinc/77/64/19/321776419.db2.gz DGHNRNNNUFIYJT-UWVGGRQHSA-N 0 0 325.365 0.918 10 0 ECAERN Cc1cc(Cl)ncc1NC(=O)C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000187978817 533797956 /nfs/dbraw/zinc/79/79/56/533797956.db2.gz IRWSFXMZMNIVQN-UHFFFAOYSA-N 0 0 336.779 0.719 10 0 ECAERN O=C(NCCNC(=O)c1ccccc1F)N[C@H]1CCc2ncnn2C1 ZINC000171869079 534353199 /nfs/dbraw/zinc/35/31/99/534353199.db2.gz OOJUJXQCROBZPH-NSHDSACASA-N 0 0 346.366 0.461 10 0 ECAERN O=C(NCCNC(=O)c1ccccc1F)N[C@@H]1CCc2ncnn2C1 ZINC000171869078 534353582 /nfs/dbraw/zinc/35/35/82/534353582.db2.gz OOJUJXQCROBZPH-LLVKDONJSA-N 0 0 346.366 0.461 10 0 ECAERN O=C(Nc1cnc2ccccc2c1)C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000187985593 534449494 /nfs/dbraw/zinc/44/94/94/534449494.db2.gz WTGUNPULKWNSPU-UHFFFAOYSA-N 0 0 338.367 0.910 10 0 ECAERN NC(=O)[C@H]1COCCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000179687775 534463681 /nfs/dbraw/zinc/46/36/81/534463681.db2.gz ZWNYWEWSYDJXDJ-SNVBAGLBSA-N 0 0 338.307 0.580 10 0 ECAERN NC(=O)c1cccc(NC(=O)N2CCO[C@@H](Cn3cccn3)C2)c1 ZINC000171816921 534497016 /nfs/dbraw/zinc/49/70/16/534497016.db2.gz YYJMJINBOSIMET-CQSZACIVSA-N 0 0 329.360 0.915 10 0 ECAERN O=C(CN1CC(=O)NC1=O)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000168758623 534516490 /nfs/dbraw/zinc/51/64/90/534516490.db2.gz DKNQTPQLHNHRGR-SNVBAGLBSA-N 0 0 329.278 0.828 10 0 ECAERN O=C1N[C@H](c2cn(-c3ccc(F)c(Cl)c3)nn2)N2CCOC[C@@H]12 ZINC000180936365 534799530 /nfs/dbraw/zinc/79/95/30/534799530.db2.gz WSRLSUYHIQTCCR-STQMWFEESA-N 0 0 337.742 0.889 10 0 ECAERN CC(=O)NC1CN(C(=O)C2CCN(C(=O)c3ccccc3)CC2)C1 ZINC000191492974 526704811 /nfs/dbraw/zinc/70/48/11/526704811.db2.gz FBWZJJMWFKUETH-UHFFFAOYSA-N 0 0 329.400 0.886 10 0 ECAERN CC(=O)NC1CN(C(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)C1 ZINC000191478912 526707059 /nfs/dbraw/zinc/70/70/59/526707059.db2.gz SEPVWRSGFGWLAF-UHFFFAOYSA-N 0 0 334.767 0.340 10 0 ECAERN O=C(COC(=O)c1ccc(CN2CCOCC2)cc1)N1CCNC1=O ZINC000022373842 526912578 /nfs/dbraw/zinc/91/25/78/526912578.db2.gz KGOOEWBEDZRACL-UHFFFAOYSA-N 0 0 347.371 0.227 10 0 ECAERN CC(C)(NS(C)(=O)=O)C(=O)N1CCC(Cn2cccn2)CC1 ZINC000173854779 527297722 /nfs/dbraw/zinc/29/77/22/527297722.db2.gz HZHUUDQRRSTHJX-UHFFFAOYSA-N 0 0 328.438 0.450 10 0 ECAERN CCC(=O)N1CC[C@H](C(=O)N2CCO[C@@H](Cn3nc(C)cc3C)C2)C1 ZINC000161895808 528361573 /nfs/dbraw/zinc/36/15/73/528361573.db2.gz OEJSHFZRLAJUKX-JKSUJKDBSA-N 0 0 348.447 0.986 10 0 ECAERN CC(C)Cc1nc(C(=O)NC[C@H](O)CN2CCOCC2)cs1 ZINC000132404520 528666188 /nfs/dbraw/zinc/66/61/88/528666188.db2.gz OKSVINYXRXVWHK-LBPRGKRZSA-N 0 0 327.450 0.765 10 0 ECAERN CCCOc1cccc(CC(=O)NC[C@@H](O)CN2CCOCC2)c1 ZINC000132465895 528739301 /nfs/dbraw/zinc/73/93/01/528739301.db2.gz KHJVPJMTUNXRGU-MRXNPFEDSA-N 0 0 336.432 0.827 10 0 ECAERN COc1ccc(S(=O)(=O)N(C)C[C@@H]2CN(C)CCO2)c(C)c1 ZINC000074774972 545684582 /nfs/dbraw/zinc/68/45/82/545684582.db2.gz ZOGJSADIADVIQI-AWEZNQCLSA-N 0 0 328.434 0.955 10 0 ECAERN CC(=O)Nc1ccc(S(=O)(=O)NC[C@H]2CC(=O)N(C)C2)cc1 ZINC000074863380 545686403 /nfs/dbraw/zinc/68/64/03/545686403.db2.gz PHRJJFLHKRWJNJ-LLVKDONJSA-N 0 0 325.390 0.402 10 0 ECAERN O=C(Nc1cnc(C2CC2)nc1)C(=O)N1CCN2CCCC[C@@H]2C1 ZINC000177402860 545874506 /nfs/dbraw/zinc/87/45/06/545874506.db2.gz NTHFRGDIQUTDDN-CQSZACIVSA-N 0 0 329.404 0.989 10 0 ECAERN CC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2cnn(CC3CC3)c2)C1 ZINC000177847519 545875755 /nfs/dbraw/zinc/87/57/55/545875755.db2.gz AHGQSOZJNPLAKD-CYBMUJFWSA-N 0 0 333.392 0.359 10 0 ECAERN CC(=O)N[C@H]1CCCN(C(=O)c2c(C)nn(C)c2-n2cccn2)C1 ZINC000186836080 545896720 /nfs/dbraw/zinc/89/67/20/545896720.db2.gz PHIRISSSEWBAAA-ZDUSSCGKSA-N 0 0 330.392 0.655 10 0 ECAERN CCOc1cnc(C(=O)N2CCO[C@@H](Cn3cc(C)cn3)C2)cn1 ZINC000189457015 545905729 /nfs/dbraw/zinc/90/57/29/545905729.db2.gz CKXDYIBPCSUYNJ-CYBMUJFWSA-N 0 0 331.376 0.921 10 0 ECAERN NC(=O)[C@@]1(O)CCCN(C(=O)c2cccn2Cc2ccccc2)C1 ZINC000310073706 545988560 /nfs/dbraw/zinc/98/85/60/545988560.db2.gz FKTUNSRUXDWOMZ-GOSISDBHSA-N 0 0 327.384 0.989 10 0 ECAERN O=S(=O)(N[C@H]1CCOC[C@@H]1O)c1ccc(Br)cc1 ZINC000625592416 547160848 /nfs/dbraw/zinc/16/08/48/547160848.db2.gz UISBVPSWFFNTEA-QWRGUYRKSA-N 0 0 336.207 0.877 10 0 ECAERN CN(Cc1ccco1)C(=O)CN1C[C@@H](O)[C@H](Oc2cnn(C)c2)C1 ZINC000625622604 547180292 /nfs/dbraw/zinc/18/02/92/547180292.db2.gz NBTIPCYOPISTSH-HUUCEWRRSA-N 0 0 334.376 0.096 10 0 ECAERN O=S(=O)(c1ccc2c(c1)CCC2)N1CC[C@@](O)(Cn2ccnn2)C1 ZINC000671431367 548146973 /nfs/dbraw/zinc/14/69/73/548146973.db2.gz LPEIGIUHMTUGJV-MRXNPFEDSA-N 0 0 348.428 0.593 10 0 ECAERN OC[C@H]1O[C@H](n2cnc3c2ncnc3NC2CCCCC2)[C@H](O)[C@@H]1O ZINC000006119254 560205341 /nfs/dbraw/zinc/20/53/41/560205341.db2.gz SZBULDQSDUXAPJ-VSBTWAGUSA-N 0 0 349.391 0.182 10 0 in-vitro ECAERN [NH3+][C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000014945921 571728572 /nfs/dbraw/zinc/72/85/72/571728572.db2.gz FBTYOQIYBULKEH-DZGCQCFKSA-N 0 0 341.371 0.573 10 0 endogenous,in-man ECAERN CC(=O)N1CC(OCC(=O)Nc2nc(C)n(-c3ccccc3)n2)C1 ZINC000891270421 586157647 /nfs/dbraw/zinc/15/76/47/586157647.db2.gz FUVRYVVKYRCCQX-UHFFFAOYSA-N 0 0 329.360 0.762 10 0 ECAERN CC1(C)CN(C(=O)[C@@H]2CCCO[C@H]2c2cn[nH]c2)CCS1(=O)=O ZINC000888075996 586245524 /nfs/dbraw/zinc/24/55/24/586245524.db2.gz MPPYKWDLKXNJKU-OLZOCXBDSA-N 0 0 341.433 0.913 10 0 ECAERN CO[C@@H]1C[C@H](c2ncc[nH]2)N(C(=O)Cn2nc3ccccn3c2=O)C1 ZINC000888077564 586245945 /nfs/dbraw/zinc/24/59/45/586245945.db2.gz IXGPTEUSPQAVEU-VXGBXAGGSA-N 0 0 342.359 0.208 10 0 ECAERN CCCn1[nH]ccc1=NC(=O)CN1C[C@H](OC)C[C@H]1c1nncn1C ZINC000888076396 586246072 /nfs/dbraw/zinc/24/60/72/586246072.db2.gz FYRSVDUXRRGLBL-OLZOCXBDSA-N 0 0 347.423 0.244 10 0 ECAERN CC(C)Cc1noc(CN2CCC[C@](O)(Cc3nncn3C)C2)n1 ZINC000888076770 586246102 /nfs/dbraw/zinc/24/61/02/586246102.db2.gz BEEPOGFXFQZMGV-INIZCTEOSA-N 0 0 334.424 0.966 10 0 ECAERN COC(=O)c1cc(NC(=O)N2CC[C@H](c3cnn(C)c3)C2)nn1C ZINC000889068488 586252993 /nfs/dbraw/zinc/25/29/93/586252993.db2.gz BDFBPHHELPURHO-JTQLQIEISA-N 0 0 332.364 0.962 10 0 ECAERN CCn1cc(O[C@@H]2COC[C@@H]2NC(=O)Cc2cc(C)nn2C)cn1 ZINC000888093611 586348671 /nfs/dbraw/zinc/34/86/71/586348671.db2.gz KQPOGZCQELFBBC-LSDHHAIUSA-N 0 0 333.392 0.450 10 0 ECAERN CN(C)c1nc([C@H]2CCN(C(=O)CCc3ccn(C)n3)C2)cc(=O)[nH]1 ZINC000888095159 586349412 /nfs/dbraw/zinc/34/94/12/586349412.db2.gz SHDGPHDQIPKFSR-LBPRGKRZSA-N 0 0 344.419 0.930 10 0 ECAERN CNC(=O)[C@H]1CC(=O)N(C2CN(C(=O)c3nc(C(C)C)oc3C)C2)C1 ZINC000888099040 586349737 /nfs/dbraw/zinc/34/97/37/586349737.db2.gz ZUOIXIHUJYXHJM-NSHDSACASA-N 0 0 348.403 0.525 10 0 ECAERN CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NS(=O)(=O)c1ncc[n-]1)C2 ZINC000888098203 586349979 /nfs/dbraw/zinc/34/99/79/586349979.db2.gz BINRYEBAOUSCFE-BYNQJWBRSA-N 0 0 328.438 0.168 10 0 ECAERN CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(CCS(=O)(=O)N(C)C)C1 ZINC000888102970 586350675 /nfs/dbraw/zinc/35/06/75/586350675.db2.gz XILOPHKYRMNNTE-OLZOCXBDSA-N 0 0 330.454 0.680 10 0 ECAERN CCN1C(=O)CC[C@H](CNS(=O)(=O)CC)[C@H]1c1cnn(C)c1 ZINC000888102625 586350812 /nfs/dbraw/zinc/35/08/12/586350812.db2.gz CFWBKPKDXOKZFI-RISCZKNCSA-N 0 0 328.438 0.659 10 0 ECAERN CO[C@@H]1C[C@@H](c2nnc(C)[nH]2)N(C(=O)C2C[NH+](C3CCOCC3)C2)C1 ZINC000897708066 586360796 /nfs/dbraw/zinc/36/07/96/586360796.db2.gz JWEZTPCDYAMYSX-CABCVRRESA-N 0 0 349.435 0.512 10 0 ECAERN O=C(C1CCC([NH+]2CCOCC2)CC1)N1CCC[C@@H]1c1nnn[n-]1 ZINC000900389658 586628680 /nfs/dbraw/zinc/62/86/80/586628680.db2.gz WBKWYSUAQYJRTO-JXQTWKCFSA-N 0 0 334.424 0.754 10 0 ECAERN NC(=O)CCC(=O)N1CCN(Cc2cnn(-c3ccccc3)c2)CC1 ZINC000906708433 586969506 /nfs/dbraw/zinc/96/95/06/586969506.db2.gz GFKYVGXMESNCLL-UHFFFAOYSA-N 0 0 341.415 0.782 10 0 ECAERN Cc1nnc2n1C[C@H](C(N)=O)N(C(=O)CCc1cccc(F)c1F)C2 ZINC000818348419 587424159 /nfs/dbraw/zinc/42/41/59/587424159.db2.gz CIRNPCUVLZQYTI-GFCCVEGCSA-N 0 0 349.341 0.694 10 0 ECAERN CCNC(=O)NC(=O)[C@@H](C)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000105820372 589139795 /nfs/dbraw/zinc/13/97/95/589139795.db2.gz PEMULFQTQWGKFR-GDBMZVCRSA-N 0 0 348.447 0.572 10 0 ECAERN CCc1noc([C@H](C)N2CCN(Cn3cc(C(=O)OC)nn3)CC2)n1 ZINC000112070947 589576711 /nfs/dbraw/zinc/57/67/11/589576711.db2.gz YYUVRNVRNGEMTH-NSHDSACASA-N 0 0 349.395 0.346 10 0 ECAERN CCn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2ccc(CO)cc2)cn1 ZINC000855000998 589616797 /nfs/dbraw/zinc/61/67/97/589616797.db2.gz OYLRCAZQNQYLKS-JKSUJKDBSA-N 0 0 331.372 0.972 10 0 ECAERN CCn1cc(O[C@@H]2CN(C(=O)c3nn(CC)nc3C)C[C@H]2O)cn1 ZINC000862339714 589938096 /nfs/dbraw/zinc/93/80/96/589938096.db2.gz DXUAGESEEFMBQJ-CHWSQXEVSA-N 0 0 334.380 0.087 10 0 ECAERN CN(C)c1nc([C@@H]2CCN(C(=O)Cc3ccn(C)n3)C2)cc(=O)[nH]1 ZINC000864833389 590108278 /nfs/dbraw/zinc/10/82/78/590108278.db2.gz IBCJIOSMHZFRBM-LLVKDONJSA-N 0 0 330.392 0.540 10 0 ECAERN CN(C)c1nc([C@H]2CCN(C(=O)Cc3ccn(C)n3)C2)cc(=O)[nH]1 ZINC000864833390 590108589 /nfs/dbraw/zinc/10/85/89/590108589.db2.gz IBCJIOSMHZFRBM-NSHDSACASA-N 0 0 330.392 0.540 10 0 ECAERN OCCOc1cncc(N2CCN(C[C@@H](O)c3ccccc3)CC2)n1 ZINC000132428807 590639464 /nfs/dbraw/zinc/63/94/64/590639464.db2.gz OYOHCGPRYSXFCP-MRXNPFEDSA-N 0 0 344.415 0.703 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)N1CCC(OC(C)=O)CC1)CC2 ZINC000132759178 590661039 /nfs/dbraw/zinc/66/10/39/590661039.db2.gz ARYCDLCPPVFITC-LBPRGKRZSA-N 0 0 335.408 0.892 10 0 ECAERN Cc1nc2ccc(N3CCC[C@@](O)(Cc4nncn4C)C3)nn2n1 ZINC000886065834 590789827 /nfs/dbraw/zinc/78/98/27/590789827.db2.gz ZUXWCLYLAXVRQP-OAHLLOKOSA-N 0 0 328.380 0.135 10 0 ECAERN Cn1ncc(Cl)c1CN1CC[NH+]([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC000886071765 590790101 /nfs/dbraw/zinc/79/01/01/590790101.db2.gz GXUVHPYBQMGCGO-AWEZNQCLSA-N 0 0 328.800 0.435 10 0 ECAERN CO[C@@H]1CN(C(=O)c2cccc3c2OCCO3)C[C@H]1c1cn(C)nn1 ZINC000886075189 590790576 /nfs/dbraw/zinc/79/05/76/590790576.db2.gz FBYUCVASKHEYMF-SWLSCSKDSA-N 0 0 344.371 0.841 10 0 ECAERN CO[C@H]1CCCCN(CC(=O)NCc2nn(C)cc2Cl)C1=O ZINC000886077607 590790624 /nfs/dbraw/zinc/79/06/24/590790624.db2.gz CLRHYZBUKYUOKQ-LBPRGKRZSA-N 0 0 328.800 0.717 10 0 ECAERN Cc1ccc(F)c(C(=O)N2CCN([C@@]3(C(N)=O)CCOC3)CC2)c1 ZINC000886096467 590795318 /nfs/dbraw/zinc/79/53/18/590795318.db2.gz INFRIMBNUBTYPU-KRWDZBQOSA-N 0 0 335.379 0.536 10 0 ECAERN COC(=O)[C@@H]1CCCCN1C(=O)CS[C@H]1CCS(=O)(=O)C1 ZINC000106099700 591168190 /nfs/dbraw/zinc/16/81/90/591168190.db2.gz DFPIWNLKUZAJDE-QWRGUYRKSA-N 0 0 335.447 0.461 10 0 ECAERN Cn1c2ccncc2n(CN2CCO[C@@H](Cn3cccn3)C2)c1=O ZINC000160610769 608689795 /nfs/dbraw/zinc/68/97/95/608689795.db2.gz KEFKMFYZTQGUHU-CYBMUJFWSA-N 0 0 328.376 0.290 10 0 ECAERN C[C@@H](OC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1cccs1 ZINC000051928909 608849696 /nfs/dbraw/zinc/84/96/96/608849696.db2.gz UXMFODSIGVPYFI-SECBINFHSA-N 0 0 348.384 0.800 10 0 ECAERN Cc1nonc1CN1CCN(C(=O)CCC(=O)N2CCCC2)CC1 ZINC000222307814 609021780 /nfs/dbraw/zinc/02/17/80/609021780.db2.gz JAOUWMYCHXHZQI-UHFFFAOYSA-N 0 0 335.408 0.425 10 0 ECAERN CCOC1CC(O)(CNC(=O)C2C[C@H]3CSC[C@@H](C2)C3=O)C1 ZINC000907778637 609620897 /nfs/dbraw/zinc/62/08/97/609620897.db2.gz ODAOBMYSAZNKRE-WQCWHULMSA-N 0 0 327.446 0.991 10 0 ECAERN O=C(NCc1cnc2n1CCCC2)c1coc(CN2CC[C@H](O)C2)n1 ZINC000908085163 609642638 /nfs/dbraw/zinc/64/26/38/609642638.db2.gz OWNKZPCHXBXDGX-ZDUSSCGKSA-N 0 0 345.403 0.704 10 0 ECAERN CN1C(=O)CO[C@@H](C(=O)NCC2(CO)CC2)[C@H]1c1ccccc1F ZINC000223226221 609708799 /nfs/dbraw/zinc/70/87/99/609708799.db2.gz GHCBAUQROFHGIQ-HUUCEWRRSA-N 0 0 336.363 0.613 10 0 ECAERN CCCc1nnc(NC(=O)CCC(=O)NCCC(=O)N(C)C)s1 ZINC000223292026 609709126 /nfs/dbraw/zinc/70/91/26/609709126.db2.gz CWPVSVHTPRNLQX-UHFFFAOYSA-N 0 0 341.437 0.804 10 0 ECAERN CC(=O)N1CCN(c2nc(N3CCOCC3)nc3[nH]c(C)cc32)CC1 ZINC000223952162 609716055 /nfs/dbraw/zinc/71/60/55/609716055.db2.gz UAYXBACYKYYRIL-UHFFFAOYSA-N 0 0 344.419 0.771 10 0 ECAERN Cn1nc(C(=O)N2CCCC2)c2c1CN(C(=O)c1cnccn1)C2 ZINC000169765323 609745389 /nfs/dbraw/zinc/74/53/89/609745389.db2.gz XGOQDFKTEMPVOL-UHFFFAOYSA-N 0 0 326.360 0.602 10 0 ECAERN Cn1cnn(CN2CCN(c3ccc4nncn4n3)CC2)c1=S ZINC000152599306 609868907 /nfs/dbraw/zinc/86/89/07/609868907.db2.gz RZVJXUYWNFHHQW-UHFFFAOYSA-N 0 0 331.409 0.168 10 0 ECAERN COC(=O)c1ncn(CN2CCC[C@@H](Cn3nc(C)nc3C)C2)n1 ZINC000152737975 609877385 /nfs/dbraw/zinc/87/73/85/609877385.db2.gz RETATPHYXASMCO-CYBMUJFWSA-N 0 0 333.396 0.643 10 0 ECAERN CC(C)n1nnnc1C[S@](=O)CCS(=O)(=O)c1ccccc1 ZINC000152950151 609887847 /nfs/dbraw/zinc/88/78/47/609887847.db2.gz SBDMSPXGMZXKKK-NRFANRHFSA-N 0 0 342.446 0.977 10 0 ECAERN CC(C)(C)n1cc(NC(=O)C(=O)N2CC[C@H](N3CCOCC3)C2)cn1 ZINC000153881408 609934120 /nfs/dbraw/zinc/93/41/20/609934120.db2.gz XOCNGCSNHGJUIX-AWEZNQCLSA-N 0 0 349.435 0.510 10 0 ECAERN O=C([C@@H]1CC(=O)N(c2ccc(F)c(F)c2)C1)N1CCOC[C@@H]1CO ZINC000912418972 609956818 /nfs/dbraw/zinc/95/68/18/609956818.db2.gz YWAHOYBDPZBSLM-PWSUYJOCSA-N 0 0 340.326 0.537 10 0 ECAERN O=C(NC[C@]1(CO)COCCN1)[C@@H]1C[C@@]12CCOc1ccccc12 ZINC000913186596 610048110 /nfs/dbraw/zinc/04/81/10/610048110.db2.gz JRLXIYXHLOYMCO-JCGIZDLHSA-N 0 0 332.400 0.194 10 0 ECAERN COC(=O)[C@H](Cn1cc(I)cn1)NC1CC1 ZINC000070678481 610461595 /nfs/dbraw/zinc/46/15/95/610461595.db2.gz PAASMHZBKIIFGO-VIFPVBQESA-N 0 0 335.145 0.781 10 0 ECAERN CCOC(=O)[C@]1(C)CC(=O)N(CN2CC[C@H](c3cnn(C)c3)C2)C1 ZINC000184872762 610907920 /nfs/dbraw/zinc/90/79/20/610907920.db2.gz QIPPYOFNAMJIEO-SUMWQHHRSA-N 0 0 334.420 0.969 10 0 ECAERN CCn1c(C)nnc1Cn1c(Cl)nc2c1c(=O)n(C)c(=O)n2C ZINC000194656365 612252606 /nfs/dbraw/zinc/25/26/06/612252606.db2.gz YDLGEDOFENNMOW-UHFFFAOYSA-N 0 0 337.771 0.055 10 0 ECAERN Nc1ncc(Br)cc1S(=O)(=O)N(CCO)C1CC1 ZINC000050692135 214067479 /nfs/dbraw/zinc/06/74/79/214067479.db2.gz DUHVDOSGAWMQFV-UHFFFAOYSA-N 0 0 336.211 0.572 10 0 ECAERN C[C@H](NC(=O)c1cc(Br)c[nH+]c1NN)c1nn[n-]n1 ZINC000051115885 214079118 /nfs/dbraw/zinc/07/91/18/214079118.db2.gz IGGBANLICRLXFQ-BYPYZUCNSA-N 0 0 327.146 0.134 10 0 ECAERN C[C@@H]1CN(C(=O)c2ccnc(-n3cncn3)c2)C[C@H]1N1CCOCC1 ZINC000173889017 231061728 /nfs/dbraw/zinc/06/17/28/231061728.db2.gz ZEDSIQXEOHBPKM-UKRRQHHQSA-N 0 0 342.403 0.455 10 0 ECAERN C[C@H](CNC(=O)N[C@@H](C)C(=O)NCc1ccccc1)N1CCOCC1 ZINC000056758779 214387318 /nfs/dbraw/zinc/38/73/18/214387318.db2.gz ISGPXHGTTYFXCR-CABCVRRESA-N 0 0 348.447 0.711 10 0 ECAERN CCc1nn(C)c(Cl)c1CN1CCN([C@H]2CCNC2=O)CC1 ZINC000178199882 529767426 /nfs/dbraw/zinc/76/74/26/529767426.db2.gz BHFDMECZORNICG-ZDUSSCGKSA-N 0 0 325.844 0.642 10 0 ECAERN Cc1nccn1C[C@@H]1CCCN1C(=O)CCCN1C(=O)CN(C)C1=O ZINC000177181192 231817417 /nfs/dbraw/zinc/81/74/17/231817417.db2.gz AZYZVAFPMGYUTA-AWEZNQCLSA-N 0 0 347.419 0.857 10 0 ECAERN CC(=O)c1ccc(N2C(=O)C[C@H](SC[C@H]([NH3+])C(=O)[O-])C2=O)cc1 ZINC000100856287 219109386 /nfs/dbraw/zinc/10/93/86/219109386.db2.gz ASLXFXOQPBZWID-RYUDHWBXSA-N 0 0 336.369 0.666 10 0 ECAERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(N(C)C)c(C)c1 ZINC000166900433 529901595 /nfs/dbraw/zinc/90/15/95/529901595.db2.gz SWWVQABTPHAXBQ-AWEZNQCLSA-N 0 0 332.404 0.737 10 0 ECAERN CN1C(=O)C[C@@H](C(=O)N2CCN(C)C(=O)C2)[C@@H]1c1ccc(F)cc1 ZINC000135522355 530044292 /nfs/dbraw/zinc/04/42/92/530044292.db2.gz LTPBGFLJJBYLCI-CJNGLKHVSA-N 0 0 333.363 0.646 10 0 ECAERN CN1C(=O)C[C@@H](C(=O)NCC(=O)NCC2CC2)[C@H]1c1ccc(F)cc1 ZINC000180897962 530044363 /nfs/dbraw/zinc/04/43/63/530044363.db2.gz HMDZUHYGZOMWTP-RHSMWYFYSA-N 0 0 347.390 0.988 10 0 ECAERN CN1C(=O)c2ccc(C(=O)N3CCC[C@@H](n4cncn4)C3)cc2C1=O ZINC000171579395 530046379 /nfs/dbraw/zinc/04/63/79/530046379.db2.gz AADSCZMMOPRHGR-GFCCVEGCSA-N 0 0 339.355 0.981 10 0 ECAERN CCOc1ccnc(N2CCN(CCS(=O)(=O)C(C)C)CC2)n1 ZINC000178223201 232112653 /nfs/dbraw/zinc/11/26/53/232112653.db2.gz NGSYUDJDBNXFEB-UHFFFAOYSA-N 0 0 342.465 0.821 10 0 ECAERN CCNS(=O)(=O)c1ccc(OC)c(C(=O)N2CCN(C)CC2)c1 ZINC000047156931 213833641 /nfs/dbraw/zinc/83/36/41/213833641.db2.gz CSLGTIMIWMUVII-UHFFFAOYSA-N 0 0 341.433 0.381 10 0 ECAERN Cn1cc(CCCNC(=O)[C@H](Cc2ccccc2)NC(N)=O)cn1 ZINC000102650500 219219037 /nfs/dbraw/zinc/21/90/37/219219037.db2.gz DBLPQWWABVQALB-HNNXBMFYSA-N 0 0 329.404 0.749 10 0 ECAERN CCc1cn(C[C@H]([NH2+]Cc2ccc(F)cc2)C(=O)[O-])c(=O)[nH]c1=O ZINC000067896132 215244474 /nfs/dbraw/zinc/24/44/74/215244474.db2.gz IQXLUIRTOPLDIE-ZDUSSCGKSA-N 0 0 335.335 0.481 10 0 ECAERN CN1C(=O)C[C@H](C(=O)N2CCS(=O)CC2)[C@@H]1c1ccc(F)cc1 ZINC000129815142 282639492 /nfs/dbraw/zinc/63/94/92/282639492.db2.gz LFKPVFVVATWRDN-ZFWWWQNUSA-N 0 0 338.404 0.936 10 0 ECAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N(CCOC)CC(F)F ZINC000103391891 219295798 /nfs/dbraw/zinc/29/57/98/219295798.db2.gz YKXZNQWXMJEZJN-NSHDSACASA-N 0 0 342.408 0.931 10 0 ECAERN NS(=O)(=O)[C@H]1C(I)=CN=C[C@@H]1OC1CC1 ZINC000095734653 303442184 /nfs/dbraw/zinc/44/21/84/303442184.db2.gz BWSKKJSFWPDKGK-YUMQZZPRSA-N 0 0 342.158 0.552 10 0 ECAERN O=C(CNC(=O)N1CCN(c2cccc(O)c2)CC1)NCC1CC1 ZINC000183776812 235222394 /nfs/dbraw/zinc/22/23/94/235222394.db2.gz INUHIPADWCHCNG-UHFFFAOYSA-N 0 0 332.404 0.750 10 0 ECAERN O=C(CN1C(=O)c2ccccc2C1=O)N1CCC[C@H](n2cncn2)C1 ZINC000105853258 219561005 /nfs/dbraw/zinc/56/10/05/219561005.db2.gz IBMNNKYNMIWOEP-LBPRGKRZSA-N 0 0 339.355 0.738 10 0 ECAERN CCOc1ccnc(N2CCN(CC(=O)Nc3cc(C)on3)CC2)n1 ZINC000105868333 219568813 /nfs/dbraw/zinc/56/88/13/219568813.db2.gz HOVBBCNFEWOLJM-UHFFFAOYSA-N 0 0 346.391 0.932 10 0 ECAERN NC(=O)NC(=O)CN1CCN(Cc2nc(-c3ccccc3)co2)CC1 ZINC000105868879 219568975 /nfs/dbraw/zinc/56/89/75/219568975.db2.gz UVZDUFDTXMTJKN-UHFFFAOYSA-N 0 0 343.387 0.654 10 0 ECAERN O=C(Cn1ccc(=O)[nH]c1=O)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000128816019 222990243 /nfs/dbraw/zinc/99/02/43/222990243.db2.gz RWJRNMZADQSCAD-NSHDSACASA-N 0 0 341.289 0.826 10 0 ECAERN NC(=O)[C@H]1CN(c2ncnc3c2Cc2ccccc2OC3)CCO1 ZINC000095516714 283356344 /nfs/dbraw/zinc/35/63/44/283356344.db2.gz ODPDGMGEKDXCLA-OAHLLOKOSA-N 0 0 326.356 0.650 10 0 ECAERN CCn1cc([C@H]2CN(C(=O)NCC(C)(C)C(=O)NC)CCO2)cn1 ZINC000189629129 237087144 /nfs/dbraw/zinc/08/71/44/237087144.db2.gz ATBZFEXAWFZNNL-CYBMUJFWSA-N 0 0 337.424 0.758 10 0 ECAERN C[C@@H](NC(=O)c1ccco1)C(=O)N[C@@H](C)C(=O)NCc1ccco1 ZINC000072045366 215998030 /nfs/dbraw/zinc/99/80/30/215998030.db2.gz FGNUEFQMKIKHHP-WDEREUQCSA-N 0 0 333.344 0.812 10 0 ECAERN CN(C)C(=O)CNS(=O)(=O)c1ccc(Br)cc1N ZINC000037225171 213135899 /nfs/dbraw/zinc/13/58/99/213135899.db2.gz QIXQUENRGYYFRP-UHFFFAOYSA-N 0 0 336.211 0.398 10 0 ECAERN Cc1c(C(=O)N2CCN(C)CC2)nnc2nc(C(F)(F)F)nn21 ZINC000072452972 216239912 /nfs/dbraw/zinc/23/99/12/216239912.db2.gz CSYSRKVAPVKWJE-UHFFFAOYSA-N 0 0 329.286 0.234 10 0 ECAERN CCc1nc2nnc3c(ccn(CCCN4CCOCC4)c3=O)n2n1 ZINC000072466705 216247435 /nfs/dbraw/zinc/24/74/35/216247435.db2.gz HSDRWXRREPVCQA-UHFFFAOYSA-N 0 0 343.391 0.119 10 0 ECAERN C[C@@H]1COC[C@@H](C)N1C(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1 ZINC000130876621 223184286 /nfs/dbraw/zinc/18/42/86/223184286.db2.gz YAEBLWUZYFQITF-JMSVASOKSA-N 0 0 330.388 0.742 10 0 ECAERN O=C(Cn1ncc(=O)c2ccccc21)N1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000132031148 223293484 /nfs/dbraw/zinc/29/34/84/223293484.db2.gz BJXSWUCQOSJXDY-DZGCQCFKSA-N 0 0 340.383 0.666 10 0 ECAERN NC(=O)c1ccccc1S(=O)(=O)c1ccc(S(N)(=O)=O)s1 ZINC000211825094 241085799 /nfs/dbraw/zinc/08/57/99/241085799.db2.gz RVSJZYHHEPZIJF-UHFFFAOYSA-N 0 0 346.411 0.327 10 0 ECAERN CCOC(=O)N(c1ccc(OC)cc1)[C@H]1CS(=O)(=O)C[C@H]1O ZINC000227123245 242122166 /nfs/dbraw/zinc/12/21/66/242122166.db2.gz IGZHJWXDMPPWAP-QWHCGFSZSA-N 0 0 329.374 0.816 10 0 ECAERN O=S(=O)(N[C@H]1CCN(c2ncnc3c2CCC3)C1)c1cccnc1 ZINC000075876921 216665168 /nfs/dbraw/zinc/66/51/68/216665168.db2.gz DLAVJRSPTVODOM-LBPRGKRZSA-N 0 0 345.428 0.918 10 0 ECAERN COC(=O)[C@@H](C)NS(=O)(=O)c1ccc(Br)cc1N ZINC000049351912 214002321 /nfs/dbraw/zinc/00/23/21/214002321.db2.gz WEWPBWSGVMOIBK-ZCFIWIBFSA-N 0 0 337.195 0.871 10 0 ECAERN Cn1c(=O)oc2cc(NC(=O)C(=O)N[C@H]3CCCC[C@@H]3CO)ccc21 ZINC000078993052 217169280 /nfs/dbraw/zinc/16/92/80/217169280.db2.gz DDFPPQUDKDARJN-PWSUYJOCSA-N 0 0 347.371 0.737 10 0 ECAERN Cc1nc(CN2CCCN(C(=O)CN3CCCCC3=O)CC2)no1 ZINC000110945960 220082870 /nfs/dbraw/zinc/08/28/70/220082870.db2.gz QMJYAECFBTWGJT-UHFFFAOYSA-N 0 0 335.408 0.425 10 0 ECAERN Cc1noc([C@@H](C)N2CCN(CC(=O)NCc3cccnc3)CC2)n1 ZINC000111228513 220115887 /nfs/dbraw/zinc/11/58/87/220115887.db2.gz CCZTYLMSDOQYMJ-CYBMUJFWSA-N 0 0 344.419 0.768 10 0 ECAERN CC(C)C(=O)NCCNC(=O)N1CCO[C@H](c2nccs2)C1 ZINC000111802472 220192949 /nfs/dbraw/zinc/19/29/49/220192949.db2.gz NXIIUMQXLGTJCI-NSHDSACASA-N 0 0 326.422 0.998 10 0 ECAERN Cc1cnn(C[C@H]2CN(C(=O)c3cccc(C(N)=O)c3)CCO2)c1 ZINC000112063868 220236359 /nfs/dbraw/zinc/23/63/59/220236359.db2.gz JYYWZLCAXFIBPA-OAHLLOKOSA-N 0 0 328.372 0.832 10 0 ECAERN Cc1cnn(C[C@@H]2CN(C(=O)CNC(=O)c3ccccc3)CCO2)c1 ZINC000112117886 220246676 /nfs/dbraw/zinc/24/66/76/220246676.db2.gz DMXYGGJGYJBMOT-INIZCTEOSA-N 0 0 342.399 0.849 10 0 ECAERN NC(=O)CN1CCC(C(=O)NC[C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000091505010 218015712 /nfs/dbraw/zinc/01/57/12/218015712.db2.gz ZNBUFRUZBBEFEF-CQSZACIVSA-N 0 0 339.823 0.687 10 0 ECAERN Cc1c(C(=O)N2CCOC[C@@H]2C(N)=O)cnn1-c1ccc(F)cc1 ZINC000091780745 218065579 /nfs/dbraw/zinc/06/55/79/218065579.db2.gz ARJWHAVZCRJEMR-CQSZACIVSA-N 0 0 332.335 0.646 10 0 ECAERN O=C(C1CC1)N1CCCN(c2cc(N3CCC[C@H]3CO)ncn2)CC1 ZINC000152807708 224014783 /nfs/dbraw/zinc/01/47/83/224014783.db2.gz CCGAFLVFDKDHIM-HNNXBMFYSA-N 0 0 345.447 0.886 10 0 ECAERN O=C1C[C@@H](N2CC[C@@H](N3CCOCC3)C2)C(=O)N1c1ccc(F)cc1 ZINC000247254754 296342932 /nfs/dbraw/zinc/34/29/32/296342932.db2.gz ZGGFRKWWLKRDMG-HZPDHXFCSA-N 0 0 347.390 0.864 10 0 ECAERN O=C(CCS(=O)(=O)C1CCCC1)N1CC[C@@H](N2CCOCC2)C1 ZINC000172750299 207656251 /nfs/dbraw/zinc/65/62/51/207656251.db2.gz VMEPNHSNWYOTDV-CQSZACIVSA-N 0 0 344.477 0.667 10 0 ECAERN CC(=O)N1CCc2cc(C(=O)N[C@@H]3CCc4ncnn4C3)ccc21 ZINC000112651470 220364284 /nfs/dbraw/zinc/36/42/84/220364284.db2.gz ORCBBGLZYSWBTM-CQSZACIVSA-N 0 0 325.372 0.932 10 0 ECAERN CCn1cc(CN2CCCN(C(=O)NCC(=O)N(C)C)CC2)cn1 ZINC000112714313 220384249 /nfs/dbraw/zinc/38/42/49/220384249.db2.gz CREUCZVVYNYVFT-UHFFFAOYSA-N 0 0 336.440 0.209 10 0 ECAERN COCCc1nnc(NC(=O)CN2C(=O)c3ccccc3C2=O)s1 ZINC000095116336 285188099 /nfs/dbraw/zinc/18/80/99/285188099.db2.gz OFXZNXZVUXHVFJ-UHFFFAOYSA-N 0 0 346.368 0.962 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)c1nc3nc(C)cc(C)n3n1)CC2 ZINC000114862164 220769429 /nfs/dbraw/zinc/76/94/29/220769429.db2.gz PRYAJKBRDRLWRD-LLVKDONJSA-N 0 0 340.391 0.640 10 0 ECAERN Cn1nccc1CNC(=O)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000117033549 221025471 /nfs/dbraw/zinc/02/54/71/221025471.db2.gz XUAOSQDBSKUYBG-KRWDZBQOSA-N 0 0 343.431 0.981 10 0 ECAERN CN(C)C(=O)CCNC(=O)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000117034678 221025886 /nfs/dbraw/zinc/02/58/86/221025886.db2.gz UGSUREFXQZOOMY-MRXNPFEDSA-N 0 0 348.447 0.526 10 0 ECAERN CNC(=O)c1cccc(CNC(=O)N2CCN(CCOC)[C@@H](C)C2)c1 ZINC000117480695 221070142 /nfs/dbraw/zinc/07/01/42/221070142.db2.gz BVEBYBRYPXWDID-AWEZNQCLSA-N 0 0 348.447 0.908 10 0 ECAERN Cc1cnn(CCNC(=O)CSCC(=O)Nc2cc(C)on2)c1 ZINC000117811289 221092135 /nfs/dbraw/zinc/09/21/35/221092135.db2.gz KUVGFBDGRAFELG-UHFFFAOYSA-N 0 0 337.405 0.976 10 0 ECAERN Cc1cnn(CCNC(=O)C(=O)Nc2ccc(N3CCCC3)nc2)c1 ZINC000118132970 221128340 /nfs/dbraw/zinc/12/83/40/221128340.db2.gz YMWHASSCYBOUOF-UHFFFAOYSA-N 0 0 342.403 0.942 10 0 ECAERN CC(=O)NCCNC(=O)CCC(=O)NC1C2CC3CC(C2)CC1C3 ZINC000118309049 221139121 /nfs/dbraw/zinc/13/91/21/221139121.db2.gz HORRIEBBUKGMFD-UHFFFAOYSA-N 0 0 335.448 0.960 10 0 ECAERN CNC(=O)[C@]12CCO[C@H]1CCN(S(=O)(=O)c1ccccc1F)C2 ZINC000247940089 257672824 /nfs/dbraw/zinc/67/28/24/257672824.db2.gz IAHKFKTXMYOQAG-ZFWWWQNUSA-N 0 0 342.392 0.741 10 0 ECAERN O=C([C@@H]1CCCO1)N1CCOC[C@]2(CC[C@H](Cn3cccn3)O2)C1 ZINC000247806546 257679551 /nfs/dbraw/zinc/67/95/51/257679551.db2.gz ZUUWQAINJWTJGP-VYDXJSESSA-N 0 0 335.404 0.839 10 0 ECAERN CN(C)c1ncccc1O[C@@H]1CCN(C(=O)CCc2nnc[nH]2)C1 ZINC000328630215 258029381 /nfs/dbraw/zinc/02/93/81/258029381.db2.gz PPSBZXGFIMVQJN-GFCCVEGCSA-N 0 0 330.392 0.878 10 0 ECAERN COc1ccc(C(C)(C)C(=O)NC[C@@H](O)CN2CCOCC2)cc1 ZINC000133019620 533358111 /nfs/dbraw/zinc/35/81/11/533358111.db2.gz NYSCLRMWCZADGJ-OAHLLOKOSA-N 0 0 336.432 0.782 10 0 ECAERN CC[C@@H](O)CCNC(=O)[C@H]1CCC[C@H]1C(=O)NCC[C@@H](O)CC ZINC000156291423 296704508 /nfs/dbraw/zinc/70/45/08/296704508.db2.gz RUZNLAVWGIUVMK-PYHGIMPFSA-N 0 0 328.453 0.957 10 0 ECAERN C[C@H](CO)[C@H](C)NC(=O)[C@@H]1CCC[C@@H]1C(=O)N[C@@H](C)[C@H](C)CO ZINC000245903390 296729258 /nfs/dbraw/zinc/72/92/58/296729258.db2.gz UMCBRTCWTJMQLR-YRKSKIDTSA-N 0 0 328.453 0.669 10 0 ECAERN O=C(CS(=O)(=O)C1CCCC1)N1CCC[C@@H](Cn2cncn2)C1 ZINC000127115298 164673116 /nfs/dbraw/zinc/67/31/16/164673116.db2.gz MMFXMEKZJGCCPZ-CYBMUJFWSA-N 0 0 340.449 0.874 10 0 ECAERN CNC(=O)[C@@H]1CCCN1C(=O)Nc1ccc(F)c(-n2nnnc2C)c1 ZINC000176351401 164891265 /nfs/dbraw/zinc/89/12/65/164891265.db2.gz DNGXAHJQZQKLNC-LBPRGKRZSA-N 0 0 347.354 0.852 10 0 ECAERN COC[C@H](O)CCNC(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000181720494 164946869 /nfs/dbraw/zinc/94/68/69/164946869.db2.gz LPRZFCWJMDIOBD-VXGBXAGGSA-N 0 0 325.413 0.413 10 0 ECAERN CCN1CCCN(C(=O)N[C@H]2CCc3nnc(C(C)C)n3C2)CC1=O ZINC000190202671 165019294 /nfs/dbraw/zinc/01/92/94/165019294.db2.gz PZVAZCSHDFZBNR-ZDUSSCGKSA-N 0 0 348.451 0.980 10 0 ECAERN CCN1CCCN(C(=O)N[C@@H]2CCc3nnc(C(C)C)n3C2)CC1=O ZINC000190202655 165019547 /nfs/dbraw/zinc/01/95/47/165019547.db2.gz PZVAZCSHDFZBNR-CYBMUJFWSA-N 0 0 348.451 0.980 10 0 ECAERN CC(=O)NC1CN(C(=O)[C@H]2CCCN2C(=O)Cc2cccs2)C1 ZINC000190495774 165022515 /nfs/dbraw/zinc/02/25/15/165022515.db2.gz LBJSAIYXLYRWHE-CQSZACIVSA-N 0 0 335.429 0.629 10 0 ECAERN CCN(Cc1ccccc1)C(=O)CNC(=O)N1CCCNC(=O)[C@@H]1C ZINC000191285723 165030825 /nfs/dbraw/zinc/03/08/25/165030825.db2.gz ZLGYSIQQZRNODA-AWEZNQCLSA-N 0 0 346.431 0.955 10 0 ECAERN C[C@H]1C(=O)NCCCN1C(=O)NCCNC(=O)c1ccc(F)cc1 ZINC000191380950 165031042 /nfs/dbraw/zinc/03/10/42/165031042.db2.gz RYXQIKDLYPKZFH-NSHDSACASA-N 0 0 336.367 0.476 10 0 ECAERN Cc1ccc(C(=O)NC[C@H]2CN(C)CCO2)cc1S(C)(=O)=O ZINC000194608915 165070033 /nfs/dbraw/zinc/07/00/33/165070033.db2.gz WXEXTHAUHHPNDE-ZDUSSCGKSA-N 0 0 326.418 0.459 10 0 ECAERN CC(C)n1nnnc1CS(=O)(=O)CC(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000195427592 165081220 /nfs/dbraw/zinc/08/12/20/165081220.db2.gz MICMZQRZJWOFGG-RYUDHWBXSA-N 0 0 343.453 0.673 10 0 ECAERN C[C@H](O)CN1CCN(C(=O)c2cccc(-c3nc[nH]n3)c2)C[C@@H]1C ZINC000245735575 165114185 /nfs/dbraw/zinc/11/41/85/165114185.db2.gz WPUBGVRATDHFJF-STQMWFEESA-N 0 0 329.404 0.999 10 0 ECAERN C[C@H](COCc1ccccc1)NC(=O)[C@H](NC(=O)C1CC1)[C@H](C)O ZINC000245769079 165115516 /nfs/dbraw/zinc/11/55/16/165115516.db2.gz WYWNZDBDKZLOIU-DVOMOZLQSA-N 0 0 334.416 0.984 10 0 ECAERN CN(C)C(=O)c1cc(S(=O)(=O)N2CC[N@@H+]3CCC[C@H]3C2)cn1C ZINC000245960353 165120341 /nfs/dbraw/zinc/12/03/41/165120341.db2.gz DGGKONWKFLATAA-LBPRGKRZSA-N 0 0 340.449 0.196 10 0 ECAERN COC[C@@H](C)S(=O)(=O)N(C)[C@H]1CCCN(c2cccnn2)C1 ZINC000246903356 165147482 /nfs/dbraw/zinc/14/74/82/165147482.db2.gz MIVGRFRIPIGZAQ-OLZOCXBDSA-N 0 0 328.438 0.742 10 0 ECAERN O=C1NCCc2ccc(S(=O)(=O)N3CCN4CCCC[C@H]4C3)cc21 ZINC000246941676 165147955 /nfs/dbraw/zinc/14/79/55/165147955.db2.gz IUPNUKPQALDGRJ-AWEZNQCLSA-N 0 0 349.456 0.831 10 0 ECAERN COCCN1CCN(c2cnn(C)c(=O)c2Br)C[C@@H]1C ZINC000261465645 165211096 /nfs/dbraw/zinc/21/10/96/165211096.db2.gz NQMPDCXDYTYBMM-JTQLQIEISA-N 0 0 345.241 0.700 10 0 ECAERN C[C@H]1OCCN[C@@H]1C(=O)N1CCC(C(=O)NCc2ccccc2)CC1 ZINC000261944195 165267297 /nfs/dbraw/zinc/26/72/97/165267297.db2.gz NHCNDFYRUGGPHH-PBHICJAKSA-N 0 0 345.443 0.918 10 0 ECAERN C[C@H]1OCCN[C@@H]1C(=O)N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000261997130 165273846 /nfs/dbraw/zinc/27/38/46/165273846.db2.gz UEIPFCJJTQAOPE-KBMXLJTQSA-N 0 0 326.437 0.940 10 0 ECAERN CN[C@H](C(=O)NCc1ccnc(-n2ccnc2)c1)c1cnn(C)c1 ZINC000262029898 165278140 /nfs/dbraw/zinc/27/81/40/165278140.db2.gz BKDSAIRNKKEWDD-HNNXBMFYSA-N 0 0 325.376 0.578 10 0 ECAERN CN[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)NC(=O)CO2)c1cnn(C)c1 ZINC000262034715 165278533 /nfs/dbraw/zinc/27/85/33/165278533.db2.gz FMHLHFVUGNYUBV-QFYYESIMSA-N 0 0 343.387 0.889 10 0 ECAERN C[C@H]1OCCN[C@@H]1C(=O)Nc1nc(CN2CCOCC2)cs1 ZINC000262068198 165285545 /nfs/dbraw/zinc/28/55/45/165285545.db2.gz BIXOEQAVLZYWQL-PWSUYJOCSA-N 0 0 326.422 0.291 10 0 ECAERN CCCS(=O)(=O)[N-]c1ccccc1C(=O)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262112876 165293128 /nfs/dbraw/zinc/29/31/28/165293128.db2.gz FMALPXNLGSGRAB-BXUZGUMPSA-N 0 0 341.433 0.148 10 0 ECAERN CN[C@H](C(=O)Nc1ccc(N2CCOCC2)nc1)c1cnn(C)c1 ZINC000262310212 165327721 /nfs/dbraw/zinc/32/77/21/165327721.db2.gz CTZSOWBEKVOXDR-HNNXBMFYSA-N 0 0 330.392 0.551 10 0 ECAERN CCN1CCN(C(=O)Cc2ccc(NC(=O)[C@H]([NH3+])COC)cc2)CC1 ZINC000262360550 165336311 /nfs/dbraw/zinc/33/63/11/165336311.db2.gz VMCWINQBUAKFJQ-MRXNPFEDSA-N 0 0 348.447 0.305 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NS(=O)(=O)C[C@H]2CCCCO2)C1 ZINC000262452588 165351701 /nfs/dbraw/zinc/35/17/01/165351701.db2.gz GHDYFTWOCXUXKM-WXRRBKDZSA-N 0 0 334.438 0.412 10 0 ECAERN Cc1noc(C)c1S(=O)(=O)N[C@H](C)C(=O)Nc1ccc(N)nc1 ZINC000262557302 165361606 /nfs/dbraw/zinc/36/16/06/165361606.db2.gz ZVPHDPMXLSZOPO-MRVPVSSYSA-N 0 0 339.377 0.574 10 0 ECAERN O=C([O-])C[N@H+](CC1CC1)C1CC(NC(=O)c2ccc3nncn3c2)C1 ZINC000262729247 165379497 /nfs/dbraw/zinc/37/94/97/165379497.db2.gz UEVRZHFIGOKDMF-UHFFFAOYSA-N 0 0 343.387 0.787 10 0 ECAERN COCCN1C(=O)N[C@@H]2CN(C(=O)c3ccncc3Cl)CC[C@@H]21 ZINC000299740884 296880966 /nfs/dbraw/zinc/88/09/66/296880966.db2.gz BYQDDJLCERCGQK-OLZOCXBDSA-N 0 0 338.795 0.990 10 0 ECAERN COc1ccc([C@H](CO)N(C)C(=O)N[C@@H]2CCc3ncnn3C2)cc1 ZINC000121787700 221933384 /nfs/dbraw/zinc/93/33/84/221933384.db2.gz YUJIEWLEEJYMBY-HIFRSBDPSA-N 0 0 345.403 0.977 10 0 ECAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)N1CCN(C2CC2)CC1 ZINC000122620913 222124952 /nfs/dbraw/zinc/12/49/52/222124952.db2.gz IWRNXHIBBFXEBO-CYBMUJFWSA-N 0 0 334.424 0.749 10 0 ECAERN CC(C)(C)c1noc(CCC(=O)NC[C@H](O)CN2CCOCC2)n1 ZINC000123560464 222297039 /nfs/dbraw/zinc/29/70/39/222297039.db2.gz YTRNJANLJPCQQN-LBPRGKRZSA-N 0 0 340.424 0.109 10 0 ECAERN CCn1cc(NC(=O)[C@@H](C)NC2=NS(=O)(=O)c3ccccc32)cn1 ZINC000124323940 222411052 /nfs/dbraw/zinc/41/10/52/222411052.db2.gz SFFNNTHCLALXQB-SNVBAGLBSA-N 0 0 347.400 0.969 10 0 ECAERN O=C(CN1CCN(c2nc3ccccc3o2)CC1)N1CCNC1=O ZINC000171559630 227140006 /nfs/dbraw/zinc/14/00/06/227140006.db2.gz FAGXGNZYJGQOTO-UHFFFAOYSA-N 0 0 329.360 0.502 10 0 ECAERN Cc1cnn([C@@H]2CCCN(C(=O)CCN3CCCS3(=O)=O)C2)c1 ZINC000171583747 227153770 /nfs/dbraw/zinc/15/37/70/227153770.db2.gz KWBBYBKLZPHQNX-CQSZACIVSA-N 0 0 340.449 0.781 10 0 ECAERN CCn1cc(NC(=O)N2CCO[C@@H](Cn3cccn3)C2)ccc1=O ZINC000171817019 227297828 /nfs/dbraw/zinc/29/78/28/227297828.db2.gz UEANACUTLXJEJU-CQSZACIVSA-N 0 0 331.376 0.998 10 0 ECAERN Cc1cnn(C[C@@H]2CN(C(=O)NCCC(=O)NC(C)C)CCO2)c1 ZINC000171840085 227311852 /nfs/dbraw/zinc/31/18/52/227311852.db2.gz ZKYUOPDZUPWGLV-AWEZNQCLSA-N 0 0 337.424 0.517 10 0 ECAERN CCS(=O)(=O)NCCNC(=O)N1CCC[C@@H](n2cc(C)cn2)C1 ZINC000171901254 227350835 /nfs/dbraw/zinc/35/08/35/227350835.db2.gz IERROHRQOMNSFK-CYBMUJFWSA-N 0 0 343.453 0.477 10 0 ECAERN CC[C@@H](C(=O)N1CCO[C@@H](Cn2cc(C)cn2)C1)N1CCCC1=O ZINC000173418956 263148877 /nfs/dbraw/zinc/14/88/77/263148877.db2.gz MIWNVSXCIXZKLG-CABCVRRESA-N 0 0 334.420 0.820 10 0 ECAERN Cc1ccc(C[C@@H](CO)NC(=O)NC[C@H](C)N2CCOCC2)cc1 ZINC000191939545 263165848 /nfs/dbraw/zinc/16/58/48/263165848.db2.gz VHMPZCJAKZUILI-RDJZCZTQSA-N 0 0 335.448 0.918 10 0 ECAERN C[C@@H](NCc1nc(N(C)C)no1)c1ccc(S(N)(=O)=O)cc1 ZINC000192777465 263166214 /nfs/dbraw/zinc/16/62/14/263166214.db2.gz GRVIHJKTXAOHEH-SECBINFHSA-N 0 0 325.394 0.634 10 0 ECAERN CCN(CC(=O)Nc1c(F)cccc1F)C(=O)[C@@H]1CNC(=O)C1 ZINC000194769251 263169163 /nfs/dbraw/zinc/16/91/63/263169163.db2.gz YLYJOCRTECOKJZ-VIFPVBQESA-N 0 0 325.315 0.888 10 0 ECAERN NC(=O)[C@@]1(O)CCCN(c2ncccc2C(=O)N2CCCCC2)C1 ZINC000284552885 264227520 /nfs/dbraw/zinc/22/75/20/264227520.db2.gz HMNNFSOCBJCDBJ-QGZVFWFLSA-N 0 0 332.404 0.524 10 0 ECAERN O=C(c1ccn(-c2ccc(F)cc2)n1)N1CC[C@@](O)(c2cn[nH]n2)C1 ZINC000284570279 264228899 /nfs/dbraw/zinc/22/88/99/264228899.db2.gz HYBNYUXTTDDZEA-INIZCTEOSA-N 0 0 342.334 0.863 10 0 ECAERN CO[C@H]1C[C@@H](C(N)=O)N(C(=O)c2ccc(Br)cn2)C1 ZINC000284891753 264252843 /nfs/dbraw/zinc/25/28/43/264252843.db2.gz RHBZCRYSIQZNMQ-WPRPVWTQSA-N 0 0 328.166 0.559 10 0 ECAERN Cc1cc(C(=O)N2C[C@H](COCC(=O)N(C)C)OC(C)(C)C2)[nH]n1 ZINC000284896439 264253135 /nfs/dbraw/zinc/25/31/35/264253135.db2.gz AZGKAUCGSVRHHD-GFCCVEGCSA-N 0 0 338.408 0.443 10 0 ECAERN CCOCCN1CCN([C@@H]2CCCN(c3cnn(C)c3)C2=O)C[C@@H]1C ZINC000119168057 276323091 /nfs/dbraw/zinc/32/30/91/276323091.db2.gz NLZUBXVIPWNBCY-DOTOQJQBSA-N 0 0 349.479 0.958 10 0 ECAERN CC(=O)NC1CN(C(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(F)cc2)C1 ZINC000190524231 278090875 /nfs/dbraw/zinc/09/08/75/278090875.db2.gz GDENWQSBRHCKRA-GDBMZVCRSA-N 0 0 333.363 0.692 10 0 ECAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)c1ccc2c(c1)C(=O)NC2=O ZINC000176285541 279136729 /nfs/dbraw/zinc/13/67/29/279136729.db2.gz DOUICFJKLWFIHG-GFCCVEGCSA-N 0 0 325.328 0.735 10 0 ECAERN CC(C)[C@H](NC(=O)CN1CCOC[C@@H]1C(N)=O)c1ccc(F)cc1 ZINC000092229144 280295390 /nfs/dbraw/zinc/29/53/90/280295390.db2.gz SSZCBIOILLPJLW-ZBFHGGJFSA-N 0 0 337.395 0.825 10 0 ECAERN Cc1cn2c(ncc(C(=O)N[C@@H]3CCc4ncnn4C3)c2=O)s1 ZINC000179934098 281554559 /nfs/dbraw/zinc/55/45/59/281554559.db2.gz WLGBJBGOYCBOBU-SECBINFHSA-N 0 0 330.373 0.401 10 0 ECAERN COc1ccc(-n2ccc(CNC(=O)N3CC(NC(C)=O)C3)n2)cc1 ZINC000189953359 437612216 /nfs/dbraw/zinc/61/22/16/437612216.db2.gz RIJDFWJQGGXEPJ-UHFFFAOYSA-N 0 0 343.387 0.911 10 0 ECAERN CC(=O)NC1CN(C(=O)NCc2ccc(CN3CCCC3=O)cc2)C1 ZINC000189939159 437612457 /nfs/dbraw/zinc/61/24/57/437612457.db2.gz KKYVVBLLBRUVJZ-UHFFFAOYSA-N 0 0 344.415 0.839 10 0 ECAERN CN(C)C[C@H]1CN(C(=O)c2ccccc2S(C)(=O)=O)CCO1 ZINC000116787946 289217439 /nfs/dbraw/zinc/21/74/39/289217439.db2.gz AUFYYCOZLYJWGU-LBPRGKRZSA-N 0 0 326.418 0.493 10 0 ECAERN NC(=O)[C@@H]1COCCN1C(=O)c1cc(Cl)ncc1Br ZINC000291640939 437614851 /nfs/dbraw/zinc/61/48/51/437614851.db2.gz ITGDHILVZSHGBO-QMMMGPOBSA-N 0 0 348.584 0.824 10 0 ECAERN CCN(C[C@@H](O)C(F)(F)F)C(=O)NC[C@H](C)N1CCOCC1 ZINC000190201783 437620172 /nfs/dbraw/zinc/62/01/72/437620172.db2.gz XKDGVTZECXARBA-WDEREUQCSA-N 0 0 327.347 0.662 10 0 ECAERN COc1ccc(C(=O)N2CCOC[C@H]2C(N)=O)cc1Br ZINC000158163278 295087485 /nfs/dbraw/zinc/08/74/85/295087485.db2.gz XAKVCHWIWUKUIC-JTQLQIEISA-N 0 0 343.177 0.784 10 0 ECAERN O=C([C@@H]1CCN1Cc1ccccc1)N1CCC[C@]2(C1)NC(=O)NC2=O ZINC000333364289 297128146 /nfs/dbraw/zinc/12/81/46/297128146.db2.gz YELUAYZONGAZIK-KBXCAEBGSA-N 0 0 342.399 0.462 10 0 ECAERN C[C@@H](C(=O)N(C)CC(=O)N1CCC[C@@H](c2nnc[nH]2)C1)n1cccn1 ZINC000333599272 297144420 /nfs/dbraw/zinc/14/44/20/297144420.db2.gz YHBNJZVNZRCWSG-QWHCGFSZSA-N 0 0 345.407 0.427 10 0 ECAERN CCn1cnnc1[C@@H]1CN(C(=O)C(F)(F)C2(O)CCC2)CCO1 ZINC000364673511 300377288 /nfs/dbraw/zinc/37/72/88/300377288.db2.gz NFLHPGZRDSZSNM-JTQLQIEISA-N 0 0 330.335 0.748 10 0 ECAERN COC(=O)[C@@H](C)CN(C)C(=O)[C@H](C)N1C(=O)c2ccccc2C1=O ZINC000071635879 436006991 /nfs/dbraw/zinc/00/69/91/436006991.db2.gz QQZNEHIEZMTUIG-QWRGUYRKSA-N 0 0 332.356 0.939 10 0 ECAERN Nc1ncnc2c1c(-c1cccs1)cn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC000072106752 436035043 /nfs/dbraw/zinc/03/50/43/436035043.db2.gz NDCVWNGSVILVCE-PMXXHBEXSA-N 0 0 348.384 0.354 10 0 ECAERN CCCn1c(=O)c2c(ncn2CCC[C@H](O)[C@H](C)O)n(CC)c1=O ZINC000013887179 436066407 /nfs/dbraw/zinc/06/64/07/436066407.db2.gz QWFXGJOMPNQZNP-RYUDHWBXSA-N 0 0 338.408 0.312 10 0 ECAERN Cc1nc2nc(N)nn2c(C)c1CCC(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000073725272 436092259 /nfs/dbraw/zinc/09/22/59/436092259.db2.gz NQOVOYXUJXJOSA-GWCFXTLKSA-N 0 0 332.408 0.940 10 0 ECAERN CC(=O)Nc1ccc(S(=O)(=O)NC[C@H]2CN(C)CCO2)cc1 ZINC000074773702 436140125 /nfs/dbraw/zinc/14/01/25/436140125.db2.gz OFCBAUKCPILRJS-ZDUSSCGKSA-N 0 0 327.406 0.254 10 0 ECAERN CCCCN1CCOC[C@@H]1C(=O)N1CCS(=O)(=O)C[C@@H](C)C1 ZINC000373896341 301086927 /nfs/dbraw/zinc/08/69/27/301086927.db2.gz ROBZSERTUZDZNN-UONOGXRCSA-N 0 0 332.466 0.380 10 0 ECAERN NC(=O)[C@@]1(O)CCCN(C(=O)[C@H]2CCCN(CC(F)(F)F)C2)C1 ZINC000375783351 301208761 /nfs/dbraw/zinc/20/87/61/301208761.db2.gz RGADPVZBXWLODP-GXFFZTMASA-N 0 0 337.342 0.100 10 0 ECAERN CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000377473302 301352418 /nfs/dbraw/zinc/35/24/18/301352418.db2.gz DCDMODVCKZQQLC-RDBSUJKOSA-N 0 0 346.449 0.902 10 0 ECAERN C[C@@H]1COC[C@H](C)N1CC(=O)N(CCC(N)=O)Cc1ccccc1 ZINC000077366299 436233624 /nfs/dbraw/zinc/23/36/24/436233624.db2.gz VSJVRURSUWZNSK-GASCZTMLSA-N 0 0 333.432 1.000 10 0 ECAERN Cc1nnnn1-c1cc(NC(=O)C(=O)N[C@H](C)C2CC2)ccc1F ZINC000076095363 436192319 /nfs/dbraw/zinc/19/23/19/436192319.db2.gz JMDIJERWDVJQSL-MRVPVSSYSA-N 0 0 332.339 0.963 10 0 ECAERN C[C@H]1C[C@@H](O)CN(C(=O)Cn2cc(Br)ccc2=O)C1 ZINC000401897439 301457145 /nfs/dbraw/zinc/45/71/45/301457145.db2.gz LDUMTSWYUCXDQL-GXSJLCMTSA-N 0 0 329.194 0.840 10 0 ECAERN Cc1nnsc1C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000040215492 436263313 /nfs/dbraw/zinc/26/33/13/436263313.db2.gz ZJFUUBSAJOUAAS-SSDOTTSWSA-N 0 0 326.403 0.985 10 0 ECAERN Cc1ccc([C@@H](C)NC(=O)N(C)C[C@@H](O)CN2CCOCC2)o1 ZINC000083695274 436375294 /nfs/dbraw/zinc/37/52/94/436375294.db2.gz IQTBSHFLVLQUHT-ZIAGYGMSSA-N 0 0 325.409 0.984 10 0 ECAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)Cn1nc2ccccn2c1=O ZINC000087563150 436398901 /nfs/dbraw/zinc/39/89/01/436398901.db2.gz PHKXFWAOUKCSOK-LLVKDONJSA-N 0 0 341.375 0.301 10 0 ECAERN Cn1cc(C(=O)NC[C@H](O)CN2CCOCC2)c(-c2ccccc2)n1 ZINC000091036185 436439164 /nfs/dbraw/zinc/43/91/64/436439164.db2.gz WVYAPAFWSXZPBT-HNNXBMFYSA-N 0 0 344.415 0.510 10 0 ECAERN CCc1nnc(CS(=O)(=O)[C@H](C)C(=O)N2CCC(C)CC2)n1C ZINC000091049501 436439787 /nfs/dbraw/zinc/43/97/87/436439787.db2.gz NRMRDQBQMYIMLS-GFCCVEGCSA-N 0 0 342.465 0.939 10 0 ECAERN NC(=O)[C@H]1COCCN1C(=O)c1cccc(-c2noc(C3CC3)n2)c1 ZINC000091783696 436461228 /nfs/dbraw/zinc/46/12/28/436461228.db2.gz UCIGQQGAMIZNLL-CYBMUJFWSA-N 0 0 342.355 0.940 10 0 ECAERN C[C@@H](CNC(=O)NCc1cccnc1-n1cccn1)N1CCOCC1 ZINC000048996605 436463148 /nfs/dbraw/zinc/46/31/48/436463148.db2.gz WJFUXUUFHXLGEO-AWEZNQCLSA-N 0 0 344.419 0.787 10 0 ECAERN COC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N1C(=O)c2ccccc2C1=O ZINC000096560705 436534747 /nfs/dbraw/zinc/53/47/47/436534747.db2.gz IIDYYTHRKSZXDK-GWCFXTLKSA-N 0 0 330.340 0.835 10 0 ECAERN CCCNC(=O)c1cccc(CNC(=O)NC[C@@H]2CN(C)CCO2)c1 ZINC000104788894 436563321 /nfs/dbraw/zinc/56/33/21/436563321.db2.gz IAKKPQHYSQDRFB-MRXNPFEDSA-N 0 0 348.447 0.956 10 0 ECAERN CC(C)(C)n1cc(CN2CCN(CCN3C(=O)CNC3=O)CC2)cn1 ZINC000105866162 436583846 /nfs/dbraw/zinc/58/38/46/436583846.db2.gz IXCKGVQLFAVYNR-UHFFFAOYSA-N 0 0 348.451 0.308 10 0 ECAERN COC(=O)C1(NC(=O)CN2CCC[C@@H](n3cncn3)C2)CCCCC1 ZINC000105898943 436586872 /nfs/dbraw/zinc/58/68/72/436586872.db2.gz AEFPKYSLGAZHKR-CQSZACIVSA-N 0 0 349.435 0.907 10 0 ECAERN COc1ccccc1C(=O)NCC(=O)N1CCC[C@H](n2cncn2)C1 ZINC000105908007 436586930 /nfs/dbraw/zinc/58/69/30/436586930.db2.gz WBGACHPEXZYNEW-ZDUSSCGKSA-N 0 0 343.387 0.880 10 0 ECAERN CN(C)c1nc(N)nc(CN(C)[C@H]2CCCN(c3cccnn3)C2)n1 ZINC000106077275 436589864 /nfs/dbraw/zinc/58/98/64/436589864.db2.gz AWYIYIZBONBESX-LBPRGKRZSA-N 0 0 343.439 0.411 10 0 ECAERN C[C@@H](c1nc(N)nc(N(C)C)n1)N1CCO[C@H](Cn2cccn2)C1 ZINC000106191530 436590355 /nfs/dbraw/zinc/59/03/55/436590355.db2.gz OJJHFPZCWKBSOK-RYUDHWBXSA-N 0 0 332.412 0.178 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)c2cc(C)nc3c2c(=O)[nH]n3C)CC1 ZINC000106395258 436593774 /nfs/dbraw/zinc/59/37/74/436593774.db2.gz SYUAWICCLRDCIU-GFCCVEGCSA-N 0 0 347.419 0.099 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)c2ccnc(-n3cncn3)c2)CC1 ZINC000106395395 436593886 /nfs/dbraw/zinc/59/38/86/436593886.db2.gz JTCNJMPCBSCUNI-AWEZNQCLSA-N 0 0 330.392 0.191 10 0 ECAERN CNC(=O)c1cncc(/C=C/C(=O)N2CCC[C@@H]2C(=O)N(C)C)c1 ZINC000110612988 436627953 /nfs/dbraw/zinc/62/79/53/436627953.db2.gz QNIJEGBRWQJDAK-PSKZRQQASA-N 0 0 330.388 0.534 10 0 ECAERN Cc1cnn(C[C@H]2CN(C(=O)[C@H]3CCCN(C(N)=O)C3)CCO2)c1 ZINC000112066695 436632444 /nfs/dbraw/zinc/63/24/44/436632444.db2.gz ZBJHFJAZYLYKAH-UONOGXRCSA-N 0 0 335.408 0.210 10 0 ECAERN O=C(NCCc1ccc2c(c1)OCO2)N[C@H]1CCc2ncnn2C1 ZINC000112741083 436634137 /nfs/dbraw/zinc/63/41/37/436634137.db2.gz AMNKXQZSDRBCLX-LBPRGKRZSA-N 0 0 329.360 0.864 10 0 ECAERN Cc1cnn([C@@H]2CCCN(C(=O)NCCN3C(=O)CCC3=O)C2)c1 ZINC000114029657 436639383 /nfs/dbraw/zinc/63/93/83/436639383.db2.gz GGHGATUZYGUMOW-CYBMUJFWSA-N 0 0 333.392 0.687 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1cnn3ccc(C)nc13)CC2 ZINC000114866523 436644436 /nfs/dbraw/zinc/64/44/36/436644436.db2.gz YKJBVLIQRUFJMK-NSHDSACASA-N 0 0 325.376 0.936 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)CNC(=O)Cc1ccccc1)CC2 ZINC000114867655 436644890 /nfs/dbraw/zinc/64/48/90/436644890.db2.gz XUDPJDNHMMOGBX-CQSZACIVSA-N 0 0 341.415 0.630 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)NCCC(=O)N1CCCCC1)CC2 ZINC000114926437 436645221 /nfs/dbraw/zinc/64/52/21/436645221.db2.gz CUXGZXQMEGEYFB-CYBMUJFWSA-N 0 0 348.451 0.857 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)NCC(=O)NC1CCCCC1)CC2 ZINC000114948155 436645265 /nfs/dbraw/zinc/64/52/65/436645265.db2.gz YUQLYKYLCHZVCT-ZDUSSCGKSA-N 0 0 348.451 0.903 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)N(C)CC(=O)NC(C)(C)C)CC2 ZINC000114976133 436645550 /nfs/dbraw/zinc/64/55/50/436645550.db2.gz GICGMIPDAIFVBA-NSHDSACASA-N 0 0 336.440 0.711 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)N1CCC(C3OCCO3)CC1)CC2 ZINC000114978526 436645944 /nfs/dbraw/zinc/64/59/44/436645944.db2.gz VLZMLPZWFSGHJS-ZDUSSCGKSA-N 0 0 349.435 0.950 10 0 ECAERN CC(=O)NCCNC(=O)N1CCCN(Cc2csc(C)n2)CC1 ZINC000116521272 436650485 /nfs/dbraw/zinc/65/04/85/436650485.db2.gz JOIHEEJWHIZUFF-UHFFFAOYSA-N 0 0 339.465 0.805 10 0 ECAERN COCCNC(=O)N1CC[C@]2(C1)c1cc(OC)ccc1N(C)C2=O ZINC000065249511 436651856 /nfs/dbraw/zinc/65/18/56/436651856.db2.gz MTJZXLDIUWTXHQ-KRWDZBQOSA-N 0 0 333.388 0.971 10 0 ECAERN Cc1noc(C)c1CC(=O)N1CC[C@H](n2c(=O)[nH]c3cncnc32)C1 ZINC000065256763 436653804 /nfs/dbraw/zinc/65/38/04/436653804.db2.gz CCKKUFMDFXJMNB-NSHDSACASA-N 0 0 342.359 0.741 10 0 ECAERN Cc1nccc(CNC(=O)N2CCCN(Cc3cnn(C)c3)CC2)n1 ZINC000115805902 436648665 /nfs/dbraw/zinc/64/86/65/436648665.db2.gz JVPNAXXVBORKMV-UHFFFAOYSA-N 0 0 343.435 0.936 10 0 ECAERN Cn1cc([C@@H]2CCN(C(=O)CCCN3C(=O)NC(C)(C)C3=O)C2)cn1 ZINC000116121140 436648973 /nfs/dbraw/zinc/64/89/73/436648973.db2.gz DINXABDJCNLUNQ-GFCCVEGCSA-N 0 0 347.419 0.847 10 0 ECAERN Cn1ncc2c1nc(C(=O)NC1CCCC1)nc2N1CCOCC1 ZINC000065257091 436654706 /nfs/dbraw/zinc/65/47/06/436654706.db2.gz OIGWOTHUJOHENP-UHFFFAOYSA-N 0 0 330.392 0.872 10 0 ECAERN CCNC(=O)C1CN(C(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccc(F)cc2)C1 ZINC000120638334 436695506 /nfs/dbraw/zinc/69/55/06/436695506.db2.gz JXNDIAXBDSHMQX-HOCLYGCPSA-N 0 0 347.390 0.940 10 0 ECAERN Cn1cc([C@@H]2CN(c3cc(=O)n4ccccc4n3)C[C@H]2CO)cn1 ZINC000225517616 436711948 /nfs/dbraw/zinc/71/19/48/436711948.db2.gz DBJOPRSENIVBTC-KBPBESRZSA-N 0 0 325.372 0.640 10 0 ECAERN CC[C@H](C)NC(=O)CN1CCN(Cc2nnc(C(C)C)n2C)CC1 ZINC000195058906 436677504 /nfs/dbraw/zinc/67/75/04/436677504.db2.gz FJMLNRHHZOZPOV-AWEZNQCLSA-N 0 0 336.484 0.971 10 0 ECAERN CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)N[C@H]1CCCn2ncnc21 ZINC000151879727 436714523 /nfs/dbraw/zinc/71/45/23/436714523.db2.gz JKVFRVUDURRLNA-VHSXEESVSA-N 0 0 329.426 0.193 10 0 ECAERN CCOC1CC(CNC(=O)[C@@H]2CC[C@@H](C)O2)(N2CCOCC2)C1 ZINC000195198475 436682294 /nfs/dbraw/zinc/68/22/94/436682294.db2.gz ZVIDGHLTJKWYPJ-GJEMEMOUSA-N 0 0 326.437 0.940 10 0 ECAERN CO[C@@H](C)CS(=O)(=O)N1CCN([C@H](C)c2nc(C)no2)CC1 ZINC000195240644 436684457 /nfs/dbraw/zinc/68/44/57/436684457.db2.gz CQJRXXCZIHESPK-WDEREUQCSA-N 0 0 332.426 0.421 10 0 ECAERN CCc1ccc(S(C)(=O)=O)cc1C(=O)NC[C@@H]1CN(C)CCO1 ZINC000121750316 436723280 /nfs/dbraw/zinc/72/32/80/436723280.db2.gz BTZAUXSQKRYUCI-CYBMUJFWSA-N 0 0 340.445 0.713 10 0 ECAERN C[C@H](NC(=O)NCc1nnc2n1CCCC2)C(=O)N1CCCCC1 ZINC000152339839 436726902 /nfs/dbraw/zinc/72/69/02/436726902.db2.gz YYPYJWFWRWPFAB-LBPRGKRZSA-N 0 0 334.424 0.815 10 0 ECAERN C[C@H]1CC[C@H](C(=O)Nc2cnn(CC(=O)N3CCN(C)CC3)c2)O1 ZINC000152503006 436731738 /nfs/dbraw/zinc/73/17/38/436731738.db2.gz IHNBGOMIFVMBQY-GXTWGEPZSA-N 0 0 335.408 0.163 10 0 ECAERN O[C@@H](COC1CCOCC1)CN1CCO[C@@H](Cn2cccn2)C1 ZINC000245874191 436767505 /nfs/dbraw/zinc/76/75/05/436767505.db2.gz QFDUBCXTZJEOOL-GDBMZVCRSA-N 0 0 325.409 0.140 10 0 ECAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)N1CCNC(=O)[C@H]1C(C)C ZINC000153131091 436748463 /nfs/dbraw/zinc/74/84/63/436748463.db2.gz KOUMCGACSFVHHG-DGCLKSJQSA-N 0 0 334.424 0.841 10 0 ECAERN Cc1noc([C@@H]2COCCN2C[C@H]2CCCN(S(C)(=O)=O)C2)n1 ZINC000249296703 436819105 /nfs/dbraw/zinc/81/91/05/436819105.db2.gz MPFAFWJVIUOBRU-OLZOCXBDSA-N 0 0 344.437 0.423 10 0 ECAERN COCCOCCS(=O)(=O)N1CCC[C@@H]1Cn1ccnc1C ZINC000155047273 436788458 /nfs/dbraw/zinc/78/84/58/436788458.db2.gz UQDHZIAPZGGACR-CQSZACIVSA-N 0 0 331.438 0.649 10 0 ECAERN C[C@H](CNC(=O)NCCC(=O)NCc1ccccc1)N1CCOCC1 ZINC000155179908 436792209 /nfs/dbraw/zinc/79/22/09/436792209.db2.gz BZSVFNMTSGGCAK-OAHLLOKOSA-N 0 0 348.447 0.713 10 0 ECAERN CCOCCN1CCN(C(=O)N[C@H](C)C[S@](C)=O)C[C@@H]1CC ZINC000248505227 436804249 /nfs/dbraw/zinc/80/42/49/436804249.db2.gz WADURQSMYKVLAA-QLEMLULZSA-N 0 0 333.498 0.896 10 0 ECAERN C[C@H]1C[C@@H]1c1cc(NC(=O)c2cn(CC(=O)N3CCCC3)nn2)n[nH]1 ZINC000253425681 436844959 /nfs/dbraw/zinc/84/49/59/436844959.db2.gz GNIQREFOIGMQIA-QWRGUYRKSA-N 0 0 343.391 0.999 10 0 ECAERN C[C@@H]1C[C@@H]1c1cc(NC(=O)c2cn(CC(=O)N3CCCC3)nn2)n[nH]1 ZINC000253425672 436846668 /nfs/dbraw/zinc/84/66/68/436846668.db2.gz GNIQREFOIGMQIA-MNOVXSKESA-N 0 0 343.391 0.999 10 0 ECAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCCc1nc(C)no1 ZINC000131715200 436854157 /nfs/dbraw/zinc/85/41/57/436854157.db2.gz HOIYDTBZAWVDJE-LLVKDONJSA-N 0 0 330.410 0.241 10 0 ECAERN O=C([C@@H]1COc2ccccc2O1)N1CCCOCCNC(=O)CC1 ZINC000257175339 436857524 /nfs/dbraw/zinc/85/75/24/436857524.db2.gz ATBIDFWUTSDXBK-HNNXBMFYSA-N 0 0 334.372 0.582 10 0 ECAERN CNC(=O)[C@@H]1CN(C(=O)c2cc(-c3ccc(C)cc3)n[nH]2)C[C@H]1CO ZINC000257187767 436857617 /nfs/dbraw/zinc/85/76/17/436857617.db2.gz MCCOQTDJQCLDTE-UONOGXRCSA-N 0 0 342.399 0.812 10 0 ECAERN C[C@@H]1CN(C(=O)Cc2csc(-c3cccnc3)n2)C[C@@H](C(N)=O)O1 ZINC000157439192 436828651 /nfs/dbraw/zinc/82/86/51/436828651.db2.gz KBHWKAGDLHXPGG-MFKMUULPSA-N 0 0 346.412 0.849 10 0 ECAERN C[C@@H]1CN(C(=O)c2cn(Cc3ccccc3)nn2)C[C@@H](C(N)=O)O1 ZINC000157534828 436829261 /nfs/dbraw/zinc/82/92/61/436829261.db2.gz MNDZAXFFXKOAMC-RISCZKNCSA-N 0 0 329.360 0.041 10 0 ECAERN CNC(=O)[C@H]1CCCN1C(=O)NCC(=O)N1CCc2ccccc21 ZINC000157915889 436836115 /nfs/dbraw/zinc/83/61/15/436836115.db2.gz LLNDVBYUYWLERK-CQSZACIVSA-N 0 0 330.388 0.496 10 0 ECAERN C[C@H](NC(=O)c1ccccc1OCC(N)=O)c1nnc2n1CCCC2 ZINC000135295938 436915421 /nfs/dbraw/zinc/91/54/21/436915421.db2.gz BMCXODMTEJWPSV-NSHDSACASA-N 0 0 343.387 0.970 10 0 ECAERN CN1C(=O)C[C@H](C(=O)N2CCN(C)C(=O)C2)[C@@H]1c1ccc(F)cc1 ZINC000135522377 436918392 /nfs/dbraw/zinc/91/83/92/436918392.db2.gz LTPBGFLJJBYLCI-BBRMVZONSA-N 0 0 333.363 0.646 10 0 ECAERN O=C([C@H]1CNC(=O)C1)N1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000135506138 436918832 /nfs/dbraw/zinc/91/88/32/436918832.db2.gz RVKYICNXXOXHIE-GFCCVEGCSA-N 0 0 333.392 0.117 10 0 ECAERN O=C(Cn1cnnn1)N1CCN(C(=O)[C@H]2C[C@@H]2C2CCCCC2)CC1 ZINC000163261884 436921656 /nfs/dbraw/zinc/92/16/56/436921656.db2.gz DBWKXRUTFIUFEN-CABCVRRESA-N 0 0 346.435 0.560 10 0 ECAERN CCN1CCO[C@@H](CNc2cnn(C)c(=O)c2Br)C1 ZINC000134580805 436900275 /nfs/dbraw/zinc/90/02/75/436900275.db2.gz AZKTXXKFGRWXQW-VIFPVBQESA-N 0 0 331.214 0.675 10 0 ECAERN NC(=O)c1ccc(N2CCN(C(=O)[C@H]3CC(F)(F)CN3)CC2)cc1 ZINC000263301527 436962035 /nfs/dbraw/zinc/96/20/35/436962035.db2.gz XBIZYGRMZTVRBL-CYBMUJFWSA-N 0 0 338.358 0.431 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)NC[C@@H]2CCCC[C@H]2O)C1 ZINC000263505635 436970154 /nfs/dbraw/zinc/97/01/54/436970154.db2.gz WZOPQIUYHHHFAD-GFJIZPEISA-N 0 0 327.425 0.774 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC([NH2+]CCN2C(=O)c3ccccc3C2=O)C1 ZINC000263515481 436970200 /nfs/dbraw/zinc/97/02/00/436970200.db2.gz ONJKTZDRDTXVMO-UHFFFAOYSA-N 0 0 345.399 0.810 10 0 ECAERN CN(C)c1ncc(NC(=O)C(=O)N2CCC(c3cc[nH]n3)CC2)cn1 ZINC000164265937 436930595 /nfs/dbraw/zinc/93/05/95/436930595.db2.gz ODJGZOHJFFYWOG-UHFFFAOYSA-N 0 0 343.391 0.610 10 0 ECAERN C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCC([N@H+](C)CC(=O)[O-])CC2)C1 ZINC000262920826 436945393 /nfs/dbraw/zinc/94/53/93/436945393.db2.gz KWXCEAGCHPRMQJ-ZIAGYGMSSA-N 0 0 325.453 0.972 10 0 ECAERN C[N@@H+](CC(=O)[O-])C[C@@H]1CN(C(=O)c2cc(F)ccc2F)CCO1 ZINC000262964154 436946428 /nfs/dbraw/zinc/94/64/28/436946428.db2.gz QOZJWWPMVPHZIS-LLVKDONJSA-N 0 0 328.315 0.822 10 0 ECAERN C[N@@H+](CC(=O)[O-])C[C@@H]1CN(C(=O)c2ccc(F)c(F)c2)CCO1 ZINC000262972569 436947068 /nfs/dbraw/zinc/94/70/68/436947068.db2.gz SBYZNTDJSYCXLB-LLVKDONJSA-N 0 0 328.315 0.822 10 0 ECAERN O=C([C@H]1CC(F)(F)CN1)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000263205624 436956077 /nfs/dbraw/zinc/95/60/77/436956077.db2.gz JQHDHVFEEXAJLF-WDEREUQCSA-N 0 0 337.392 0.010 10 0 ECAERN O=C(NC[C@@H]1CCCC[C@@H]1O)C(=O)Nc1ccccc1-n1ccnn1 ZINC000172664838 437025196 /nfs/dbraw/zinc/02/51/96/437025196.db2.gz OUHOCASTWLUCSL-WFASDCNBSA-N 0 0 343.387 0.873 10 0 ECAERN CCOCCN1CCN(C(=O)CN2CCCCCC2=O)C[C@@H]1C ZINC000172221299 437003663 /nfs/dbraw/zinc/00/36/63/437003663.db2.gz OYQHAXRKJOTBCX-HNNXBMFYSA-N 0 0 325.453 0.958 10 0 ECAERN COCCN1CCN(C(=O)NCCNC(=O)C(C)(C)C)C[C@H]1C ZINC000172333252 437011030 /nfs/dbraw/zinc/01/10/30/437011030.db2.gz CYSCGMJGZSUAEU-CYBMUJFWSA-N 0 0 328.457 0.511 10 0 ECAERN CNc1cc(N2CCC[C@@H]2CNC(=O)CCCC(=O)N(C)C)ncn1 ZINC000173418058 437047549 /nfs/dbraw/zinc/04/75/49/437047549.db2.gz WEGNKEBCOQBUNB-CYBMUJFWSA-N 0 0 348.451 0.862 10 0 ECAERN CCN1CCN(C(=O)N[C@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 ZINC000173571906 437059142 /nfs/dbraw/zinc/05/91/42/437059142.db2.gz UFPPZQIGPBFJJC-AWEZNQCLSA-N 0 0 348.451 0.571 10 0 ECAERN Cc1nnc([C@H]2CN(Cc3nnnn3-c3ccccc3)CCO2)[nH]1 ZINC000173655712 437059511 /nfs/dbraw/zinc/05/95/11/437059511.db2.gz XCCBZRYQYIGKGU-CYBMUJFWSA-N 0 0 326.364 0.662 10 0 ECAERN CC(=O)NCCCCCC(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000173802985 437063227 /nfs/dbraw/zinc/06/32/27/437063227.db2.gz ZUTWHFNTEZOFCR-GOEBONIOSA-N 0 0 325.453 0.862 10 0 ECAERN CCCNC(=O)CCC(=O)N[C@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000174985731 437091748 /nfs/dbraw/zinc/09/17/48/437091748.db2.gz AMYCYMHCWWJZGV-ZDUSSCGKSA-N 0 0 349.435 0.647 10 0 ECAERN COCCN1C(=O)N[C@@H]2CN(c3ncnc(N)c3Cl)CC[C@@H]21 ZINC000299740954 437106965 /nfs/dbraw/zinc/10/69/65/437106965.db2.gz CIFYLLKHZRNJBM-BDAKNGLRSA-N 0 0 326.788 0.331 10 0 ECAERN C[C@@H]1CN([C@@H](CNC(=O)[C@H]2CNC(=O)C2)c2cccs2)CCO1 ZINC000176579867 437148078 /nfs/dbraw/zinc/14/80/78/437148078.db2.gz RBHKUOVGIWWQSM-UPJWGTAASA-N 0 0 337.445 0.762 10 0 ECAERN CCN(CC)C(=O)[C@H]1CCCN1C(=O)NCc1ccc(C(N)=O)o1 ZINC000176642666 437152630 /nfs/dbraw/zinc/15/26/30/437152630.db2.gz ZODRJGKECMRXKV-GFCCVEGCSA-N 0 0 336.392 0.921 10 0 ECAERN CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1 ZINC000177015169 437165253 /nfs/dbraw/zinc/16/52/53/437165253.db2.gz BQVQFXLAZHPIJF-LLVKDONJSA-N 0 0 345.403 0.888 10 0 ECAERN CC(C)N1C(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C)C1=O ZINC000176242503 437137948 /nfs/dbraw/zinc/13/79/48/437137948.db2.gz VVTHOLJYNSCRNT-GJZGRUSLSA-N 0 0 331.416 0.811 10 0 ECAERN CO[C@@H]1C[C@@H](CO)N(CC(=O)Nc2ccc(Br)cn2)C1 ZINC000312806460 437172742 /nfs/dbraw/zinc/17/27/42/437172742.db2.gz KZMHDARFLJRAKR-WDEREUQCSA-N 0 0 344.209 0.864 10 0 ECAERN C[C@H]1CN(C(=O)Nc2cccc(C(N)=O)c2)C[C@H]1N1CCOCC1 ZINC000177230987 437176307 /nfs/dbraw/zinc/17/63/07/437176307.db2.gz ADAAPKOQZIDVQA-SWLSCSKDSA-N 0 0 332.404 0.970 10 0 ECAERN CN1CCN(S(=O)(=O)CC2CCOCC2)C[C@@H]1c1ncc[nH]1 ZINC000328616991 437239893 /nfs/dbraw/zinc/23/98/93/437239893.db2.gz CGFCCNNACMAWON-CYBMUJFWSA-N 0 0 328.438 0.455 10 0 ECAERN CN(C[C@@H]1C[C@H](F)CN1Cc1cncnc1)C(=O)Cc1cnn(C)c1 ZINC000328630803 437241011 /nfs/dbraw/zinc/24/10/11/437241011.db2.gz JUWIVKZICBCUCX-HOTGVXAUSA-N 0 0 346.410 0.824 10 0 ECAERN CCN1CCN(C(=O)Nc2nnc(C)s2)C[C@@H]1c1nccn1C ZINC000328625219 437241637 /nfs/dbraw/zinc/24/16/37/437241637.db2.gz KLUXFCVFTFJGLV-LLVKDONJSA-N 0 0 335.437 1.491 10 0 ECAERN Cn1cnnc1[C@@H]1CN([C@H]2CCN(c3ccccc3)C2=O)CCO1 ZINC000328629490 437241704 /nfs/dbraw/zinc/24/17/04/437241704.db2.gz IHLMBEBWKKHTRG-GJZGRUSLSA-N 0 0 327.388 0.994 10 0 ECAERN C[C@H](C1CC1)N(C(=O)CN1CCO[C@H](c2nncn2C)C1)C1CC1 ZINC000328629948 437242012 /nfs/dbraw/zinc/24/20/12/437242012.db2.gz IVMWOOCTHODAOL-DOMZBBRYSA-N 0 0 333.436 0.978 10 0 ECAERN CN1CCN(S(=O)(=O)CC[C@@H]2CCCO2)C[C@H]1c1ncc[nH]1 ZINC000328634567 437243637 /nfs/dbraw/zinc/24/36/37/437243637.db2.gz UEVCDJMASAARSF-STQMWFEESA-N 0 0 328.438 0.597 10 0 ECAERN CNC(=O)[C@H](NC(=O)CNC(=O)N1CCc2ccccc2C1)C(C)C ZINC000179128898 437253531 /nfs/dbraw/zinc/25/35/31/437253531.db2.gz JOZUCAXTCITBPI-MRXNPFEDSA-N 0 0 346.431 0.641 10 0 ECAERN CNC(=O)c1ccc(N2CCN(C[C@H](O)c3ccccc3)CC2)nn1 ZINC000266857825 437256855 /nfs/dbraw/zinc/25/68/55/437256855.db2.gz VHYHPSNRTLMFEA-INIZCTEOSA-N 0 0 341.415 0.692 10 0 ECAERN Cc1cc(S(=O)(=O)N2CCOC[C@@H]2C(N)=O)c(Cl)cc1F ZINC000179687592 437271826 /nfs/dbraw/zinc/27/18/26/437271826.db2.gz NEOFSQJTQGLHKT-SNVBAGLBSA-N 0 0 336.772 0.662 10 0 ECAERN CC[C@@H](C(=O)NC[C@@H](O)CN1CCOCC1)c1ccc(OC)cc1 ZINC000179757826 437274317 /nfs/dbraw/zinc/27/43/17/437274317.db2.gz HKEPRCOVCMLWGI-NVXWUHKLSA-N 0 0 336.432 0.998 10 0 ECAERN Cc1nnc([C@H]2CN(C(=O)C(=O)Nc3ccccc3F)CCO2)[nH]1 ZINC000180227296 437283554 /nfs/dbraw/zinc/28/35/54/437283554.db2.gz JURPRXPJZMFHKR-GFCCVEGCSA-N 0 0 333.323 0.791 10 0 ECAERN Cc1nc(-c2ccccc2)ncc1C(=O)N1CCOC[C@@H]1C(N)=O ZINC000180273138 437285789 /nfs/dbraw/zinc/28/57/89/437285789.db2.gz MLHBWPNWSDQCTQ-CQSZACIVSA-N 0 0 326.356 0.778 10 0 ECAERN Cc1cc(F)ccc1-n1ccc(C(=O)N2CCOC[C@@H]2C(N)=O)n1 ZINC000180778909 437300436 /nfs/dbraw/zinc/30/04/36/437300436.db2.gz JPISYNHOHIPGHU-CQSZACIVSA-N 0 0 332.335 0.646 10 0 ECAERN CN1CCN(C(=O)CCNC(=O)N2CCCC[C@H]2c2cn[nH]c2)CC1 ZINC000182327374 437345571 /nfs/dbraw/zinc/34/55/71/437345571.db2.gz KTVVYRJHMLISRH-HNNXBMFYSA-N 0 0 348.451 0.810 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)NCCN2CCOCC2(C)C)CC1 ZINC000181695313 437327868 /nfs/dbraw/zinc/32/78/68/437327868.db2.gz DFAHRRXTVSEUPF-OAHLLOKOSA-N 0 0 342.484 0.195 10 0 ECAERN COCCCCS(=O)(=O)N1CCO[C@H](Cn2nc(C)cc2C)C1 ZINC000184564184 437405630 /nfs/dbraw/zinc/40/56/30/437405630.db2.gz VWRAHVPXUNQTGX-HNNXBMFYSA-N 0 0 345.465 0.957 10 0 ECAERN COCC(=O)NC1CN(C(=O)Cc2nc(-c3ccco3)oc2C)C1 ZINC000185231399 437431596 /nfs/dbraw/zinc/43/15/96/437431596.db2.gz WWCRXPQUWKVXKC-UHFFFAOYSA-N 0 0 333.344 0.759 10 0 ECAERN COCC(=O)NC1CN(C[C@H](O)COc2ccccc2Cl)C1 ZINC000185090187 437424685 /nfs/dbraw/zinc/42/46/85/437424685.db2.gz VVSZKGYJLPSKQT-LBPRGKRZSA-N 0 0 328.796 0.527 10 0 ECAERN O=C(CN1C[C@H](O)C[C@@H]1CO)Nc1ccnn1Cc1cccs1 ZINC000185169684 437430326 /nfs/dbraw/zinc/43/03/26/437430326.db2.gz JLLBPVYAHOCKKZ-VXGBXAGGSA-N 0 0 336.417 0.359 10 0 ECAERN CCN(CC1CC1)S(=O)(=O)N[C@H]1CCCn2nc(COC)nc21 ZINC000183977168 437392969 /nfs/dbraw/zinc/39/29/69/437392969.db2.gz IKTMOSICDPMNGR-LBPRGKRZSA-N 0 0 343.453 0.826 10 0 ECAERN Cc1noc([C@@H]2COCCN2C(=O)c2ccc(-n3cnnn3)cc2)n1 ZINC000186600000 437477510 /nfs/dbraw/zinc/47/75/10/437477510.db2.gz HJDHIZKLMQYDSM-ZDUSSCGKSA-N 0 0 341.331 0.567 10 0 ECAERN COCC(=O)NC1CN(C(=O)c2ccc(-c3ncn(C)n3)cc2)C1 ZINC000185256542 437432155 /nfs/dbraw/zinc/43/21/55/437432155.db2.gz LHGWOEIZTAUWES-UHFFFAOYSA-N 0 0 329.360 0.069 10 0 ECAERN COCC(=O)NC1CN(C(=O)Cc2csc(C(C)(C)C)n2)C1 ZINC000185251890 437432197 /nfs/dbraw/zinc/43/21/97/437432197.db2.gz NNPKWWQPOCOMAX-UHFFFAOYSA-N 0 0 325.434 0.957 10 0 ECAERN COCC(=O)NC1CN(C(=O)c2cc(F)cc3nc(C)c(C)nc32)C1 ZINC000185258536 437432947 /nfs/dbraw/zinc/43/29/47/437432947.db2.gz DRXBXWMUZDVSQD-UHFFFAOYSA-N 0 0 346.362 0.973 10 0 ECAERN COCC(=O)NC1CN(C(=O)NC[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)C1 ZINC000185679833 437448182 /nfs/dbraw/zinc/44/81/82/437448182.db2.gz MNQDHHNGEIKXLK-UXLLHSPISA-N 0 0 329.400 0.729 10 0 ECAERN COCC(=O)NC1CN(C(=O)NCCc2nc(C)c(C)s2)C1 ZINC000185671760 437448336 /nfs/dbraw/zinc/44/83/36/437448336.db2.gz UPJGKHOOSIWMDQ-UHFFFAOYSA-N 0 0 326.422 0.459 10 0 ECAERN O=C(NC[C@H](O)CN1CCOCC1)Nc1cccc(-c2cc[nH]n2)c1 ZINC000185921511 437456152 /nfs/dbraw/zinc/45/61/52/437456152.db2.gz SGEGHKJBDLOMKJ-HNNXBMFYSA-N 0 0 345.403 0.891 10 0 ECAERN C[C@H](NC(=O)N1CC(NC(=O)C2CC2)C1)C(=O)N1CCCC[C@H]1C ZINC000187165075 437494184 /nfs/dbraw/zinc/49/41/84/437494184.db2.gz KMITUTXOCAGFER-NEPJUHHUSA-N 0 0 336.436 0.696 10 0 ECAERN CNC(=O)CC(=O)NC[C@@H](c1cccs1)N1CCO[C@@H](C)C1 ZINC000187668491 437509616 /nfs/dbraw/zinc/50/96/16/437509616.db2.gz AQFSIYHZBCRSTK-RYUDHWBXSA-N 0 0 325.434 0.762 10 0 ECAERN C[C@@H](NC(=O)c1ccco1)C(=O)N1CCC(Cn2cncn2)CC1 ZINC000188225773 437536498 /nfs/dbraw/zinc/53/64/98/437536498.db2.gz UELUSRCBUIWIHO-GFCCVEGCSA-N 0 0 331.376 0.928 10 0 ECAERN CC(=O)NC1CN(S(=O)(=O)c2ccc(OCC(F)F)cc2)C1 ZINC000188549931 437556472 /nfs/dbraw/zinc/55/64/72/437556472.db2.gz KKXNPZVNIMUBRH-UHFFFAOYSA-N 0 0 334.344 0.840 10 0 ECAERN CCOc1ccnc(N2CCN(C(=O)c3snnc3C)CC2)n1 ZINC000190514368 437627964 /nfs/dbraw/zinc/62/79/64/437627964.db2.gz CEPAOHOXPLKIMD-UHFFFAOYSA-N 0 0 334.405 0.998 10 0 ECAERN C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)CN2CSCC2=O)C1 ZINC000190575324 437630536 /nfs/dbraw/zinc/63/05/36/437630536.db2.gz QERNISCJTWRUKR-HNNXBMFYSA-N 0 0 348.472 0.895 10 0 ECAERN CCn1cc([C@H]2CN(CCN3C(=O)NC(C)(C)C3=O)CCO2)cn1 ZINC000190801759 437639873 /nfs/dbraw/zinc/63/98/73/437639873.db2.gz XMTIEPZRSSMMKA-CYBMUJFWSA-N 0 0 335.408 0.607 10 0 ECAERN O=C1c2ccccc2C(=O)N1C[C@@H](O)CN1CCSC[C@H]1CO ZINC000343754537 437646704 /nfs/dbraw/zinc/64/67/04/437646704.db2.gz VVTSEQSJGZHKOT-NEPJUHHUSA-N 0 0 336.413 0.053 10 0 ECAERN CCOCCN1CCN(C(=O)C(=O)Nc2ccc(F)cn2)C[C@H]1C ZINC000193276829 437706985 /nfs/dbraw/zinc/70/69/85/437706985.db2.gz FZOAUQNZVMJJCL-GFCCVEGCSA-N 0 0 338.383 0.728 10 0 ECAERN CO[C@H]1C[C@H](C(=O)NC[C@@]2(C)CCCC[C@H]2O)N(S(C)(=O)=O)C1 ZINC000365135819 437863196 /nfs/dbraw/zinc/86/31/96/437863196.db2.gz TURPYIUBMMFFPO-KYEXWDHISA-N 0 0 348.465 0.093 10 0 ECAERN CCC[C@H]1CN(C(=O)[C@H]2C[C@H](OC)CN2S(C)(=O)=O)CCO1 ZINC000366050468 438009574 /nfs/dbraw/zinc/00/95/74/438009574.db2.gz CXXKTMJKLAZBAJ-RWMBFGLXSA-N 0 0 334.438 0.063 10 0 ECAERN CCNC(=O)N1CCN(S(=O)(=O)[C@H]2CCC[C@@H]2C(=O)OC)CC1 ZINC000391194526 438439064 /nfs/dbraw/zinc/43/90/64/438439064.db2.gz OBGJXNZFCPBWEW-RYUDHWBXSA-N 0 0 347.437 0.005 10 0 ECAERN Cn1nccc1S(=O)(=O)N[C@@H]1CC(=O)N(C)[C@H]1c1cccnc1 ZINC000583616660 439485628 /nfs/dbraw/zinc/48/56/28/439485628.db2.gz XHYCJVROEPAFRD-RISCZKNCSA-N 0 0 335.389 0.065 10 0 ECAERN CN(Cc1ccc(F)cc1)C(=O)CN1CCC[C@](O)(c2cn[nH]n2)C1 ZINC000583617918 439487717 /nfs/dbraw/zinc/48/77/17/439487717.db2.gz JWSHOTRLSHEBRA-QGZVFWFLSA-N 0 0 347.394 0.886 10 0 ECAERN CC(C)(C)OC(=O)c1cc(S(N)(=O)=O)n(C2CCOCC2)n1 ZINC000536953046 439540245 /nfs/dbraw/zinc/54/02/45/439540245.db2.gz HGKWRRMIFYBTKU-UHFFFAOYSA-N 0 0 331.394 0.837 10 0 ECAERN CC(=O)CO[C@H]1NC(C)=C(I)C=C1C(N)=O ZINC000584632101 439605446 /nfs/dbraw/zinc/60/54/46/439605446.db2.gz CIQIJUHUZVJHAF-SNVBAGLBSA-N 0 0 336.129 0.600 10 0 ECAERN CCN1CCO[C@@H](CNC(=O)c2ncoc2C)[C@@H]1c1cnn(C)c1 ZINC000618144178 440059983 /nfs/dbraw/zinc/05/99/83/440059983.db2.gz RFSDVOVNXFLXLB-ZFWWWQNUSA-N 0 0 333.392 0.908 10 0 ECAERN CC(=O)N[C@H](C(=O)N1CC(OCc2nnc(C)o2)C1)C1CCCC1 ZINC000644223295 440478266 /nfs/dbraw/zinc/47/82/66/440478266.db2.gz ZKUQXLQQLSLFFJ-HNNXBMFYSA-N 0 0 336.392 0.800 10 0 ECAERN Cn1cc(O[C@@H]2CN(C(=O)CCn3cc(Cl)cn3)C[C@H]2O)cn1 ZINC000628258776 440446470 /nfs/dbraw/zinc/44/64/70/440446470.db2.gz SDSILLRRMCBDTM-CHWSQXEVSA-N 0 0 339.783 0.311 10 0 ECAERN COCc1ccccc1CNC(=O)C[C@H]1CS(=O)(=O)CCN1C ZINC000644292779 440508172 /nfs/dbraw/zinc/50/81/72/440508172.db2.gz XQSNLIRBIDAPTD-HNNXBMFYSA-N 0 0 340.445 0.568 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)NCCC(=O)N[C@@H](C)CC)CC1 ZINC000184914818 320535408 /nfs/dbraw/zinc/53/54/08/320535408.db2.gz VHBIBURXOHBEIU-UONOGXRCSA-N 0 0 328.457 0.389 10 0 ECAERN CS(=O)(=O)[N-]c1ccc(Cl)cc1C(=O)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262417713 320548581 /nfs/dbraw/zinc/54/85/81/320548581.db2.gz ZURIYCTXUUHHBT-QPUJVOFHSA-N 0 0 347.824 0.022 10 0 ECAERN Cn1nncc1S(=O)(=O)N1CC[C@@H](c2ccccc2)[C@@H](CO)C1 ZINC000329082427 320752086 /nfs/dbraw/zinc/75/20/86/320752086.db2.gz SFZLADKWAAPOPZ-KGLIPLIRSA-N 0 0 336.417 0.602 10 0 ECAERN O=C(C[C@@H]1CCCCNC1=O)N1CCC[C@](O)(Cn2ccnn2)C1 ZINC000329197346 320759317 /nfs/dbraw/zinc/75/93/17/320759317.db2.gz UEZRTSXIQDWEJP-XJKSGUPXSA-N 0 0 335.408 0.778 10 0 ECAERN Cc1nn(C)cc1S(=O)(=O)N1CC[C@@H](N2CCOCC2)[C@H]1C ZINC000329442568 320772418 /nfs/dbraw/zinc/77/24/18/320772418.db2.gz NHPFVIYLMFIWMK-CHWSQXEVSA-N 0 0 328.438 0.212 10 0 ECAERN CN1CCN(C(=O)Cc2noc(-c3cc4n(n3)CCCO4)n2)CC1 ZINC000329625036 320782000 /nfs/dbraw/zinc/78/20/00/320782000.db2.gz VEAAAVDEMAHIDG-UHFFFAOYSA-N 0 0 332.364 0.032 10 0 ECAERN Cc1nc(C(=O)N(C)C[C@@H]2C[C@H](F)CN2Cc2ncccn2)no1 ZINC000329703397 320785968 /nfs/dbraw/zinc/78/59/68/320785968.db2.gz IHVQKIHZSIGTBH-RYUDHWBXSA-N 0 0 334.355 0.853 10 0 ECAERN Cn1nccc1[C@H]1OCC[C@@H]1NS(=O)(=O)c1c(Cl)cnn1C ZINC000343222828 321129097 /nfs/dbraw/zinc/12/90/97/321129097.db2.gz XECLBCUNYKQLAO-ONGXEEELSA-N 0 0 345.812 0.616 10 0 ECAERN C[C@@H](CNC(=O)c1cn(CC(=O)C(C)(C)C)nn1)N1CCOCC1 ZINC000174590006 534049247 /nfs/dbraw/zinc/04/92/47/534049247.db2.gz MJLCDXURAZMYSJ-LBPRGKRZSA-N 0 0 337.424 0.344 10 0 ECAERN COC(=O)[C@@H]1CCCCN1C(=O)CN1CCN(c2ccccn2)CC1 ZINC000174745924 534282832 /nfs/dbraw/zinc/28/28/32/534282832.db2.gz LXFQOEPUJREPFL-HNNXBMFYSA-N 0 0 346.431 0.758 10 0 ECAERN NC(=O)[C@H]1COCCN1C[C@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000179723928 534464906 /nfs/dbraw/zinc/46/49/06/534464906.db2.gz GWJLPOFVTBXFPJ-CHWSQXEVSA-N 0 0 332.322 0.795 10 0 ECAERN O=C(CNC(=O)N1C[C@@H](c2ccsc2)[C@H](CO)C1)NCC1CC1 ZINC000187778180 534566841 /nfs/dbraw/zinc/56/68/41/534566841.db2.gz VNIXEJXURIBWDA-KBPBESRZSA-N 0 0 337.445 0.992 10 0 ECAERN Cc1nc2nc(N)nn2c(C)c1CCC(=O)NC[C@@H]1CCCC[C@H]1O ZINC000155461403 534708135 /nfs/dbraw/zinc/70/81/35/534708135.db2.gz RXBBUHRWODDVSC-GXTWGEPZSA-N 0 0 346.435 0.923 10 0 ECAERN CC(=O)CCc1ccc(OC[C@@H](O)CN2CC(NC(C)=O)C2)cc1 ZINC000191731953 526428875 /nfs/dbraw/zinc/42/88/75/526428875.db2.gz WSAHCQNBVKEJDP-KRWDZBQOSA-N 0 0 334.416 0.768 10 0 ECAERN CC(=O)NC1CN(C(=O)NCc2ccc(Cn3cccn3)cc2)C1 ZINC000189828636 526707643 /nfs/dbraw/zinc/70/76/43/526707643.db2.gz RIOZOJYNNUXJBA-UHFFFAOYSA-N 0 0 327.388 0.961 10 0 ECAERN CC(=O)NC1CN(C(=O)c2cc(S(C)(=O)=O)ccc2Cl)C1 ZINC000191505811 526712203 /nfs/dbraw/zinc/71/22/03/526712203.db2.gz NRHLUDBWJHNUHV-UHFFFAOYSA-N 0 0 330.793 0.704 10 0 ECAERN CC(=O)NC1CN(C(=O)[C@H]2CCCN(C(=O)c3ccccc3)C2)C1 ZINC000190461415 526712867 /nfs/dbraw/zinc/71/28/67/526712867.db2.gz NQODHNLWZIJEAU-HNNXBMFYSA-N 0 0 329.400 0.886 10 0 ECAERN CC(C)(C)c1ccc(S(=O)(=O)N2CCOC[C@@H]2C(N)=O)cc1 ZINC000183365271 526786160 /nfs/dbraw/zinc/78/61/60/526786160.db2.gz SYJJULXFIFCPSV-CYBMUJFWSA-N 0 0 326.418 0.859 10 0 ECAERN CCCCn1nccc1NC(=O)C(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188022597 527711371 /nfs/dbraw/zinc/71/13/71/527711371.db2.gz IMTFVUNQHALKAS-UHFFFAOYSA-N 0 0 347.419 0.749 10 0 ECAERN CCOc1cc(C)nc(N2CCN([C@@H](C)c3nnnn3C)CC2)n1 ZINC000189197456 528254742 /nfs/dbraw/zinc/25/47/42/528254742.db2.gz JZODGWOHGCCYRB-LBPRGKRZSA-N 0 0 332.412 0.590 10 0 ECAERN CCC(=O)N1CC[C@@H](NC(=O)N2CCO[C@@H](c3cnn(CC)c3)C2)C1 ZINC000189591947 528347830 /nfs/dbraw/zinc/34/78/30/528347830.db2.gz DDQAGURYJGOHLC-HUUCEWRRSA-N 0 0 349.435 0.997 10 0 ECAERN CCOC(=O)C[C@H](NC(=O)Cn1ncn(C)c1=O)c1ccccc1C ZINC000182270255 528899561 /nfs/dbraw/zinc/89/95/61/528899561.db2.gz HDPXQVXLTKXNEN-AWEZNQCLSA-N 0 0 346.387 0.701 10 0 ECAERN CCCC[C@H](NC(N)=O)C(=O)N[C@@H]1CCCN(c2cccnn2)C1 ZINC000135285039 528989491 /nfs/dbraw/zinc/98/94/91/528989491.db2.gz IVNVZBBZVHCHLR-OLZOCXBDSA-N 0 0 334.424 0.789 10 0 ECAERN CN1C[C@@H](CNS(=O)(=O)c2ccc3c(c2)OCCO3)CC1=O ZINC000074863313 545686863 /nfs/dbraw/zinc/68/68/63/545686863.db2.gz SISJZXYNYCTZLW-SNVBAGLBSA-N 0 0 326.374 0.214 10 0 ECAERN CCCn1cc(CN2CCCN(C(=O)[C@H]3CCC(=O)N3)CC2)cn1 ZINC000105831311 545739962 /nfs/dbraw/zinc/73/99/62/545739962.db2.gz ZOWKVUURQLWHFE-OAHLLOKOSA-N 0 0 333.436 0.606 10 0 ECAERN Cc1cnn(Cc2cc(C(=O)NC[C@@H](C)N3CCOCC3)no2)c1 ZINC000119040177 545745315 /nfs/dbraw/zinc/74/53/15/545745315.db2.gz SGXKQPLBVBOCPG-CYBMUJFWSA-N 0 0 333.392 0.678 10 0 ECAERN C[C@H](OC1CCCCCC1)C(=O)NC[C@@H](O)CN1CCOCC1 ZINC000132361350 545790516 /nfs/dbraw/zinc/79/05/16/545790516.db2.gz LWIOXGVPLIDYMZ-LSDHHAIUSA-N 0 0 328.453 0.924 10 0 ECAERN CNC(=O)c1cccc(CCNC(=O)N2CCC[C@H]2C(=O)NC)c1 ZINC000158916390 545846466 /nfs/dbraw/zinc/84/64/66/545846466.db2.gz LWZKKOBDCNJMTI-AWEZNQCLSA-N 0 0 332.404 0.509 10 0 ECAERN C[C@H](CNC(=O)C(=O)Nc1cnn(CC2CC2)c1)N1CCOCC1 ZINC000177819568 545875852 /nfs/dbraw/zinc/87/58/52/545875852.db2.gz NDFYXWMLOXKISN-GFCCVEGCSA-N 0 0 335.408 0.069 10 0 ECAERN Cc1nnc([C@@H]2CN(C(=O)[C@@H]3[NH2+]CCc4ccccc43)CCO2)[nH]1 ZINC000178847336 545879510 /nfs/dbraw/zinc/87/95/10/545879510.db2.gz IUDNOAJJIKVLNU-LSDHHAIUSA-N 0 0 327.388 0.900 10 0 ECAERN CNC(=O)[C@H](NCc1nnc2n1c1ccccc1c(=O)n2C)C(C)C ZINC000183670121 545892874 /nfs/dbraw/zinc/89/28/74/545892874.db2.gz SXYIMFWNNZBXMC-CQSZACIVSA-N 0 0 342.403 0.441 10 0 ECAERN Cc1c(C(=O)N2CC(NC(=O)C3CC3)C2)cnn1-c1ccccn1 ZINC000189431150 545905801 /nfs/dbraw/zinc/90/58/01/545905801.db2.gz KZBKODFTJLXMHA-UHFFFAOYSA-N 0 0 325.372 0.926 10 0 ECAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CC[C@H](Oc2cccc(F)c2)C1 ZINC000193801901 545912255 /nfs/dbraw/zinc/91/22/55/545912255.db2.gz CTXMUVYMGUMASH-VNQPRFMTSA-N 0 0 336.363 0.787 10 0 ECAERN O=C(CNC(=O)c1ccc(Br)o1)NC1CC(CO)C1 ZINC000620888952 546461685 /nfs/dbraw/zinc/46/16/85/546461685.db2.gz AFVHQQCLWDLPPG-UHFFFAOYSA-N 0 0 331.166 0.659 10 0 ECAERN Cn1cc(O[C@@H]2CN(c3cc(N4CCCCC4)ncn3)C[C@H]2O)cn1 ZINC000624422633 546923467 /nfs/dbraw/zinc/92/34/67/546923467.db2.gz ARFQETNSWUZRAB-HUUCEWRRSA-N 0 0 344.419 0.829 10 0 ECAERN O=S(=O)(N[C@H]1CCOC[C@H]1O)c1ccc(Br)cc1 ZINC000625592420 547160935 /nfs/dbraw/zinc/16/09/35/547160935.db2.gz UISBVPSWFFNTEA-WDEREUQCSA-N 0 0 336.207 0.877 10 0 ECAERN C[C@@H](C(=O)N1CCOC[C@]12CCOC2)N1C(=O)c2ccccc2C1=O ZINC000669459359 547892652 /nfs/dbraw/zinc/89/26/52/547892652.db2.gz HOWUVLTXXCHQAX-KPZWWZAWSA-N 0 0 344.367 0.689 10 0 ECAERN Cc1ccccc1CNC(=O)CN1CC[C@@](O)(Cn2ccnn2)C1 ZINC000671554512 548184022 /nfs/dbraw/zinc/18/40/22/548184022.db2.gz CWPVBJYKLIVHMT-KRWDZBQOSA-N 0 0 329.404 0.340 10 0 ECAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)c3cccn4nnnc34)C2)n1 ZINC000896417043 586239897 /nfs/dbraw/zinc/23/98/97/586239897.db2.gz YZFCLQLTFCCEQB-ZDUSSCGKSA-N 0 0 340.391 0.885 10 0 ECAERN Cn1ccc(CNC(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2nccn2C)c1 ZINC000888076064 586245450 /nfs/dbraw/zinc/24/54/50/586245450.db2.gz TWZRJCBFPPUIND-ZFWWWQNUSA-N 0 0 329.404 0.985 10 0 ECAERN CO[C@@H]1CCCCN(CC(=O)Nc2nc3cccnc3n2C)C1=O ZINC000888076611 586246065 /nfs/dbraw/zinc/24/60/65/586246065.db2.gz YTYKPSYYCXCKQB-GFCCVEGCSA-N 0 0 331.376 0.934 10 0 ECAERN Cn1cnnc1C[C@@]1(O)CCCN(Cc2nnc(C(C)(C)C)[nH]2)C1 ZINC000888077457 586246078 /nfs/dbraw/zinc/24/60/78/586246078.db2.gz CFEKXLCCCJNQDO-INIZCTEOSA-N 0 0 333.440 0.800 10 0 ECAERN O=C(c1cn([C@@H]2COC[C@H]2O)nn1)N1CCOCC12CCCCC2 ZINC000888093515 586348567 /nfs/dbraw/zinc/34/85/67/586348567.db2.gz BGAAWWHAFCRSSR-ZIAGYGMSSA-N 0 0 336.392 0.386 10 0 ECAERN CNC(=O)[C@H]1CC(=O)N(C2CN(C(=O)c3cccc(C(C)C)n3)C2)C1 ZINC000888098249 586349964 /nfs/dbraw/zinc/34/99/64/586349964.db2.gz IYAMOOXPANWMQY-LBPRGKRZSA-N 0 0 344.415 0.624 10 0 ECAERN Cc1conc1C(=O)N[C@@H]1CCCC[C@@H]1Cc1nn(C)c(=O)n1C ZINC000888099215 586350332 /nfs/dbraw/zinc/35/03/32/586350332.db2.gz UTKNQZWWDKNPJE-VXGBXAGGSA-N 0 0 333.392 0.947 10 0 ECAERN COCC(=O)NC1CN(C(=O)c2ccc3c(c2)N[C@H](C)CC(=O)N3)C1 ZINC000907504477 586725681 /nfs/dbraw/zinc/72/56/81/586725681.db2.gz DIAVFQBKQXZBHX-SNVBAGLBSA-N 0 0 346.387 0.416 10 0 ECAERN CC(C)(C)OC(=O)[C@@]1(C(=O)N2CC(NC(=O)C3CC3)C2)CCCO1 ZINC000907523779 586728000 /nfs/dbraw/zinc/72/80/00/586728000.db2.gz YNYJKNQYJUAACL-KRWDZBQOSA-N 0 0 338.404 0.614 10 0 ECAERN CCCS(=O)(=O)CCN1CCN(Cc2c(C)nn(C)c2C)CC1 ZINC000105865962 589143285 /nfs/dbraw/zinc/14/32/85/589143285.db2.gz SITHSMGIGDYKKM-UHFFFAOYSA-N 0 0 342.509 0.979 10 0 ECAERN COCCN1CCN(S(=O)(=O)c2ncn(C)c2Cl)C[C@H]1C ZINC000117370243 589760462 /nfs/dbraw/zinc/76/04/62/589760462.db2.gz QINDSLBBKUIXEF-SNVBAGLBSA-N 0 0 336.845 0.415 10 0 ECAERN Cn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2cc(=O)[nH]c(C3CC3)c2)cn1 ZINC000862923631 589974456 /nfs/dbraw/zinc/97/44/56/589974456.db2.gz ZLMXFWLKNRCOHS-LSDHHAIUSA-N 0 0 344.371 0.974 10 0 ECAERN COc1ncncc1CN1CC(N2C[C@H](c3nc(C)no3)CC2=O)C1 ZINC000864313713 590068755 /nfs/dbraw/zinc/06/87/55/590068755.db2.gz WBLZCDZJJBCSQJ-LLVKDONJSA-N 0 0 344.375 0.377 10 0 ECAERN Cc1csc([C@H]2CN(Cn3nnc4c(cnn4C)c3=O)CCO2)n1 ZINC000132520641 590648917 /nfs/dbraw/zinc/64/89/17/590648917.db2.gz KSCFLDFLQJBCAQ-LLVKDONJSA-N 0 0 347.404 0.321 10 0 ECAERN CCN1CCO[C@@H](CNC(=O)Cc2cc[nH]n2)[C@@H]1c1nccn1C ZINC000886027459 590787153 /nfs/dbraw/zinc/78/71/53/590787153.db2.gz YRJWSIURVQVSOC-DZGCQCFKSA-N 0 0 332.408 0.264 10 0 ECAERN CC1=C(C(=O)NC[C@@H]2OCCN(C)[C@H]2c2ccnn2C)CCCO1 ZINC000886055423 590789032 /nfs/dbraw/zinc/78/90/32/590789032.db2.gz KAJVFPRDCKNDPH-HOTGVXAUSA-N 0 0 334.420 0.992 10 0 ECAERN CO[C@@H]1CN(C(=O)c2ccnc(N(C)C)c2)C[C@H]1c1cn(C)nn1 ZINC000886075498 590790725 /nfs/dbraw/zinc/79/07/25/590790725.db2.gz MXYYEZNLCMZFQM-GXTWGEPZSA-N 0 0 330.392 0.531 10 0 ECAERN CN(C)c1ncc(CN2CCC[C@@](O)(Cc3nncn3C)C2)cn1 ZINC000886088641 590793638 /nfs/dbraw/zinc/79/36/38/590793638.db2.gz MCPWCOQMYHDGMN-MRXNPFEDSA-N 0 0 331.424 0.241 10 0 ECAERN Cn1cnnc1C[C@]1(O)CCCN(Cc2cn(C(C)(C)C)nn2)C1 ZINC000886088768 590793888 /nfs/dbraw/zinc/79/38/88/590793888.db2.gz MKAYEJQEXMMNLU-MRXNPFEDSA-N 0 0 333.440 0.731 10 0 ECAERN Cn1cnnc1C[C@@]1(O)CCCN(C(=O)c2cnn3ccccc23)C1 ZINC000886095391 590794993 /nfs/dbraw/zinc/79/49/93/590794993.db2.gz UUJXJNOHPNWFHG-KRWDZBQOSA-N 0 0 340.387 0.673 10 0 ECAERN CC[C@]1(C(C)C)NC(=O)N(CN2CCO[C@@H](Cn3cccn3)C2)C1=O ZINC000247121611 608630188 /nfs/dbraw/zinc/63/01/88/608630188.db2.gz PSPFHIPTXGQAGQ-RHSMWYFYSA-N 0 0 349.435 0.898 10 0 ECAERN CC(=O)N[C@@H]1CCCN(Cn2cc(C)n(-c3cc(C)on3)c2=O)C1 ZINC000067366631 608752941 /nfs/dbraw/zinc/75/29/41/608752941.db2.gz MPXOZBLVKYKUQQ-CQSZACIVSA-N 0 0 333.392 0.802 10 0 ECAERN COCCCn1cnc2oc(C)c(C(=O)N3CCN(C)CC3)c2c1=O ZINC000222780323 609116881 /nfs/dbraw/zinc/11/68/81/609116881.db2.gz SHOFBTGIOAWRDQ-UHFFFAOYSA-N 0 0 348.403 0.722 10 0 ECAERN Cc1nc2ccnn2c(C)c1C(=O)N[C@@H]1C[C@H](O)[C@@H]1n1cccn1 ZINC000909174527 609680440 /nfs/dbraw/zinc/68/04/40/609680440.db2.gz HWIJRWLWWUFCJZ-TYNCELHUSA-N 0 0 326.360 0.647 10 0 ECAERN O=C(N[C@@H]1C[C@@H](O)[C@@H]1n1cccn1)[C@H]1CCO[C@@H]1c1cccnc1 ZINC000909181104 609681464 /nfs/dbraw/zinc/68/14/64/609681464.db2.gz NBDNPQKMRDUQQY-UYJHQMFVSA-N 0 0 328.372 0.846 10 0 ECAERN CN(C)c1nc2ccccc2n(CCC(=O)N2CCOCC2)c1=O ZINC000222865220 609705552 /nfs/dbraw/zinc/70/55/52/609705552.db2.gz QGOJZZLOUQCKGU-UHFFFAOYSA-N 0 0 330.388 0.711 10 0 ECAERN Cc1nc(CC(=O)N2CCN(c3ccccn3)CC2)c(C)c(=O)[nH]1 ZINC000222932918 609706236 /nfs/dbraw/zinc/70/62/36/609706236.db2.gz GOGHWTJPSFUULQ-UHFFFAOYSA-N 0 0 327.388 0.673 10 0 ECAERN CN1C(=O)CO[C@H](C(=O)NCC2(CO)CC2)[C@@H]1c1ccc(F)cc1 ZINC000223225474 609708846 /nfs/dbraw/zinc/70/88/46/609708846.db2.gz MMOSKYIRGVCRSM-GJZGRUSLSA-N 0 0 336.363 0.613 10 0 ECAERN CN(CCO)S(=O)(=O)c1ccc2c(c1)C(C)(C)CC(=O)N2C ZINC000223693059 609713400 /nfs/dbraw/zinc/71/34/00/609713400.db2.gz GHEUPLOTINNPMC-UHFFFAOYSA-N 0 0 326.418 0.944 10 0 ECAERN CC(C)C[C@@H]1Nc2ncnc(N[C@H]3CCS(=O)(=O)C3)c2NC1=O ZINC000224011830 609716576 /nfs/dbraw/zinc/71/65/76/609716576.db2.gz YCNLNMCTZARTPP-UWVGGRQHSA-N 0 0 339.421 0.854 10 0 ECAERN Cc1nc(N[C@@H]2CCS(=O)(=O)C2)c2c(n1)N[C@@H](C(C)C)C(=O)N2 ZINC000224029349 609716978 /nfs/dbraw/zinc/71/69/78/609716978.db2.gz HLWBPTRZFYKVKP-ZJUUUORDSA-N 0 0 339.421 0.773 10 0 ECAERN Cc1cc(C)n(CCC(=O)N2CC[C@H](CC(=O)N3CCOCC3)C2)n1 ZINC000169776382 609745784 /nfs/dbraw/zinc/74/57/84/609745784.db2.gz MTKQXRIWOKFBOT-MRXNPFEDSA-N 0 0 348.447 0.987 10 0 ECAERN CCNC(=O)N1CCC[C@@H]1c1noc(CCC(=O)NCCOC)n1 ZINC000169784704 609746264 /nfs/dbraw/zinc/74/62/64/609746264.db2.gz WOBXUPDRKGPYRJ-LLVKDONJSA-N 0 0 339.396 0.631 10 0 ECAERN C[C@@H]1C[C@@H]1NC(=O)Cn1cnc2c(c(Br)nn2C)c1=O ZINC000171046101 609756656 /nfs/dbraw/zinc/75/66/56/609756656.db2.gz NWHXTISRFVTBNO-RQJHMYQMSA-N 0 0 340.181 0.417 10 0 ECAERN COC[C@@]1(C(N)=O)CCCN1C(=O)C1C[C@H]2CSC[C@@H](C1)C2=O ZINC000911352891 609854193 /nfs/dbraw/zinc/85/41/93/609854193.db2.gz LRPVMXSULHFKQI-DFHPZWACSA-N 0 0 340.445 0.438 10 0 ECAERN CO[C@@H]1CN(C(=O)/C=C(\C)CN2CCOCC2)C[C@H]1c1cn[nH]n1 ZINC000911354626 609854560 /nfs/dbraw/zinc/85/45/60/609854560.db2.gz NEQKGTWXMWEXCJ-ONPZWEIJSA-N 0 0 335.408 0.024 10 0 ECAERN CCCC[C@H]1NC(=O)N(CN2CCO[C@H](Cn3cccn3)C2)C1=O ZINC000152797415 609880575 /nfs/dbraw/zinc/88/05/75/609880575.db2.gz CGRFHARLHJTDIZ-UONOGXRCSA-N 0 0 335.408 0.652 10 0 ECAERN O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)N1CCOC[C@@H]1CO ZINC000912427782 609958204 /nfs/dbraw/zinc/95/82/04/609958204.db2.gz QBLLRUHZRMBRMQ-JTQLQIEISA-N 0 0 347.198 0.943 10 0 ECAERN CCCn1cc(NC(=O)C(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)cn1 ZINC000180249246 610004289 /nfs/dbraw/zinc/00/42/89/610004289.db2.gz PDNBBNQJESMUTO-ZFWWWQNUSA-N 0 0 349.435 0.411 10 0 ECAERN CCCC[C@@H]1NC(=O)N(CN2CCO[C@@H](Cn3cc(C)cn3)C2)C1=O ZINC000246673152 612403245 /nfs/dbraw/zinc/40/32/45/612403245.db2.gz UPFHABUWOUQXOX-CABCVRRESA-N 0 0 349.435 0.960 10 0 ECAERN CC[C@]1(c2cnn(C)c2)NC(=O)N(CN2CCS[C@@H](C)C2)C1=O ZINC000245675539 612710661 /nfs/dbraw/zinc/71/06/61/612710661.db2.gz FULKNAJLMHZZQH-XHDPSFHLSA-N 0 0 337.449 0.972 10 0 ECAERN Cc1cnn(C[C@@H]2CN(CN3C(=O)N[C@H](CC(C)C)C3=O)CCO2)c1 ZINC000246538201 612827689 /nfs/dbraw/zinc/82/76/89/612827689.db2.gz BHSXIUUTYQOCLV-LSDHHAIUSA-N 0 0 349.435 0.816 10 0 ECAERN NC(=O)CN1CCN(C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)CC1 ZINC000091729694 612911884 /nfs/dbraw/zinc/91/18/84/612911884.db2.gz PVVFGWXRECEGDD-AWEZNQCLSA-N 0 0 336.823 0.936 10 0 ECAERN CNC(=O)[C@@H](NC(=O)CN1CCC[C@@H]1C(=O)N(C)C)c1ccccc1 ZINC000052312165 214125533 /nfs/dbraw/zinc/12/55/33/214125533.db2.gz STAXKXVMWFWEQU-ZBFHGGJFSA-N 0 0 346.431 0.143 10 0 ECAERN Cn1nc2c(cc1=O)CN(C(=O)N[C@@H]1COc3ccccc31)CC2 ZINC000174440729 231208035 /nfs/dbraw/zinc/20/80/35/231208035.db2.gz BSTSTBKTVBSSQZ-CQSZACIVSA-N 0 0 326.356 0.982 10 0 ECAERN Cc1nn(C)c(C)c1CN1CCN(C(=O)[C@@H]2CSC(=O)N2)CC1 ZINC000174875963 231331286 /nfs/dbraw/zinc/33/12/86/231331286.db2.gz NAWGLMAFIZXBCK-ZDUSSCGKSA-N 0 0 337.449 0.506 10 0 ECAERN CCc1ccc(C(=O)NC[C@H]2CN(C)CCO2)cc1S(C)(=O)=O ZINC000130848416 529605086 /nfs/dbraw/zinc/60/50/86/529605086.db2.gz WGQFYHCVILPGRW-AWEZNQCLSA-N 0 0 340.445 0.713 10 0 ECAERN CCc1cnc(NC(=O)C(=O)N2CC(NC(=O)C3CCC3)C2)s1 ZINC000190853352 529656367 /nfs/dbraw/zinc/65/63/67/529656367.db2.gz LXCXJWDALPKMSU-UHFFFAOYSA-N 0 0 336.417 0.771 10 0 ECAERN Cc1nccn1C[C@@H]1CCCN1C(=O)NCCN1C(=O)CCC1=O ZINC000176215309 231598480 /nfs/dbraw/zinc/59/84/80/231598480.db2.gz IPAGFJDOJBTQER-ZDUSSCGKSA-N 0 0 333.392 0.515 10 0 ECAERN CC(C)(C)OC(=O)[C@](C[NH3+])(NS(=O)(=O)c1ccccc1)C(=O)[O-] ZINC000098087623 219082477 /nfs/dbraw/zinc/08/24/77/219082477.db2.gz UOABAEFFRCOQPN-CQSZACIVSA-N 0 0 344.389 0.089 10 0 ECAERN CCn1nc(/C=C/c2ccccc2)[n+]([O-])c2c(=O)n(C)c(=O)nc1-2 ZINC000004545359 210219606 /nfs/dbraw/zinc/21/96/06/210219606.db2.gz DNAZAGOXIMFCFO-MDZDMXLPSA-N 0 0 325.328 0.266 10 0 ECAERN CN(C)c1cc(C(=O)N2CCOC[C@@H]2C(N)=O)c2ccccc2n1 ZINC000183691907 529771409 /nfs/dbraw/zinc/77/14/09/529771409.db2.gz MQVDNKJDKKSQIH-CQSZACIVSA-N 0 0 328.372 0.627 10 0 ECAERN CN1CCO[C@@H](CNC(=O)c2ccc(=O)n(-c3ccccc3F)n2)C1 ZINC000130846671 529784372 /nfs/dbraw/zinc/78/43/72/529784372.db2.gz IOQGSIQONYKYEU-LBPRGKRZSA-N 0 0 346.362 0.432 10 0 ECAERN CCS(=O)(=O)N[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000004499678 210204655 /nfs/dbraw/zinc/20/46/55/210204655.db2.gz QQQPDDKCHCXGLH-SNVBAGLBSA-N 0 0 326.374 0.502 10 0 ECAERN CN1CC[C@@H](NC(=O)N2CCN(C[C@@H](O)c3ccccc3)CC2)C1=O ZINC000163865520 529795067 /nfs/dbraw/zinc/79/50/67/529795067.db2.gz SWIAYJRDSPNFRQ-HZPDHXFCSA-N 0 0 346.431 0.278 10 0 ECAERN CNC(=O)[C@@H]1CN(C[C@H](O)COCc2ccc(Cl)cc2)CCO1 ZINC000184036734 529909870 /nfs/dbraw/zinc/90/98/70/529909870.db2.gz CNZXNTIMUYXYLW-GJZGRUSLSA-N 0 0 342.823 0.664 10 0 ECAERN CNC(=O)c1cccc(C(=O)N2CCO[C@H](Cn3cccn3)C2)c1 ZINC000173674723 529944789 /nfs/dbraw/zinc/94/47/89/529944789.db2.gz PPJXWTHKSPCCSL-HNNXBMFYSA-N 0 0 328.372 0.784 10 0 ECAERN CN(Cc1ccccc1)C(=O)NCCC(=O)NCC(F)(F)CN ZINC000190235615 529998339 /nfs/dbraw/zinc/99/83/39/529998339.db2.gz CHAILIXWCMYHFB-UHFFFAOYSA-N 0 0 328.363 0.928 10 0 ECAERN C[C@@H]1CN([C@@H](CNC(=O)Cn2cnnn2)c2cccs2)CCO1 ZINC000177976270 232046341 /nfs/dbraw/zinc/04/63/41/232046341.db2.gz DODWXYPVQVEIFW-NEPJUHHUSA-N 0 0 336.421 0.313 10 0 ECAERN Cc1ccc([C@@H](CNC(=O)[C@@H]2CCC(=O)N2)N2CCOCC2)s1 ZINC000177969612 232045957 /nfs/dbraw/zinc/04/59/57/232045957.db2.gz JPYPOJZDLHAMMV-QWHCGFSZSA-N 0 0 337.445 0.825 10 0 ECAERN C[C@@H]1CN([C@@H](CNC(=O)NCCC(N)=O)c2cccs2)CCO1 ZINC000178512288 232214445 /nfs/dbraw/zinc/21/44/45/232214445.db2.gz UEDJWYRNWADOCN-NEPJUHHUSA-N 0 0 340.449 0.685 10 0 ECAERN CN1C(=O)c2cccc3cc(S(=O)(=O)NCCO)cc(c32)C1=O ZINC000041124942 213420487 /nfs/dbraw/zinc/42/04/87/213420487.db2.gz GJQDVENTFWXCHU-UHFFFAOYSA-N 0 0 334.353 0.336 10 0 ECAERN Cc1cc(=O)n(C)cc1NC(=O)C(=O)N1CCC[C@@H]1c1cnn(C)c1 ZINC000183040415 234865710 /nfs/dbraw/zinc/86/57/10/234865710.db2.gz ZYWPGKFSCBYBHP-CQSZACIVSA-N 0 0 343.387 0.729 10 0 ECAERN NC(=O)C[C@@H](N)C(=O)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000037799917 213168276 /nfs/dbraw/zinc/16/82/76/213168276.db2.gz ZYJMAFBRSUDYQV-SNVBAGLBSA-N 0 0 330.841 0.248 10 0 ECAERN CC(C)[C@H](NC(=O)C(C)(C)C)C(=O)N1C[C@@H]2[C@H](C1)OCCN2C ZINC000355505116 299262180 /nfs/dbraw/zinc/26/21/80/299262180.db2.gz CPFHXYMTWXJSAU-RDBSUJKOSA-N 0 0 325.453 0.715 10 0 ECAERN CCS(=O)(=O)N1CC(CNC(=O)N(C)[C@@H](C)c2cnn(C)c2)C1 ZINC000187772984 236296370 /nfs/dbraw/zinc/29/63/70/236296370.db2.gz FNGICCLGPFQBPN-NSHDSACASA-N 0 0 343.453 0.404 10 0 ECAERN Cc1nn(C)c2ncc(S(=O)(=O)N3CC(NC(=O)C4CC4)C3)cc12 ZINC000187933919 236347906 /nfs/dbraw/zinc/34/79/06/236347906.db2.gz PYUDJOCEDDXBEQ-UHFFFAOYSA-N 0 0 349.416 0.176 10 0 ECAERN Cc1ccc(CNC(=O)Cn2c3cccnc3n(C)c(=O)c2=O)o1 ZINC000035449528 213028362 /nfs/dbraw/zinc/02/83/62/213028362.db2.gz VNUNBRBTBZYDJZ-UHFFFAOYSA-N 0 0 328.328 0.313 10 0 ECAERN O=C(CN1CCN(Cc2ccccc2)C(=O)C1=O)NC[C@H]1CCCO1 ZINC000035481761 213032419 /nfs/dbraw/zinc/03/24/19/213032419.db2.gz KXAUFKUNSBMXEO-OAHLLOKOSA-N 0 0 345.399 0.153 10 0 ECAERN Nc1nc2c(c(=O)[nH]1)CCN(C(=O)C[C@H]1NC(=O)c3ccccc31)C2 ZINC000072143273 216029442 /nfs/dbraw/zinc/02/94/42/216029442.db2.gz ALLJIZZCHQMPHX-GFCCVEGCSA-N 0 0 339.355 0.112 10 0 ECAERN CNC(=O)c1ccc([C@H]2CN(C(=O)c3coc(C)n3)CCO2)nc1 ZINC000072388084 216188322 /nfs/dbraw/zinc/18/83/22/216188322.db2.gz GHTZKWHTUTULOG-CQSZACIVSA-N 0 0 330.344 0.951 10 0 ECAERN COCCn1cc(NC(=O)C(=O)N2CCCC[C@H]2c2cn[nH]c2)cn1 ZINC000190158532 238259952 /nfs/dbraw/zinc/25/99/52/238259952.db2.gz PTAVWOQMLQNURS-AWEZNQCLSA-N 0 0 346.391 0.945 10 0 ECAERN CCc1nc2n(n1)C[C@H](NS(=O)(=O)CC[C@H]1CCCO1)CC2 ZINC000120693106 545752662 /nfs/dbraw/zinc/75/26/62/545752662.db2.gz VOFRZOYCWAWUNQ-VXGBXAGGSA-N 0 0 328.438 0.644 10 0 ECAERN CCn1cc([C@H]2CN(C(=O)[C@@H](C)CS(C)(=O)=O)CCO2)cn1 ZINC000191750627 239282124 /nfs/dbraw/zinc/28/21/24/239282124.db2.gz AAQMWYNBQKKYFM-WCQYABFASA-N 0 0 329.422 0.484 10 0 ECAERN O=C(Nc1ccc(F)cn1)C(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000193474994 240179654 /nfs/dbraw/zinc/17/96/54/240179654.db2.gz MOLAKAKUWITXBA-GFCCVEGCSA-N 0 0 333.323 0.283 10 0 ECAERN O=C(NC[C@@H](O)CN1CCOCC1)c1coc(-c2ccccc2)n1 ZINC000132833825 223366719 /nfs/dbraw/zinc/36/67/19/223366719.db2.gz UJWPRNVRTRBHHJ-CQSZACIVSA-N 0 0 331.372 0.765 10 0 ECAERN O=C(N[C@H]1CCN(c2ccccn2)C1)N[C@@H]1CCc2ncnn2C1 ZINC000132990905 223380178 /nfs/dbraw/zinc/38/01/78/223380178.db2.gz CBTHSEXHPZKJQU-OLZOCXBDSA-N 0 0 327.392 0.566 10 0 ECAERN O=C([C@H]1Cc2ccccc2C(=O)O1)N1CC[C@@H](N2CCOCC2)C1 ZINC000172762529 296153160 /nfs/dbraw/zinc/15/31/60/296153160.db2.gz MGVYGCLTOWKDEI-GDBMZVCRSA-N 0 0 330.384 0.701 10 0 ECAERN CC(=O)N[C@@H]1[C@H](O)[C@H](O)[C@H](CO)O[C@H]1Oc1ccc2ccccc2c1 ZINC000015205828 211807793 /nfs/dbraw/zinc/80/77/93/211807793.db2.gz QKMSGRRTZKSWCS-OBVSXPTNSA-N 0 0 347.367 0.162 10 0 ECAERN CC(=O)NCCCNC(=O)N1CCN([C@@H](C)c2nc(C)no2)CC1 ZINC000111823216 220199599 /nfs/dbraw/zinc/19/95/99/220199599.db2.gz BYPBUWOUPGVJKB-NSHDSACASA-N 0 0 338.412 0.292 10 0 ECAERN CCOCCO[C@@H](C)C(=O)N1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000112065158 220237649 /nfs/dbraw/zinc/23/76/49/220237649.db2.gz ACHQHURSQNWWDY-LSDHHAIUSA-N 0 0 325.409 0.861 10 0 ECAERN COCCCNC(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1 ZINC000012020402 211279453 /nfs/dbraw/zinc/27/94/53/211279453.db2.gz ZEWPWRCDKDHLFI-UHFFFAOYSA-N 0 0 326.374 0.519 10 0 ECAERN COC(=O)c1ccc(CNC(=O)C[C@H]2C(=O)NCCN2C(C)C)cc1 ZINC000011817031 211250246 /nfs/dbraw/zinc/25/02/46/211250246.db2.gz JYILKFISFISLON-HNNXBMFYSA-N 0 0 347.415 0.688 10 0 ECAERN Cc1cccc(OC2CN(C(=O)C3CCN(CC(N)=O)CC3)C2)c1 ZINC000091737816 218055814 /nfs/dbraw/zinc/05/58/14/218055814.db2.gz TWICXYOCAGRBOT-UHFFFAOYSA-N 0 0 331.416 0.782 10 0 ECAERN Cc1nn(CC(C)C)c(C)c1CCC(=O)N1CCOC[C@@H]1C(N)=O ZINC000091781185 218065570 /nfs/dbraw/zinc/06/55/70/218065570.db2.gz XMCUDLYOMLVMRC-OAHLLOKOSA-N 0 0 336.436 0.801 10 0 ECAERN Cc1ccc(-c2nc(CC(=O)N3CCOC[C@H]3C(N)=O)cs2)o1 ZINC000091783124 218065765 /nfs/dbraw/zinc/06/57/65/218065765.db2.gz PFKWTGUYMQCTGL-NSHDSACASA-N 0 0 335.385 0.967 10 0 ECAERN Cn1cnc(S(=O)(=O)N2C[C@@H](OCC3CC3)[C@H]3OCCC[C@H]32)c1 ZINC000096042386 218526257 /nfs/dbraw/zinc/52/62/57/218526257.db2.gz LUXLPHBCNWARIN-NFAWXSAZSA-N 0 0 341.433 0.767 10 0 ECAERN CCOC[C@@H]1CC[C@H]2[C@H](CCN2S(=O)(=O)c2cn(C)cn2)O1 ZINC000096064591 218559346 /nfs/dbraw/zinc/55/93/46/218559346.db2.gz DJVRSYIRYRQQSC-AVGNSLFASA-N 0 0 329.422 0.767 10 0 ECAERN Cn1c2ccc(S(=O)(=O)NC(C)(C)C)cc2n(C)c(=O)c1=O ZINC000005026162 210365488 /nfs/dbraw/zinc/36/54/88/210365488.db2.gz JWIMLJOZESXXOY-UHFFFAOYSA-N 0 0 325.390 0.314 10 0 ECAERN O=C(CSc1nnnn1C1CCCC1)N[C@@H]1CCc2ncnn2C1 ZINC000112653333 220365775 /nfs/dbraw/zinc/36/57/75/220365775.db2.gz VTXMWIGTXQOBMP-SNVBAGLBSA-N 0 0 348.436 0.603 10 0 ECAERN CCn1c2ccccc2n(CC(=O)N[C@@H]2CCc3ncnn3C2)c1=O ZINC000112660832 220367040 /nfs/dbraw/zinc/36/70/40/220367040.db2.gz GKXXAKQSRJTQQA-GFCCVEGCSA-N 0 0 340.387 0.546 10 0 ECAERN O=C(CCCNC(=O)c1ccsc1)N[C@@H]1CCc2ncnn2C1 ZINC000112661369 220367953 /nfs/dbraw/zinc/36/79/53/220367953.db2.gz ZREMXGJEBGETLO-GFCCVEGCSA-N 0 0 333.417 0.981 10 0 ECAERN O=C(NCCCNC(=O)c1cccs1)N[C@H]1CCc2ncnn2C1 ZINC000112747192 220395685 /nfs/dbraw/zinc/39/56/85/220395685.db2.gz JESHTOZWYOBBNU-NSHDSACASA-N 0 0 348.432 0.774 10 0 ECAERN Cc1ccc(C(=O)NCCNC(=O)N[C@H]2CCc3ncnn3C2)cc1 ZINC000112750280 220396610 /nfs/dbraw/zinc/39/66/10/220396610.db2.gz FBONIQGEXGJQAQ-AWEZNQCLSA-N 0 0 342.403 0.631 10 0 ECAERN COCCN(C)S(=O)(=O)N1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC000116899907 221008923 /nfs/dbraw/zinc/00/89/23/221008923.db2.gz CVUKMDKMPYUQRN-CQSZACIVSA-N 0 0 345.469 0.430 10 0 ECAERN Cc1cc(S(=O)(=O)N[C@H]2CCc3ncnn3C2)cnc1Cl ZINC000117365366 221057872 /nfs/dbraw/zinc/05/78/72/221057872.db2.gz ZPMYYWGMWWJAGR-VIFPVBQESA-N 0 0 327.797 0.928 10 0 ECAERN COCCN1CCN(C(=O)CNC(=O)c2ccccc2C)C[C@@H]1C ZINC000117425134 221060876 /nfs/dbraw/zinc/06/08/76/221060876.db2.gz STXLRYJQXGWFGO-HNNXBMFYSA-N 0 0 333.432 0.904 10 0 ECAERN COCCN1CCN(C(=O)Cn2c(=O)cnc3ccccc32)C[C@H]1C ZINC000117289830 221044978 /nfs/dbraw/zinc/04/49/78/221044978.db2.gz LQZIGUVKWKHQSW-CQSZACIVSA-N 0 0 344.415 0.576 10 0 ECAERN COCCNC(=O)c1ccc(N2CCC[C@@H](Cn3cncn3)C2)nc1 ZINC000117866263 221094990 /nfs/dbraw/zinc/09/49/90/221094990.db2.gz AMGIICVMACSDBT-CQSZACIVSA-N 0 0 344.419 0.966 10 0 ECAERN Cc1cnn(CCNC(=O)C(=O)Nc2ccc3c(c2)CN(C)C3)c1 ZINC000118134244 221128465 /nfs/dbraw/zinc/12/84/65/221128465.db2.gz BUBRULBORJAPSI-UHFFFAOYSA-N 0 0 327.388 0.892 10 0 ECAERN CN1CCO[C@H](CNC(=O)C(=O)Nc2ccc(-n3cccn3)cc2)C1 ZINC000118115677 221121663 /nfs/dbraw/zinc/12/16/63/221121663.db2.gz VFBYBOSMHIVGCS-OAHLLOKOSA-N 0 0 343.387 0.258 10 0 ECAERN CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000119531963 221341201 /nfs/dbraw/zinc/34/12/01/221341201.db2.gz QYPXXPFEILNREH-GFCCVEGCSA-N 0 0 345.403 0.462 10 0 ECAERN CNC(=O)[C@@H]1C[C@H]2CN(C(=O)c3ccc(C)cc3)C[C@H]2N1C(C)=O ZINC000247938937 257672766 /nfs/dbraw/zinc/67/27/66/257672766.db2.gz MGMZEZXEEWKTIN-HRCADAONSA-N 0 0 329.400 0.802 10 0 ECAERN CC(C)OC[C@H](O)CN1CCC[C@@H]1c1nc(C(=O)NC2CC2)no1 ZINC000328621160 258036248 /nfs/dbraw/zinc/03/62/48/258036248.db2.gz AIUTWKOHYVPFGL-CHWSQXEVSA-N 0 0 338.408 0.885 10 0 ECAERN COc1c(C)cnc(CN2CCO[C@@H](CN(C)CC(N)=O)C2)c1C ZINC000282191467 258013144 /nfs/dbraw/zinc/01/31/44/258013144.db2.gz WOVOAYNLIYPRLF-AWEZNQCLSA-N 0 0 336.436 0.325 10 0 ECAERN CCS(=O)(=O)N1CC(CNC(=O)N[C@@H]2CCCC[C@@H]2CO)C1 ZINC000333069687 297106318 /nfs/dbraw/zinc/10/63/18/297106318.db2.gz ONSKAJUGGCYVAO-CHWSQXEVSA-N 0 0 333.454 0.118 10 0 ECAERN CCCC(=O)N[C@@H]1CCCN(C(=O)NCCCC(=O)N(C)C)C1 ZINC000171181591 296720747 /nfs/dbraw/zinc/72/07/47/296720747.db2.gz XKAXOVDVKMBCHF-CYBMUJFWSA-N 0 0 326.441 0.945 10 0 ECAERN C[C@@H](CNC(=O)C(=O)Nc1ccc(Cl)cn1)N1CCOCC1 ZINC000192919724 286856368 /nfs/dbraw/zinc/85/63/68/286856368.db2.gz VOHMMPZLYPIFOE-JTQLQIEISA-N 0 0 326.784 0.510 10 0 ECAERN CCc1cc(=O)[nH]c(-c2cccc(NC(=O)[C@@H](C)NC(N)=O)c2)n1 ZINC000058941121 164567844 /nfs/dbraw/zinc/56/78/44/164567844.db2.gz PCCMVXMKMDQPCI-SECBINFHSA-N 0 0 329.360 0.995 10 0 ECAERN Cc1nnc2n1CCN(C(=O)CN1C(=O)c3ccccc3C1=O)C2 ZINC000074815839 164597337 /nfs/dbraw/zinc/59/73/37/164597337.db2.gz GGYYFUPGXCPUQQ-UHFFFAOYSA-N 0 0 325.328 0.225 10 0 ECAERN O=C(Nc1cccc(OCCF)c1)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000130933140 164692152 /nfs/dbraw/zinc/69/21/52/164692152.db2.gz ZYOYWLSSOMKRKS-GFCCVEGCSA-N 0 0 347.350 0.696 10 0 ECAERN COCCOCCS(=O)(=O)N1CCC(c2ccnn2C)CC1 ZINC000154158969 164761384 /nfs/dbraw/zinc/76/13/84/164761384.db2.gz YOSHBDPSJSZHPP-UHFFFAOYSA-N 0 0 331.438 0.592 10 0 ECAERN C[C@@H]1CN(C(=O)CS(=O)(=O)C(C)(C)C)C[C@@H]1N1CCOCC1 ZINC000154578588 164767089 /nfs/dbraw/zinc/76/70/89/164767089.db2.gz GSFNVRVIDXCGKK-OLZOCXBDSA-N 0 0 332.466 0.379 10 0 ECAERN CCn1cc(C2CCN(S(=O)(=O)N(C)CCOC)CC2)cn1 ZINC000159284359 164797226 /nfs/dbraw/zinc/79/72/26/164797226.db2.gz ZBFUGHXFFAKASI-UHFFFAOYSA-N 0 0 330.454 0.905 10 0 ECAERN Cc1cc(O)cc(=O)n1CC(=O)N1CC[C@@H](Oc2cccnc2)C1 ZINC000161521402 164807672 /nfs/dbraw/zinc/80/76/72/164807672.db2.gz GMECXMVOQVILHF-OAHLLOKOSA-N 0 0 329.356 0.937 10 0 ECAERN CC(C)n1nccc1NC(=O)C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000176079608 164888575 /nfs/dbraw/zinc/88/85/75/164888575.db2.gz JYXVELQISDAAAR-CYBMUJFWSA-N 0 0 335.408 0.336 10 0 ECAERN CN(C(=O)c1cc(C(N)=O)c[nH]1)[C@H]1CCCN(c2cccnn2)C1 ZINC000176782678 164896499 /nfs/dbraw/zinc/89/64/99/164896499.db2.gz XJDUJQKFFVMKBZ-LBPRGKRZSA-N 0 0 328.376 0.645 10 0 ECAERN Cc1cc(N2CCC[C@H](NC(=O)NCC3(CCO)CC3)C2=O)n(C)n1 ZINC000187364898 164990832 /nfs/dbraw/zinc/99/08/32/164990832.db2.gz VGVJCEHAHZEGAU-ZDUSSCGKSA-N 0 0 349.435 0.686 10 0 ECAERN C[C@@H](NC(=O)N1CC(NC(=O)C2CCC2)C1)[C@H](C)N1CCOCC1 ZINC000188842486 165003478 /nfs/dbraw/zinc/00/34/78/165003478.db2.gz WCBPPMLAVLNKDK-OLZOCXBDSA-N 0 0 338.452 0.406 10 0 ECAERN C[C@@H]1C(=O)NCCCN1C(=O)[C@H]1CCCN1C(=O)Cc1ccccc1 ZINC000189233723 165006801 /nfs/dbraw/zinc/00/68/01/165006801.db2.gz XOMCZQNHBGYTAZ-GDBMZVCRSA-N 0 0 343.427 0.957 10 0 ECAERN O=C(CCn1cnc2ccccc2c1=O)N1CC(NC(=O)C2CC2)C1 ZINC000189432128 165009520 /nfs/dbraw/zinc/00/95/20/165009520.db2.gz VHHZVGNRSUVRGB-UHFFFAOYSA-N 0 0 340.383 0.524 10 0 ECAERN C[C@H](C1CC1)n1cc(NC(=O)C(=O)N2CCCNC(=O)[C@H]2C)cn1 ZINC000190664593 165024400 /nfs/dbraw/zinc/02/44/00/165024400.db2.gz SSGDKXWDULPZNT-GHMZBOCLSA-N 0 0 333.392 0.530 10 0 ECAERN C[C@@H]1C(=O)NCCCN1C(=O)C(=O)Nc1cccc2ccn(C)c21 ZINC000190682620 165024537 /nfs/dbraw/zinc/02/45/37/165024537.db2.gz YJKNQLKGRYSWBQ-LLVKDONJSA-N 0 0 328.372 0.854 10 0 ECAERN C[C@H]1C(=O)NCCCN1C(=O)NCC[S@@](=O)Cc1ccccc1 ZINC000191402594 165032287 /nfs/dbraw/zinc/03/22/87/165032287.db2.gz MFDRIHZHPYHBMH-ZAMGYDSWSA-N 0 0 337.445 0.855 10 0 ECAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NC[C@@H](C)N1CCc2ccccc21 ZINC000192632646 165045079 /nfs/dbraw/zinc/04/50/79/165045079.db2.gz KDTMLZPOWHKQHT-SRCQZFHVSA-N 0 0 331.416 0.536 10 0 ECAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N[C@@H]1CCCN(c2ccccc2)C1 ZINC000193274336 165055415 /nfs/dbraw/zinc/05/54/15/165055415.db2.gz ZIVISEYPVNTYHZ-DJIMGWMZSA-N 0 0 331.416 0.753 10 0 ECAERN CN1CCO[C@H](CNC(=O)C2=NN(Cc3ccccc3)C(=O)CC2)C1 ZINC000194610539 165068105 /nfs/dbraw/zinc/06/81/05/165068105.db2.gz YTGHGEGOGWCKLE-OAHLLOKOSA-N 0 0 344.415 0.612 10 0 ECAERN CCN(CC)C(=O)CN1CCCN(Cc2nnc(C)n2CC)CC1 ZINC000195067126 165073601 /nfs/dbraw/zinc/07/36/01/165073601.db2.gz WQTBDIXKPOWLRR-UHFFFAOYSA-N 0 0 336.484 0.983 10 0 ECAERN CCc1nnc(CN2CCCN(CC(=O)N3CCCC3)CC2)n1C ZINC000195058183 165074980 /nfs/dbraw/zinc/07/49/80/165074980.db2.gz UJZPZWDULQIQLO-UHFFFAOYSA-N 0 0 334.468 0.508 10 0 ECAERN C[C@@H]1CN([C@H](CNC(=O)[C@@H]2CCC(=O)N2)c2cccs2)CCO1 ZINC000247185318 165156416 /nfs/dbraw/zinc/15/64/16/165156416.db2.gz ZXMOVEWOKDCRSQ-FRRDWIJNSA-N 0 0 337.445 0.905 10 0 ECAERN CC(C)(CNC(=O)CN1CCO[C@@H]2CCCC[C@H]21)N1CCOCC1 ZINC000250371988 165206592 /nfs/dbraw/zinc/20/65/92/165206592.db2.gz WEZDEJZQPDVBQP-HZPDHXFCSA-N 0 0 339.480 0.857 10 0 ECAERN COCCN1CCN(c2cnn(C)c(=O)c2Br)C[C@H]1C ZINC000261465647 165210392 /nfs/dbraw/zinc/21/03/92/165210392.db2.gz NQMPDCXDYTYBMM-SNVBAGLBSA-N 0 0 345.241 0.700 10 0 ECAERN C[C@H]1OCCN[C@@H]1C(=O)Nc1ccccc1CN1C(=O)CCC1=O ZINC000261918396 165261795 /nfs/dbraw/zinc/26/17/95/165261795.db2.gz JZKPSNJEBSACBB-BZNIZROVSA-N 0 0 331.372 0.651 10 0 ECAERN CCC[C@@H]([NH2+]CCC(=O)N1CCN(c2ncccn2)CC1)C(=O)[O-] ZINC000262296302 165326167 /nfs/dbraw/zinc/32/61/67/165326167.db2.gz OWPVUHZRLFBJDQ-CYBMUJFWSA-N 0 0 335.408 0.358 10 0 ECAERN COC[C@H]([NH3+])C(=O)NCCC(=O)Nc1cc(Cl)ccc1OC ZINC000262336154 165331201 /nfs/dbraw/zinc/33/12/01/165331201.db2.gz SEWWMEMBHHFXTC-JTQLQIEISA-N 0 0 329.784 0.767 10 0 ECAERN COc1cc(C(=O)NC[C@H]2CCCC[C@H]2O)ccc1OCC(N)=O ZINC000262412735 165347182 /nfs/dbraw/zinc/34/71/82/165347182.db2.gz YEAMHVMZZROAHG-CHWSQXEVSA-N 0 0 336.388 0.840 10 0 ECAERN Cc1cc(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000262509598 165357457 /nfs/dbraw/zinc/35/74/57/165357457.db2.gz KILFGKABXUBTEM-ULKQDVFKSA-N 0 0 329.360 0.757 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)c2ccc(C(=O)NC)nc2)C1 ZINC000262681861 165373476 /nfs/dbraw/zinc/37/34/76/165373476.db2.gz AVOMKBGWXIVBEE-UHFFFAOYSA-N 0 0 334.376 0.109 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)c2csc(NC(C)=O)n2)C1 ZINC000262708917 165375984 /nfs/dbraw/zinc/37/59/84/165375984.db2.gz KTNPAQKZLYPCRL-UHFFFAOYSA-N 0 0 340.405 0.769 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)c2ccnc(-n3ccnc3)c2)C1 ZINC000262744360 165380140 /nfs/dbraw/zinc/38/01/40/165380140.db2.gz XBPRLDLDIWQOCT-UHFFFAOYSA-N 0 0 343.387 0.935 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)COc2ccc(C(N)=O)cc2)C1 ZINC000262849102 165395152 /nfs/dbraw/zinc/39/51/52/165395152.db2.gz WKHNAFJAARNBPM-UHFFFAOYSA-N 0 0 349.387 0.218 10 0 ECAERN OC[C@H]1CCCN(c2cc(NC[C@@H]3CN4CCN3CC4)ncn2)C1 ZINC000301770693 296891045 /nfs/dbraw/zinc/89/10/45/296891045.db2.gz JJBNGFLQAIWJRX-LSDHHAIUSA-N 0 0 332.452 0.097 10 0 ECAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NC[C@@H]1CCC[C@H](O)C1 ZINC000122428372 222084910 /nfs/dbraw/zinc/08/49/10/222084910.db2.gz QZYMTTIMIIFULZ-HZSPNIEDSA-N 0 0 332.466 0.858 10 0 ECAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)CCSc1nnnn1C ZINC000088196982 263144224 /nfs/dbraw/zinc/14/42/24/263144224.db2.gz OTEJRTRBHCGEEV-SECBINFHSA-N 0 0 336.425 0.498 10 0 ECAERN O=C(CNC(=O)c1ccc(F)cc1F)N[C@H]1CCCn2ncnc21 ZINC000175822810 263152005 /nfs/dbraw/zinc/15/20/05/263152005.db2.gz VFPDRWAZKHKPEX-LBPRGKRZSA-N 0 0 335.314 0.937 10 0 ECAERN COc1ncccc1CN1CCN(c2ccc3nncn3n2)CC1 ZINC000193335838 263166637 /nfs/dbraw/zinc/16/66/37/263166637.db2.gz OJSXZXVRTUEBDR-UHFFFAOYSA-N 0 0 325.376 0.850 10 0 ECAERN COC1(CNC(=O)N[C@H]2CCCN(c3nccn(C)c3=O)C2)CCC1 ZINC000275492221 263607119 /nfs/dbraw/zinc/60/71/19/263607119.db2.gz AQCQJWSGNSFNRP-ZDUSSCGKSA-N 0 0 349.435 0.617 10 0 ECAERN CN(C)c1ncccc1O[C@@H]1CCN(C(=O)N[C@@H]2CCN(C)C2=O)C1 ZINC000276714618 263746013 /nfs/dbraw/zinc/74/60/13/263746013.db2.gz PVWIBHDSFTZGTE-CHWSQXEVSA-N 0 0 347.419 0.541 10 0 ECAERN Cc1nc2ccc(N3CC[C@@](O)(c4cn(C(C)C)nn4)C3)nn2n1 ZINC000284559205 264228454 /nfs/dbraw/zinc/22/84/54/264228454.db2.gz ODBIOAJEEYWTON-HNNXBMFYSA-N 0 0 328.380 0.703 10 0 ECAERN NC(=O)[C@]1(O)CCCN(C(=O)c2ccccc2Br)C1 ZINC000284823024 264241507 /nfs/dbraw/zinc/24/15/07/264241507.db2.gz CAALIBHDVLCOBB-ZDUSSCGKSA-N 0 0 327.178 0.902 10 0 ECAERN O=C(NC1CN(C(=O)c2ccc(N3CCNC3=O)cc2)C1)C1CC1 ZINC000189451363 437598481 /nfs/dbraw/zinc/59/84/81/437598481.db2.gz LQYFJJLOIMJJDG-UHFFFAOYSA-N 0 0 328.372 0.567 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)C(=O)Nc2cccnc2Cl)CC1 ZINC000189456844 437602407 /nfs/dbraw/zinc/60/24/07/437602407.db2.gz WKGGBQSDLVAUFU-NSHDSACASA-N 0 0 340.811 0.589 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)N[C@@H](C)c2nnc3ccccn32)CC1 ZINC000184760835 280204977 /nfs/dbraw/zinc/20/49/77/280204977.db2.gz BUUHHSIMTFXOJA-UONOGXRCSA-N 0 0 346.435 0.888 10 0 ECAERN C[C@H](O)CN1CCN(C(=O)[C@H](C)NC(=O)Nc2ccccc2)CC1 ZINC000189712220 437606947 /nfs/dbraw/zinc/60/69/47/437606947.db2.gz JKSGYKAEIQNYTR-KBPBESRZSA-N 0 0 334.420 0.722 10 0 ECAERN CCc1nnc([C@H]2CN(C(=O)c3ccn(CCOC)n3)CCO2)[nH]1 ZINC000189945617 437612433 /nfs/dbraw/zinc/61/24/33/437612433.db2.gz OHHXBLFHHIGGSR-GFCCVEGCSA-N 0 0 334.380 0.424 10 0 ECAERN Cc1cc(N2CCC[C@@H](NC(=O)c3ncccc3O)C2=O)n(C)n1 ZINC000189979032 437613418 /nfs/dbraw/zinc/61/34/18/437613418.db2.gz HUVJRKLRFULTSH-LLVKDONJSA-N 0 0 329.360 0.755 10 0 ECAERN C[C@H](CNC(=O)C(=O)Nc1cc(F)c(F)c(F)c1)N1CCOCC1 ZINC000121350703 289635481 /nfs/dbraw/zinc/63/54/81/289635481.db2.gz AHHNHUDZMPBCKL-SECBINFHSA-N 0 0 345.321 0.879 10 0 ECAERN CN1C(=O)CC[C@H](C(=O)NCC(=O)NC2CC2)[C@@H]1c1ccccc1 ZINC000171987343 289802897 /nfs/dbraw/zinc/80/28/97/289802897.db2.gz LKYRFMSXJJZYHM-YOEHRIQHSA-N 0 0 329.400 0.991 10 0 ECAERN Cc1ccc(Cn2nccc2NC(=O)C(=O)N2CCC[C@H]2CO)o1 ZINC000189923331 437614785 /nfs/dbraw/zinc/61/47/85/437614785.db2.gz JIBPJBGWABLFJO-LBPRGKRZSA-N 0 0 332.360 0.755 10 0 ECAERN CN1CC[C@H](NC(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2ccccc2)C1=O ZINC000246600588 290210232 /nfs/dbraw/zinc/21/02/32/290210232.db2.gz ANVFKNWSLKQMLW-YCPHGPKFSA-N 0 0 329.400 0.943 10 0 ECAERN Cc1noc([C@H]2COCCN2C(=O)c2ccc3nnn(C)c3c2)n1 ZINC000121100345 293981040 /nfs/dbraw/zinc/98/10/40/293981040.db2.gz GNNIGNVQLFQWBM-CYBMUJFWSA-N 0 0 328.332 0.873 10 0 ECAERN Cn1cc(CN2CCCN(C(=O)NOC[C@@H]3CCOC3)CC2)cn1 ZINC000190421815 437622484 /nfs/dbraw/zinc/62/24/84/437622484.db2.gz JRMYGRJJDWFHTQ-CQSZACIVSA-N 0 0 337.424 0.606 10 0 ECAERN NC(=O)[C@@H]1COCCN1C(=O)[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000248657554 295119441 /nfs/dbraw/zinc/11/94/41/295119441.db2.gz XJTFFRHSXBIHCT-LNLATYFQSA-N 0 0 328.290 0.920 10 0 ECAERN N[C@@H]1C(=O)N2C(C(=O)[O-])=C(C[n+]3cccc4c3CCC4)CS[C@H]12 ZINC000035899791 295296166 /nfs/dbraw/zinc/29/61/66/295296166.db2.gz VEQQSGCBFQNSOF-IUODEOHRSA-O 0 0 332.405 0.044 10 0 ECAERN CNS(=O)(=O)c1cccc2c1CCN([C@H]1COC[C@@H]1OC)C2 ZINC000333694231 297147799 /nfs/dbraw/zinc/14/77/99/297147799.db2.gz MZDOKYMICHONFX-KBPBESRZSA-N 0 0 326.418 0.367 10 0 ECAERN C[C@@H](O)CN1CCN(C(=O)c2ccnc(-n3ccnc3)c2)C[C@@H]1C ZINC000174325236 533694546 /nfs/dbraw/zinc/69/45/46/533694546.db2.gz RAROPGCFINPUNQ-UONOGXRCSA-N 0 0 329.404 0.794 10 0 ECAERN CCOC(=O)[C@@H]1CCCN1C[C@@H](O)CN1C(=O)c2ccccc2C1=O ZINC000362256322 300176312 /nfs/dbraw/zinc/17/63/12/300176312.db2.gz GAMZMKARDGZHDZ-DOMZBBRYSA-N 0 0 346.383 0.671 10 0 ECAERN CC[C@@H]1CN(C(=O)[C@H]2CCCN(C(C)=O)C2)C[C@@H]1N1CCOCC1 ZINC000364090644 300325340 /nfs/dbraw/zinc/32/53/40/300325340.db2.gz DMPWQHVSKSJYNN-IKGGRYGDSA-N 0 0 337.464 0.814 10 0 ECAERN Cc1cc2nc(CN3CCN(c4ncccn4)CC3)cc(=O)n2o1 ZINC000015731934 436083743 /nfs/dbraw/zinc/08/37/43/436083743.db2.gz MONKZXIQPYDEHV-UHFFFAOYSA-N 0 0 326.360 0.708 10 0 ECAERN CC(C)OCCN1CCN(C(=O)[C@@H](C)NC(=O)c2ccco2)CC1 ZINC000074389691 436126949 /nfs/dbraw/zinc/12/69/49/436126949.db2.gz QENIOPJSKMGLIJ-CQSZACIVSA-N 0 0 337.420 0.967 10 0 ECAERN COc1ccc(S(=O)(=O)N2CCn3c(C)nnc3C2)cc1OC ZINC000074815969 436141731 /nfs/dbraw/zinc/14/17/31/436141731.db2.gz TUGPESMROLJECK-UHFFFAOYSA-N 0 0 338.389 0.808 10 0 ECAERN COc1ccc(OC)c(S(=O)(=O)N2CCn3c(C)nnc3C2)c1 ZINC000074815973 436142473 /nfs/dbraw/zinc/14/24/73/436142473.db2.gz DLYKCYZEQPCZAI-UHFFFAOYSA-N 0 0 338.389 0.808 10 0 ECAERN O=C(CN1CCN(C[C@@H](O)COCc2ccccc2)CC1)NC1CC1 ZINC000025300769 436149847 /nfs/dbraw/zinc/14/98/47/436149847.db2.gz SZTJOIRABNFWHO-GOSISDBHSA-N 0 0 347.459 0.460 10 0 ECAERN Cc1cc(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000177207929 301141374 /nfs/dbraw/zinc/14/13/74/301141374.db2.gz SXPQRHFLANHYJY-CMPLNLGQSA-N 0 0 345.403 0.791 10 0 ECAERN Cc1nc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3C[C@@H]3C)CC2)cn1C ZINC000075511472 436163570 /nfs/dbraw/zinc/16/35/70/436163570.db2.gz DXJKXKBNBPLYJI-GXFFZTMASA-N 0 0 340.449 0.654 10 0 ECAERN CO[C@@H]1CCC[C@@H]1[C@H]1COCCN1S(=O)(=O)[C@@H](C)C(=O)N(C)C ZINC000375215748 301158996 /nfs/dbraw/zinc/15/89/96/301158996.db2.gz OZQXWDAHPMUFCP-REWJHTLYSA-N 0 0 348.465 0.309 10 0 ECAERN C[C@H](CNC(=O)C(=O)Nc1ccc2n[nH]cc2c1)N1CCOCC1 ZINC000076238691 436196966 /nfs/dbraw/zinc/19/69/66/436196966.db2.gz XCULFBHQBAAZRA-LLVKDONJSA-N 0 0 331.376 0.338 10 0 ECAERN CNC(=O)c1ccc(CN(C)C(=O)NC[C@H](C)N2CCOCC2)cc1 ZINC000046260971 436391241 /nfs/dbraw/zinc/39/12/41/436391241.db2.gz PLDXZGAARGWOIK-AWEZNQCLSA-N 0 0 348.447 0.908 10 0 ECAERN C[C@H](CNC(=O)N1CCC(NC(=O)C2CC2)CC1)N1CCOCC1 ZINC000046260641 436391267 /nfs/dbraw/zinc/39/12/67/436391267.db2.gz GFHSLWHSEQMIMR-CYBMUJFWSA-N 0 0 338.452 0.407 10 0 ECAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)N(C)CCN1CCOCC1 ZINC000088755028 436403953 /nfs/dbraw/zinc/40/39/53/436403953.db2.gz OXOIHVKPPGMMRM-CYBMUJFWSA-N 0 0 336.440 0.649 10 0 ECAERN C[C@@H](Oc1ccc(F)cc1Cl)C(=O)N1CCOC[C@@H]1C(N)=O ZINC000091780631 436459973 /nfs/dbraw/zinc/45/99/73/436459973.db2.gz FJZIVYLZWKVKEA-LDYMZIIASA-N 0 0 330.743 0.959 10 0 ECAERN NC(=O)[C@@H]1COCCN1C(=O)Cc1cccc(OCC(F)(F)F)c1 ZINC000091781474 436460138 /nfs/dbraw/zinc/46/01/38/436460138.db2.gz JKFOTMWXLNVQSL-LBPRGKRZSA-N 0 0 346.305 0.883 10 0 ECAERN NC(=O)[C@@H]1COCCN1C(=O)Cc1cccc(OC(F)(F)F)c1 ZINC000091783596 436460152 /nfs/dbraw/zinc/46/01/52/436460152.db2.gz BWMILRHGBXSXBD-NSHDSACASA-N 0 0 332.278 0.840 10 0 ECAERN Cn1cc(Br)cc1C(=O)N1CC[C@@]2(C1)NC(=O)NC2=O ZINC000089750177 436416249 /nfs/dbraw/zinc/41/62/49/436416249.db2.gz DLPADJIZPJAJKQ-LBPRGKRZSA-N 0 0 341.165 0.212 10 0 ECAERN CCCCOCCNC(=O)CN1CCCN(c2cccnn2)CC1 ZINC000105800225 436577524 /nfs/dbraw/zinc/57/75/24/436577524.db2.gz LAVPOMLIUHQXAH-UHFFFAOYSA-N 0 0 335.452 0.922 10 0 ECAERN CN1CCO[C@@H](CNC(=O)NCCC(=O)NCc2ccccc2)C1 ZINC000104798678 436562987 /nfs/dbraw/zinc/56/29/87/436562987.db2.gz PLIWKONTKSIOHV-HNNXBMFYSA-N 0 0 334.420 0.323 10 0 ECAERN COc1cccc(N2CCN(C(=O)NC[C@@H]3CN(C)CCO3)CC2)c1 ZINC000104799640 436564306 /nfs/dbraw/zinc/56/43/06/436564306.db2.gz MTGUFMHFWLXIBR-QGZVFWFLSA-N 0 0 348.447 0.857 10 0 ECAERN CCc1nccn1[C@@H]1CCCN(C(=O)CN2C(=O)CN(C)C2=O)C1 ZINC000105851773 436582386 /nfs/dbraw/zinc/58/23/86/436582386.db2.gz WACIXKWRVWLJNQ-GFCCVEGCSA-N 0 0 333.392 0.503 10 0 ECAERN CCCS(=O)(=O)CCN1CCCN(Cc2cnn(C)c2)CC1 ZINC000105870002 436583057 /nfs/dbraw/zinc/58/30/57/436583057.db2.gz FIWSSBZBHDEIMD-UHFFFAOYSA-N 0 0 328.482 0.753 10 0 ECAERN Cn1cnnc1CN1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000105894443 436584997 /nfs/dbraw/zinc/58/49/97/436584997.db2.gz YZDLLSOHVFIMQX-HNNXBMFYSA-N 0 0 331.420 0.373 10 0 ECAERN O=C(CN1CCC[C@@H](n2cncn2)C1)N1CC(=O)Nc2ccccc21 ZINC000105898061 436586140 /nfs/dbraw/zinc/58/61/40/436586140.db2.gz YCHMNXAZGXPSTG-CYBMUJFWSA-N 0 0 340.387 0.900 10 0 ECAERN C[C@H](C(=O)NC[C@H]1CCCO1)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000105917612 436586250 /nfs/dbraw/zinc/58/62/50/436586250.db2.gz LFPRUQIPDQQGRU-NVXWUHKLSA-N 0 0 349.479 0.612 10 0 ECAERN C[C@@H](C(=O)NC[C@H]1CCCO1)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000105917608 436587604 /nfs/dbraw/zinc/58/76/04/436587604.db2.gz LFPRUQIPDQQGRU-DOTOQJQBSA-N 0 0 349.479 0.612 10 0 ECAERN COCCCN(Cc1ccncc1)C(=O)NC[C@@H]1CN(C)CCO1 ZINC000106561331 436597697 /nfs/dbraw/zinc/59/76/97/436597697.db2.gz RCYMPQZHGHYHGA-MRXNPFEDSA-N 0 0 336.436 0.960 10 0 ECAERN CN1CCO[C@@H](CNC(=O)NCCn2c3ccccc3oc2=O)C1 ZINC000106561400 436598208 /nfs/dbraw/zinc/59/82/08/436598208.db2.gz ZKEVCWJFXHZQFE-LBPRGKRZSA-N 0 0 334.376 0.224 10 0 ECAERN CS(=O)(=O)NCCN1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000107300321 436609735 /nfs/dbraw/zinc/60/97/35/436609735.db2.gz DPJNTWCJXXJMTQ-LBPRGKRZSA-N 0 0 327.454 0.691 10 0 ECAERN O=C(Nc1cc[nH]n1)[C@@H](NC(=O)[C@H]1CNC(=O)C1)c1ccccc1 ZINC000112902217 436634644 /nfs/dbraw/zinc/63/46/44/436634644.db2.gz MJTBXSDACFVUTJ-RISCZKNCSA-N 0 0 327.344 0.342 10 0 ECAERN COc1ccc(S(=O)(=O)N[C@H]2CCc3ncnn3C2)cc1F ZINC000113298999 436637312 /nfs/dbraw/zinc/63/73/12/436637312.db2.gz GXEUUTUMVILWHE-VIFPVBQESA-N 0 0 326.353 0.719 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)NCCCN1CCCC1=O)CC2 ZINC000114908033 436644482 /nfs/dbraw/zinc/64/44/82/436644482.db2.gz HMKIVGSFQJMQTH-LBPRGKRZSA-N 0 0 334.424 0.467 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)N(C)CCN1CCOCC1)CC2 ZINC000114975288 436645491 /nfs/dbraw/zinc/64/54/91/436645491.db2.gz XOEDYHHTZOUYHA-CYBMUJFWSA-N 0 0 336.440 0.129 10 0 ECAERN COc1ncccc1NC(=O)C(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000116587649 436650663 /nfs/dbraw/zinc/65/06/63/436650663.db2.gz RREUUIWTPUCHSL-LLVKDONJSA-N 0 0 329.360 0.778 10 0 ECAERN CCOCCN1CCN(C(=O)C(=O)Nc2ccc(C)nc2)C[C@@H]1C ZINC000119412755 436667078 /nfs/dbraw/zinc/66/70/78/436667078.db2.gz BJARJFGSGYMJGJ-AWEZNQCLSA-N 0 0 334.420 0.898 10 0 ECAERN CCS(=O)(=O)c1cccc(C(=O)N2CCO[C@@H](CN(C)C)C2)c1 ZINC000119936304 436675100 /nfs/dbraw/zinc/67/51/00/436675100.db2.gz NBLZHGFEYKLTFU-AWEZNQCLSA-N 0 0 340.445 0.883 10 0 ECAERN CCc1nccn1[C@H]1CCCN(C(=O)NCCNS(C)(=O)=O)C1 ZINC000152104969 436719584 /nfs/dbraw/zinc/71/95/84/436719584.db2.gz IIECNXNXIDQTJE-LBPRGKRZSA-N 0 0 343.453 0.341 10 0 ECAERN CCN(CC)S(=O)(=O)CC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000121776985 436724967 /nfs/dbraw/zinc/72/49/67/436724967.db2.gz RWBSTROAPLZWLY-UKRRQHHQSA-N 0 0 332.466 0.812 10 0 ECAERN CC(=O)NCCCNC(=O)N(C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000152250011 436725012 /nfs/dbraw/zinc/72/50/12/436725012.db2.gz FLOFMDQEDFXVDB-CQSZACIVSA-N 0 0 334.424 0.613 10 0 ECAERN C[C@H]1CN(S(=O)(=O)N2CCC(c3cc[nH]n3)CC2)C[C@H](C)O1 ZINC000122480739 436735588 /nfs/dbraw/zinc/73/55/88/436735588.db2.gz XPDOEGJWWMPLEF-RYUDHWBXSA-N 0 0 328.438 0.943 10 0 ECAERN O=C(NC[C@@H]1CCCS1(=O)=O)N1CCC(c2cc[nH]n2)CC1 ZINC000124605068 436753162 /nfs/dbraw/zinc/75/31/62/436753162.db2.gz KTSSRHYQONPHMC-LBPRGKRZSA-N 0 0 326.422 0.876 10 0 ECAERN C[C@@H]1CN(C(=O)c2cccc3c2oc(=O)n3C)C[C@@H]1N1CCOCC1 ZINC000125079026 436762201 /nfs/dbraw/zinc/76/22/01/436762201.db2.gz IZSQRVJORXMZSZ-DOMZBBRYSA-N 0 0 345.399 0.924 10 0 ECAERN Cc1cc(N(C)C)cc(C)c1NC(=O)C(=O)NC[C@H]1CN(C)CCO1 ZINC000121485505 436718024 /nfs/dbraw/zinc/71/80/24/436718024.db2.gz YECHMEJTVAPOBB-HNNXBMFYSA-N 0 0 348.447 0.755 10 0 ECAERN O=C(Nc1cccc(-n2ccnn2)c1)C(=O)N[C@H]1CCCC[C@H]1CO ZINC000127880348 436808262 /nfs/dbraw/zinc/80/82/62/436808262.db2.gz SXJQSUDTINMSCC-WFASDCNBSA-N 0 0 343.387 0.873 10 0 ECAERN CC[C@@H]1CN(C(=O)C(=O)Nc2cc(C)cc(C)n2)CCN1C[C@H](C)O ZINC000248716290 436808911 /nfs/dbraw/zinc/80/89/11/436808911.db2.gz BLRFBMSBRRJCGD-LSDHHAIUSA-N 0 0 348.447 0.941 10 0 ECAERN C[C@H](NC(=O)C(=O)NCC(=O)N(C)C)c1ccc(F)c(Cl)c1 ZINC000128108836 436811055 /nfs/dbraw/zinc/81/10/55/436811055.db2.gz DWFZEBILSCCRMX-QMMMGPOBSA-N 0 0 329.759 0.861 10 0 ECAERN CCn1cnnc1[C@H]1CCCN(C(=O)Cn2c(C)cc(O)cc2=O)C1 ZINC000128875721 436821034 /nfs/dbraw/zinc/82/10/34/436821034.db2.gz DXIQFRRMKFLQFL-ZDUSSCGKSA-N 0 0 345.403 0.880 10 0 ECAERN C[C@H](O)CN1CCN(C(=O)c2cn(Cc3ccccc3)nn2)C[C@@H]1C ZINC000246704042 436784409 /nfs/dbraw/zinc/78/44/09/436784409.db2.gz KGOJPKZOSVOVLW-GJZGRUSLSA-N 0 0 343.431 0.854 10 0 ECAERN C[C@H](O)CN1CCN(C(=O)C(=O)Nc2ccccc2N(C)C)C[C@H]1C ZINC000246925422 436787097 /nfs/dbraw/zinc/78/70/97/436787097.db2.gz GVKBTQKIWDZQGB-KGLIPLIRSA-N 0 0 348.447 0.605 10 0 ECAERN C[C@H](CNC(=O)c1cccc(C(=O)N2CCCC2)n1)N1CCOCC1 ZINC000154968588 436788245 /nfs/dbraw/zinc/78/82/45/436788245.db2.gz IFHHKBKDVNYYPA-CQSZACIVSA-N 0 0 346.431 0.768 10 0 ECAERN C[C@@H](O)C1CCN(C(=O)C(=O)Nc2cccc(-n3ccnn3)c2)CC1 ZINC000126721913 436791759 /nfs/dbraw/zinc/79/17/59/436791759.db2.gz YNEWRPHWDDDWNX-GFCCVEGCSA-N 0 0 343.387 0.825 10 0 ECAERN C[C@H]1CC[C@@H](C(=O)NCC(=O)Nc2ccc(-n3cncn3)cc2)O1 ZINC000155490307 436795649 /nfs/dbraw/zinc/79/56/49/436795649.db2.gz OJNXPMMVQSXBRC-FZMZJTMJSA-N 0 0 329.360 0.890 10 0 ECAERN C[C@H](NC(=O)N1CCC[C@H]1C(=O)NC1CC1)C(=O)N1CCCCC1 ZINC000158740004 436850231 /nfs/dbraw/zinc/85/02/31/436850231.db2.gz JWDBFYOSYBCBIC-JSGCOSHPSA-N 0 0 336.436 0.840 10 0 ECAERN O=C([C@@H]1CNC(=O)C1)N1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000135506159 436917993 /nfs/dbraw/zinc/91/79/93/436917993.db2.gz RVKYICNXXOXHIE-LBPRGKRZSA-N 0 0 333.392 0.117 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)[C@@H](NC(=O)COC)C(C)C)CC2 ZINC000133689642 436883760 /nfs/dbraw/zinc/88/37/60/436883760.db2.gz ITVFAGABOGEYMJ-NHYWBVRUSA-N 0 0 337.424 0.059 10 0 ECAERN CC(C)CS(=O)(=O)CC(=O)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000133787801 436884655 /nfs/dbraw/zinc/88/46/55/436884655.db2.gz SCRRRCCFOSEIEX-LBPRGKRZSA-N 0 0 342.465 0.903 10 0 ECAERN CCC(=O)N1CC[C@@H](C(=O)N2CCO[C@H](Cn3cc(C)cn3)C2)C1 ZINC000161920806 436897911 /nfs/dbraw/zinc/89/79/11/436897911.db2.gz MGMPKFZVGAMVSX-CABCVRRESA-N 0 0 334.420 0.677 10 0 ECAERN O=C(N[C@@H]1CCc2ncnn2C1)N1CCCN(CC(F)F)CC1 ZINC000162424885 436905700 /nfs/dbraw/zinc/90/57/00/436905700.db2.gz WJIDJESBECNTQZ-LLVKDONJSA-N 0 0 328.367 0.575 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NS(=O)(=O)c2ccc(C)nc2)C1 ZINC000263490787 436968700 /nfs/dbraw/zinc/96/87/00/436968700.db2.gz ORPMPKJPADGFHF-UHFFFAOYSA-N 0 0 327.406 0.606 10 0 ECAERN Cc1ccc(CCC(=O)NCC(=O)NC[C@@H]2CN(C)CCO2)cc1 ZINC000171286580 436975605 /nfs/dbraw/zinc/97/56/05/436975605.db2.gz ITSZWWMUDAVQNH-MRXNPFEDSA-N 0 0 333.432 0.491 10 0 ECAERN Cc1cc2c[nH]nc2c(C(=O)N2CCO[C@H](C[N@@H+](C)CC(=O)[O-])C2)c1 ZINC000262961137 436945816 /nfs/dbraw/zinc/94/58/16/436945816.db2.gz QEAUOYNXUBRHJY-CYBMUJFWSA-N 0 0 346.387 0.729 10 0 ECAERN Cc1ccc(N2CCCN(C(=O)[C@H]3CC(F)(F)CN3)CC2)nn1 ZINC000263107532 436952575 /nfs/dbraw/zinc/95/25/75/436952575.db2.gz ACIDKLDPRHPPSM-GFCCVEGCSA-N 0 0 325.363 0.821 10 0 ECAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)NCCNC(=O)C1CC1)CC2 ZINC000172519111 437017901 /nfs/dbraw/zinc/01/79/01/437017901.db2.gz CGWOOKJTJIEXOA-GFCCVEGCSA-N 0 0 334.424 0.542 10 0 ECAERN Cc1oncc1C(=O)N1C[C@@H](NS(C)(=O)=O)[C@H]2OCCC[C@H]2C1 ZINC000096092237 302878628 /nfs/dbraw/zinc/87/86/28/302878628.db2.gz SUYDRUQSVOWNPG-UHTWSYAYSA-N 0 0 343.405 0.152 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)CCCCN1CCOCC1)CC2 ZINC000172258690 437005555 /nfs/dbraw/zinc/00/55/55/437005555.db2.gz UGZLBWQDBXGFAO-CQSZACIVSA-N 0 0 335.452 0.774 10 0 ECAERN CNc1cc(N2CCC[C@@H]2CNC(=O)N2CCC[C@@H]2CO)ncn1 ZINC000173425180 437050701 /nfs/dbraw/zinc/05/07/01/437050701.db2.gz CAFFUOCMPFCZMN-CHWSQXEVSA-N 0 0 334.424 0.653 10 0 ECAERN Cc1nnc([C@H]2CN(C(=O)CCNC(=O)c3cccs3)CCO2)[nH]1 ZINC000173551873 437057165 /nfs/dbraw/zinc/05/71/65/437057165.db2.gz BYBVMQVLBNZZIK-LLVKDONJSA-N 0 0 349.416 0.895 10 0 ECAERN Cc1nnc([C@H]2CN(C(=O)CNC(=O)Cc3ccccc3)CCO2)[nH]1 ZINC000173601521 437057550 /nfs/dbraw/zinc/05/75/50/437057550.db2.gz KVCWIZUYRDEVLY-CQSZACIVSA-N 0 0 343.387 0.372 10 0 ECAERN CCc1nnc([C@H]2CN(C(=O)CNC(=O)c3ccccc3)CCO2)[nH]1 ZINC000173611622 437058691 /nfs/dbraw/zinc/05/86/91/437058691.db2.gz ZOWKKVOIVJMEGL-CYBMUJFWSA-N 0 0 343.387 0.697 10 0 ECAERN CC(=O)NCCCCCC(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000173802974 437064455 /nfs/dbraw/zinc/06/44/55/437064455.db2.gz ZUTWHFNTEZOFCR-GDBMZVCRSA-N 0 0 325.453 0.862 10 0 ECAERN CCCCCS(=O)(=O)CC(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000173821303 437065489 /nfs/dbraw/zinc/06/54/89/437065489.db2.gz SHKNWVVKDOCRMZ-GJZGRUSLSA-N 0 0 346.493 0.771 10 0 ECAERN Cn1ccnc1[C@H]1CNCCN1C(=O)c1cccc2c1OCC(=O)N2 ZINC000261799675 303009462 /nfs/dbraw/zinc/00/94/62/303009462.db2.gz VLEZFIFBHKAIJI-CYBMUJFWSA-N 0 0 341.371 0.538 10 0 ECAERN CN1CCC(=O)Nc2cc(C(=O)N[C@@H]3CCc4ncnn4C3)ccc21 ZINC000174815885 437088056 /nfs/dbraw/zinc/08/80/56/437088056.db2.gz CXUFUPMBRPZVHY-GFCCVEGCSA-N 0 0 340.387 0.801 10 0 ECAERN COCCCS(=O)(=O)NCCN1CCC[C@H]1c1cnn(C)c1 ZINC000175175473 437097052 /nfs/dbraw/zinc/09/70/52/437097052.db2.gz HCQUVBCWELCLGX-AWEZNQCLSA-N 0 0 330.454 0.513 10 0 ECAERN CCc1csc([C@H]2CCCN(C(=O)CS(=O)(=O)NC)C2)n1 ZINC000175211751 437097799 /nfs/dbraw/zinc/09/77/99/437097799.db2.gz SSSADUIVIIMWNW-JTQLQIEISA-N 0 0 331.463 0.961 10 0 ECAERN CC(C)OCCS(=O)(=O)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000175116704 437098004 /nfs/dbraw/zinc/09/80/04/437098004.db2.gz BHWOABAUKKOTLT-UHFFFAOYSA-N 0 0 344.481 0.683 10 0 ECAERN Cc1cccn(CC(=O)N2C[C@@H](C(N)=O)[C@H](C(F)(F)F)C2)c1=O ZINC000299745611 437111130 /nfs/dbraw/zinc/11/11/30/437111130.db2.gz RJZCBFCMSFENBG-NXEZZACHSA-N 0 0 331.294 0.279 10 0 ECAERN COC[C@@H](C)CNC(=O)N[C@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000176405245 437142874 /nfs/dbraw/zinc/14/28/74/437142874.db2.gz ZTIAPZBMJSBULH-AAEUAGOBSA-N 0 0 337.424 0.806 10 0 ECAERN Cc1ccc([C@H](CNC(=O)c2ccc(=O)[nH]n2)N2CCOCC2)s1 ZINC000176572422 437149067 /nfs/dbraw/zinc/14/90/67/437149067.db2.gz PAXHHWBFQCSGAQ-ZDUSSCGKSA-N 0 0 348.428 0.943 10 0 ECAERN Cc1nn(C)c(Cl)c1S(=O)(=O)N[C@H]1CCCn2ncnc21 ZINC000176749178 437155314 /nfs/dbraw/zinc/15/53/14/437155314.db2.gz GUUZAQVRTJZGFQ-QMMMGPOBSA-N 0 0 330.801 0.787 10 0 ECAERN Cc1cc(N2CCC[C@H](NC(=O)NC[C@H]3CCCOC3)C2=O)n(C)n1 ZINC000175749463 437115458 /nfs/dbraw/zinc/11/54/58/437115458.db2.gz BQXDGDMMEZNFRF-KGLIPLIRSA-N 0 0 349.435 0.950 10 0 ECAERN O=C1CCC(=O)N1CCN1CCN(c2ccc3nccnc3n2)CC1 ZINC000301241331 437118292 /nfs/dbraw/zinc/11/82/92/437118292.db2.gz OIFMEOMXKJDWRF-UHFFFAOYSA-N 0 0 340.387 0.296 10 0 ECAERN C[C@@H]1CN(C(=O)NCC[S@@](=O)C(C)(C)C)C[C@@H]1N1CCOCC1 ZINC000175791409 437118652 /nfs/dbraw/zinc/11/86/52/437118652.db2.gz QSPJWTJYUWVEHJ-XMQCVEROSA-N 0 0 345.509 0.896 10 0 ECAERN CN(C)c1ncccc1N(C)S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000175869966 437121756 /nfs/dbraw/zinc/12/17/56/437121756.db2.gz YVCHOPDTKMAGRI-UHFFFAOYSA-N 0 0 337.405 0.410 10 0 ECAERN CNC(=O)CN1CCC(NC(=O)N[C@H]2CCCC[C@H]2CO)CC1 ZINC000175950878 437124584 /nfs/dbraw/zinc/12/45/84/437124584.db2.gz FDTPPDFUJMVJJV-JSGCOSHPSA-N 0 0 326.441 0.047 10 0 ECAERN NC(=O)c1cncc(N2CCN(Cc3ccc(Cl)cn3)CC2)n1 ZINC000302186336 437140431 /nfs/dbraw/zinc/14/04/31/437140431.db2.gz UGBLPVRQQOLCIO-UHFFFAOYSA-N 0 0 332.795 0.946 10 0 ECAERN Cc1nccn1C[C@@H]1CCCN1C(=O)Cc1nc2ncccn2n1 ZINC000177184555 437174006 /nfs/dbraw/zinc/17/40/06/437174006.db2.gz WJMWYYMGNOVIJO-ZDUSSCGKSA-N 0 0 325.376 0.863 10 0 ECAERN O=C(NCCNC(=O)c1ccccc1F)N[C@H]1CCCn2ncnc21 ZINC000177364884 437182305 /nfs/dbraw/zinc/18/23/05/437182305.db2.gz COSGPKOXDIXWBR-ZDUSSCGKSA-N 0 0 346.366 0.981 10 0 ECAERN CCN(CCCNC(=O)N(C)C[C@@H]1CCC[N@@H+]1CC)S(C)(=O)=O ZINC000177421407 437184086 /nfs/dbraw/zinc/18/40/86/437184086.db2.gz NTMJJCGNLFCNAT-AWEZNQCLSA-N 0 0 348.513 0.784 10 0 ECAERN O=C(Nc1ccc(-n2nccn2)cc1)C(=O)N[C@H]1CCCC[C@H]1CO ZINC000177549904 437189909 /nfs/dbraw/zinc/18/99/09/437189909.db2.gz UXMZVVAPCXXZJZ-WFASDCNBSA-N 0 0 343.387 0.873 10 0 ECAERN O=C(Nc1ccc(-n2cccn2)nc1)C(=O)N[C@@H]1CCCC[C@@H]1CO ZINC000177554773 437190631 /nfs/dbraw/zinc/19/06/31/437190631.db2.gz TYOVVLDSEWXAFD-TZMCWYRMSA-N 0 0 343.387 0.873 10 0 ECAERN CCCN(CC(=O)OC)C[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000265952971 437213854 /nfs/dbraw/zinc/21/38/54/437213854.db2.gz VALXEOZGVLCUKE-LBPRGKRZSA-N 0 0 334.372 0.529 10 0 ECAERN CCOc1cc(N2C[C@@H](O)[C@@H](N(C)Cc3nnc(C)o3)C2)ncn1 ZINC000328626225 437241370 /nfs/dbraw/zinc/24/13/70/437241370.db2.gz DWVOJBFJYSMGBI-NWDGAFQWSA-N 0 0 334.380 0.248 10 0 ECAERN O=C(Cn1ccnn1)N1CC[C@H](Oc2cccnc2N2CCCC2)C1 ZINC000328619894 437241451 /nfs/dbraw/zinc/24/14/51/437241451.db2.gz GJGFFJATYFMDSO-AWEZNQCLSA-N 0 0 342.403 0.953 10 0 ECAERN C[C@@H]1OCC[C@@H]1NC(=O)[C@H]1CC[C@@H](C(=O)N[C@H]2CCO[C@H]2C)O1 ZINC000332996281 437257072 /nfs/dbraw/zinc/25/70/72/437257072.db2.gz DQFNLHHJWQTLFU-LQSBQDLSSA-N 0 0 326.393 0.121 10 0 ECAERN CCc1nnc([C@@H]2CN(C(=O)C(=O)Nc3ccsc3)CCO2)[nH]1 ZINC000180240884 437282879 /nfs/dbraw/zinc/28/28/79/437282879.db2.gz UCSVELNWQJIYPK-JTQLQIEISA-N 0 0 335.389 0.967 10 0 ECAERN COC(=O)CN(CCc1ccccc1)C[C@@H](O)CN1CCCC1=O ZINC000180560265 437293715 /nfs/dbraw/zinc/29/37/15/437293715.db2.gz NGBKTQJXUXAWLO-MRXNPFEDSA-N 0 0 334.416 0.687 10 0 ECAERN CC1([C@H]2CCCN(C(=O)N[C@@H]3CCc4ncnn4C3)C2)OCCO1 ZINC000181800004 437331265 /nfs/dbraw/zinc/33/12/65/437331265.db2.gz QDBQLUNDZDMEST-QWHCGFSZSA-N 0 0 335.408 0.778 10 0 ECAERN COCC(=O)NC1CN(C(=O)COc2ccc(F)cc2Cl)C1 ZINC000185246583 437431826 /nfs/dbraw/zinc/43/18/26/437431826.db2.gz OYDHNEPDCYGZTN-UHFFFAOYSA-N 0 0 330.743 0.831 10 0 ECAERN COCC(=O)NC1CN(C[C@H](O)COCc2ccccc2Cl)C1 ZINC000185092398 437423982 /nfs/dbraw/zinc/42/39/82/437423982.db2.gz PNLZNMLUUPBOST-AWEZNQCLSA-N 0 0 342.823 0.664 10 0 ECAERN CCc1noc([C@@H](C)N2CCN(Cc3nc(N(C)C)no3)CC2)n1 ZINC000185258868 437432242 /nfs/dbraw/zinc/43/22/42/437432242.db2.gz JVBDWZNWAYADQH-LLVKDONJSA-N 0 0 335.412 0.960 10 0 ECAERN COCC(=O)NC1CN(C(=O)NCCc2cc(F)cc(F)c2)C1 ZINC000185307209 437435033 /nfs/dbraw/zinc/43/50/33/437435033.db2.gz BVTWEABBIVUTQH-UHFFFAOYSA-N 0 0 327.331 0.664 10 0 ECAERN C[C@H](CNC(=O)C(=O)N1CCc2c1cccc2F)N1CCOCC1 ZINC000185495764 437441035 /nfs/dbraw/zinc/44/10/35/437441035.db2.gz ZZEBUCSHBFAIMD-GFCCVEGCSA-N 0 0 335.379 0.552 10 0 ECAERN CCS(=O)(=O)c1cccc(CC(=O)N[C@@H](C(=O)NC)C(C)C)c1 ZINC000185969131 437458332 /nfs/dbraw/zinc/45/83/32/437458332.db2.gz NHMJGKCGWZENQY-OAHLLOKOSA-N 0 0 340.445 0.910 10 0 ECAERN CCOC(=O)c1nn(C)cc1CN1CCO[C@H](c2nnc(CC)[nH]2)C1 ZINC000186152547 437462886 /nfs/dbraw/zinc/46/28/86/437462886.db2.gz WSMDZOINWCXMDO-LBPRGKRZSA-N 0 0 348.407 0.851 10 0 ECAERN CO[C@@H](C)[C@H](C)NC(=O)N[C@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000188808825 437573187 /nfs/dbraw/zinc/57/31/87/437573187.db2.gz AMAKOAZHNJTREL-AVGNSLFASA-N 0 0 337.424 0.947 10 0 ECAERN COc1ccc(Cn2cc(C(=O)N3CC(NC(C)=O)C3)cn2)cc1 ZINC000190517641 437628165 /nfs/dbraw/zinc/62/81/65/437628165.db2.gz FBYFVARLVJHZIZ-UHFFFAOYSA-N 0 0 328.372 0.901 10 0 ECAERN CO[C@H]1C[C@H](C(=O)NC[C@@]2(C)CCCC[C@@H]2O)N(S(C)(=O)=O)C1 ZINC000365135820 437862059 /nfs/dbraw/zinc/86/20/59/437862059.db2.gz TURPYIUBMMFFPO-SFDCQRBFSA-N 0 0 348.465 0.093 10 0 ECAERN CC(=O)N1CCOC[C@@H]1C(=O)Nc1ccc(N2CCOCC2)nc1C ZINC000367036633 438158832 /nfs/dbraw/zinc/15/88/32/438158832.db2.gz HWANPMWPFOEDTG-OAHLLOKOSA-N 0 0 348.403 0.412 10 0 ECAERN COC(=O)CCN(C)S(=O)(=O)N[C@@H](C)COCc1ccccc1 ZINC000390461082 438432748 /nfs/dbraw/zinc/43/27/48/438432748.db2.gz FUFOTIDETIOPDZ-ZDUSSCGKSA-N 0 0 344.433 0.921 10 0 ECAERN CC(C)[C@H](NC(=O)NC(C)(C)C)C(=O)N1C[C@H]2OCCN(C)[C@H]2C1 ZINC000352190340 438397651 /nfs/dbraw/zinc/39/76/51/438397651.db2.gz MVMKUFUZJIGVKO-MJBXVCDLSA-N 0 0 340.468 0.650 10 0 ECAERN CC1(C)O[C@@H]2[C@@H]([C@H](O)[C@@H](O)CO)O[C@H](OCc3ccccc3)[C@H]2O1 ZINC000575173217 438740933 /nfs/dbraw/zinc/74/09/33/438740933.db2.gz QYCQBMVUWJKAQL-OLZWRCARSA-N 0 0 340.372 0.162 10 0 ECAERN CN1C[C@H](CNc2ncc(I)cn2)CC1=O ZINC000596491625 438968822 /nfs/dbraw/zinc/96/88/22/438968822.db2.gz RXPDAIASZVASEW-ZETCQYMHSA-N 0 0 332.145 0.971 10 0 ECAERN CSCC[C@H](O)C(=O)N1CC[C@H](Nc2ccc3nccn3n2)C1 ZINC000580801606 439131481 /nfs/dbraw/zinc/13/14/81/439131481.db2.gz QGLGEUIXVVUEMJ-RYUDHWBXSA-N 0 0 335.433 0.856 10 0 ECAERN Cn1cc(CCC(=O)N[C@@H]2CC(=O)N(C)[C@H]2c2cccnc2)cn1 ZINC000583619529 439487773 /nfs/dbraw/zinc/48/77/73/439487773.db2.gz FVXBNHZHVNQHTH-PBHICJAKSA-N 0 0 327.388 0.836 10 0 ECAERN NS(=O)(=O)c1cncc(-c2ccc(CO)cc2)c1-c1nn[nH]n1 ZINC000584633707 439604744 /nfs/dbraw/zinc/60/47/44/439604744.db2.gz IPEWPEWBTFTKFI-UHFFFAOYSA-N 0 0 332.345 0.068 10 0 ECAERN NS(=O)(=O)c1cccc(-c2cccc(CO)c2)c1-c1nn[nH]n1 ZINC000584611745 439605468 /nfs/dbraw/zinc/60/54/68/439605468.db2.gz SITFMMVYUQHJIT-UHFFFAOYSA-N 0 0 331.357 0.673 10 0 ECAERN CC1(C)C[C@H](NC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)c2ccccc2O1 ZINC000612400589 439701007 /nfs/dbraw/zinc/70/10/07/439701007.db2.gz OROMZHCTFOSCDU-DSJMHWKBSA-N 0 0 333.384 0.818 10 0 ECAERN CCOC(=O)c1ccccc1[C@H]1COCCN(S(N)(=O)=O)C1 ZINC000616594845 439820603 /nfs/dbraw/zinc/82/06/03/439820603.db2.gz RJDUGYCGYROCEW-LLVKDONJSA-N 0 0 328.390 0.483 10 0 ECAERN CCN1CCO[C@@H](CNc2nccn3cnnc23)[C@@H]1c1cnn(C)c1 ZINC000664313063 440286614 /nfs/dbraw/zinc/28/66/14/440286614.db2.gz PDQMXBNTUQPVHO-KBPBESRZSA-N 0 0 342.407 0.732 10 0 ECAERN CNC(=O)C[C@H]1CS(=O)(=O)CCN1C(=O)c1oc(C)cc1C ZINC000644173151 440461392 /nfs/dbraw/zinc/46/13/92/440461392.db2.gz WLOSYNFWZDNHIV-NSHDSACASA-N 0 0 328.390 0.272 10 0 ECAERN CCn1cc(O[C@@H]2CN(C(=O)CCc3ccccn3)C[C@H]2O)cn1 ZINC000628246146 440438563 /nfs/dbraw/zinc/43/85/63/440438563.db2.gz BMPCTAPKNHDZAY-HZPDHXFCSA-N 0 0 330.388 0.881 10 0 ECAERN CN(C[C@H]1CN(C)CCO1)C(=O)c1c(Br)cnn1C ZINC000633918503 440574149 /nfs/dbraw/zinc/57/41/49/440574149.db2.gz SSFYALZKIUTKNC-SECBINFHSA-N 0 0 331.214 0.585 10 0 ECAERN Cc1cc(C)n(C[C@@H]2CN(S(=O)(=O)N3CCC[C@H]3C)CCO2)n1 ZINC000248732812 320543332 /nfs/dbraw/zinc/54/33/32/320543332.db2.gz QHBXHSGFGPXWBI-HIFRSBDPSA-N 0 0 342.465 0.930 10 0 ECAERN CCn1ccnc(N2CCC[C@@](O)(c3cn(C(C)C)nn3)C2)c1=O ZINC000284715936 320633139 /nfs/dbraw/zinc/63/31/39/320633139.db2.gz ZWTKWJLDXHWUQE-INIZCTEOSA-N 0 0 332.408 0.924 10 0 ECAERN O=C(Cn1ncc(=O)c2ccccc21)N1CCO[C@H](C(=O)C2CC2)C1 ZINC000328696259 320727798 /nfs/dbraw/zinc/72/77/98/320727798.db2.gz UDGJOHZNXIHKMD-INIZCTEOSA-N 0 0 341.367 0.603 10 0 ECAERN CN(C(=O)N1CCC[C@@](O)(C(=O)N2CCCC2)C1)C1CCOCC1 ZINC000328895914 320739647 /nfs/dbraw/zinc/73/96/47/320739647.db2.gz BSALXGISAQQAGF-KRWDZBQOSA-N 0 0 339.436 0.667 10 0 ECAERN CC[C@H]1CN(C(=O)c2cnn3ccncc23)C[C@H]1N1CCOCC1 ZINC000329298581 320765179 /nfs/dbraw/zinc/76/51/79/320765179.db2.gz URNANLQCOPLIDE-XJKSGUPXSA-N 0 0 329.404 0.912 10 0 ECAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)[C@@H](C)N3CCOCC3)CCO2)n1 ZINC000329393557 320769619 /nfs/dbraw/zinc/76/96/19/320769619.db2.gz WGHOMNSZXADDOL-CVEARBPZSA-N 0 0 336.436 0.448 10 0 ECAERN C[C@H]1CCN(S(=O)(=O)c2ccccc2Cn2cncn2)C[C@@H]1O ZINC000329691756 320785342 /nfs/dbraw/zinc/78/53/42/320785342.db2.gz BXTDJWLQWUWHGT-JSGCOSHPSA-N 0 0 336.417 0.718 10 0 ECAERN Cn1nncc1S(=O)(=O)N(C[C@H]1CCCO1)[C@H]1CCSC1 ZINC000330054050 320802121 /nfs/dbraw/zinc/80/21/21/320802121.db2.gz RJDJQOUIQJQIEG-WDEREUQCSA-N 0 0 332.451 0.490 10 0 ECAERN COCCn1cc2c(n1)[C@@H](NS(=O)(=O)c1cnnn1C)CCC2 ZINC000330124975 320805994 /nfs/dbraw/zinc/80/59/94/320805994.db2.gz CNPWAIYXXAPYAV-NSHDSACASA-N 0 0 340.409 0.014 10 0 ECAERN CO[C@H]1CN(C(=O)CSCC(=O)N2CCCCC2)C[C@@H]1OC ZINC000330180255 320809306 /nfs/dbraw/zinc/80/93/06/320809306.db2.gz FWIFAILNJCLVDM-STQMWFEESA-N 0 0 330.450 0.604 10 0 ECAERN C[C@]1(C(N)=O)CCCCN1S(=O)(=O)c1ccc2c(c1)OCO2 ZINC000368292748 321720830 /nfs/dbraw/zinc/72/08/30/321720830.db2.gz FDYSQNBXEAIEDK-CQSZACIVSA-N 0 0 326.374 0.834 10 0 ECAERN CC(=O)N[C@@]1(c2nc(C)cs2)CCN(c2cncc(C(N)=O)n2)C1 ZINC000548006576 322145885 /nfs/dbraw/zinc/14/58/85/322145885.db2.gz NFBTVAJMUURBJR-HNNXBMFYSA-N 0 0 346.416 0.582 10 0 ECAERN Cc1cc(C)n(CC(=O)N[C@H]2CCCN(c3cc(C)nn3C)C2=O)n1 ZINC000175008806 534105772 /nfs/dbraw/zinc/10/57/72/534105772.db2.gz VSPIFCYEGHVWDP-AWEZNQCLSA-N 0 0 344.419 0.854 10 0 ECAERN C[C@@H]1CN(C(=O)c2ccc(CNC(N)=O)cc2)C[C@H]1N1CCOCC1 ZINC000173812265 534415255 /nfs/dbraw/zinc/41/52/55/534415255.db2.gz BFJQJNRZCLYAQE-CZUORRHYSA-N 0 0 346.431 0.648 10 0 ECAERN C[C@@H]1CN(C(=O)c2ccc(CNC(N)=O)cc2)C[C@@H]1N1CCOCC1 ZINC000173812244 534415686 /nfs/dbraw/zinc/41/56/86/534415686.db2.gz BFJQJNRZCLYAQE-CJNGLKHVSA-N 0 0 346.431 0.648 10 0 ECAERN C[C@@H]1CN(C(=O)c2ccc(N3CCCC3)nn2)C[C@@H]1N1CCOCC1 ZINC000173878529 534419854 /nfs/dbraw/zinc/41/98/54/534419854.db2.gz WEYHHXNSYRBLAW-ZBFHGGJFSA-N 0 0 345.447 0.870 10 0 ECAERN CC(=O)NC1CN(C(=O)NCCCC(=O)N2Cc3ccccc3C2)C1 ZINC000190073796 526706789 /nfs/dbraw/zinc/70/67/89/526706789.db2.gz BDTGIUVLINFGRW-UHFFFAOYSA-N 0 0 344.415 0.839 10 0 ECAERN CCNC(=O)c1ccc(CNC(=O)N2CCC[C@H]2C(=O)NC)cc1 ZINC000155662214 528239151 /nfs/dbraw/zinc/23/91/51/528239151.db2.gz OZUFZPZVQGIAGJ-AWEZNQCLSA-N 0 0 332.404 0.856 10 0 ECAERN CCOc1cc(C)nc(N2CCN(C(=O)c3ccnnc3)CC2)n1 ZINC000131531452 528255567 /nfs/dbraw/zinc/25/55/67/528255567.db2.gz AEOJZCQQYJRFOR-UHFFFAOYSA-N 0 0 328.376 0.936 10 0 ECAERN CCCn1cc(CN2CCCN(C(=O)C(=O)NCC3CC3)CC2)cn1 ZINC000191830938 528842479 /nfs/dbraw/zinc/84/24/79/528842479.db2.gz ZNFZDWWQLMQJCX-UHFFFAOYSA-N 0 0 347.463 0.854 10 0 ECAERN O=C(NC[C@@H](O)CN1CCOCC1)c1ccc(OCC2CC2)cc1 ZINC000097374796 545731326 /nfs/dbraw/zinc/73/13/26/545731326.db2.gz CRQICZGTIQTXOM-MRXNPFEDSA-N 0 0 334.416 0.898 10 0 ECAERN O=C(Cc1c[nH]c2ccc(F)cc12)NC[C@@H](O)CN1CCOCC1 ZINC000128124052 545778770 /nfs/dbraw/zinc/77/87/70/545778770.db2.gz ZLFDWFZHQIZXBF-CQSZACIVSA-N 0 0 335.379 0.659 10 0 ECAERN CCc1c(C(=O)NC[C@@H](O)CN2CCOCC2)cnn1CC(C)C ZINC000132679417 545792597 /nfs/dbraw/zinc/79/25/97/545792597.db2.gz QPNQIFJCFCXUBI-CQSZACIVSA-N 0 0 338.452 0.524 10 0 ECAERN Cc1ccc(C(=O)N[C@H]2CCCC[C@H]2CO)cc1S(N)(=O)=O ZINC000179236567 545881224 /nfs/dbraw/zinc/88/12/24/545881224.db2.gz OOSHNZBKCSYFSV-STQMWFEESA-N 0 0 326.418 0.923 10 0 ECAERN Cc1ccc(S(N)(=O)=O)cc1C(=O)N[C@@H]1CCCC[C@H]1CO ZINC000179252116 545881239 /nfs/dbraw/zinc/88/12/39/545881239.db2.gz ZOFLLPOQGBCQIY-SMDDNHRTSA-N 0 0 326.418 0.923 10 0 ECAERN Cc1c(NC(=O)C(=O)NC[C@@H](C)N2CCOCC2)cccc1N(C)C ZINC000180406566 545884961 /nfs/dbraw/zinc/88/49/61/545884961.db2.gz PVOLFJWAJQUMOY-CYBMUJFWSA-N 0 0 348.447 0.836 10 0 ECAERN CNC(=O)[C@H](NCc1nnc2n1c1ccsc1c(=O)n2C)C(C)C ZINC000183682312 545892983 /nfs/dbraw/zinc/89/29/83/545892983.db2.gz WOLWAENZHOMTPE-LLVKDONJSA-N 0 0 348.432 0.503 10 0 ECAERN COCC(=O)NC1CN(C(=O)c2cnn(-c3ccccn3)c2C)C1 ZINC000185261386 545895857 /nfs/dbraw/zinc/89/58/57/545895857.db2.gz ONFLTFSXPBXWEA-UHFFFAOYSA-N 0 0 329.360 0.163 10 0 ECAERN Cc1ccccc1C(=O)N[C@H](C(=O)N1CC[C@H](CO)[C@H](O)C1)C(C)C ZINC000191984573 545909519 /nfs/dbraw/zinc/90/95/19/545909519.db2.gz MZCIHZWQENQMOE-OIISXLGYSA-N 0 0 348.443 0.951 10 0 ECAERN CNC(=O)[C@H](NC(=O)C(=O)Nc1cc(C(F)(F)F)ccn1)C(C)C ZINC000193599482 545912312 /nfs/dbraw/zinc/91/23/12/545912312.db2.gz HGFHJDBZXQNWHC-SNVBAGLBSA-N 0 0 346.309 0.926 10 0 ECAERN C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1cnc(C2CC2)nc1 ZINC000249176614 545944343 /nfs/dbraw/zinc/94/43/43/545944343.db2.gz MFVWYULBWVHLHK-RISCZKNCSA-N 0 0 329.404 0.988 10 0 ECAERN Cn1cc(O[C@@H]2CN(c3cc(NCC4CC4)ncn3)C[C@H]2O)cn1 ZINC000624422796 546923530 /nfs/dbraw/zinc/92/35/30/546923530.db2.gz IFVOZTSJFOONHT-ZIAGYGMSSA-N 0 0 330.392 0.661 10 0 ECAERN O[C@]1(Cn2ccnn2)CCN(Cc2nc(-c3ccccc3)no2)C1 ZINC000671553197 548182083 /nfs/dbraw/zinc/18/20/83/548182083.db2.gz KSRUMPQPGKGBPQ-MRXNPFEDSA-N 0 0 326.360 0.965 10 0 ECAERN Cc1noc(C[C@@]2(O)CCCN(Cc3cnc4cnccn34)C2)n1 ZINC000888076258 586245428 /nfs/dbraw/zinc/24/54/28/586245428.db2.gz QDXWKOBILVGXDD-INIZCTEOSA-N 0 0 328.376 0.990 10 0 ECAERN Cn1cnnc1C[C@@]1(O)CCCN(CC(=O)NCc2ccccc2)C1 ZINC000888076974 586245840 /nfs/dbraw/zinc/24/58/40/586245840.db2.gz ALQAWHNWBSCDHA-SFHVURJKSA-N 0 0 343.431 0.501 10 0 ECAERN CCc1nn(C)c(CC)c1CC(=O)N[C@H]1C[C@@H](O)[C@@H]1n1cccn1 ZINC000888079302 586246958 /nfs/dbraw/zinc/24/69/58/586246958.db2.gz VDSLAIPHDNDNSR-YSVLISHTSA-N 0 0 331.420 0.775 10 0 ECAERN CC(=O)NC1CN(C(=O)c2c(C)[nH]nc2I)C1 ZINC000897521266 586338124 /nfs/dbraw/zinc/33/81/24/586338124.db2.gz IYHDIUHEWHIONT-UHFFFAOYSA-N 0 0 348.144 0.283 10 0 ECAERN Cc1noc([C@H]2COCCN2C2CN(C(=O)c3ccn(C)c3)C2)n1 ZINC000888094766 586349031 /nfs/dbraw/zinc/34/90/31/586349031.db2.gz CIGRTCIXDBXZKE-CQSZACIVSA-N 0 0 331.376 0.614 10 0 ECAERN COc1cncc(S(=O)(=O)N[C@@H]2C[C@@H](O)C23CCOCC3)c1 ZINC000888098220 586350043 /nfs/dbraw/zinc/35/00/43/586350043.db2.gz BXJWOFCZHGEOBR-CHWSQXEVSA-N 0 0 328.390 0.299 10 0 ECAERN CCN1C(=O)CC[C@H](CNS(=O)(=O)C2CC2)[C@H]1c1cnn(C)c1 ZINC000888102948 586350776 /nfs/dbraw/zinc/35/07/76/586350776.db2.gz WKLLBDVMQAFSIL-ABAIWWIYSA-N 0 0 340.449 0.802 10 0 ECAERN CCn1nc(C)c(CNC[C@@H]2OCCN(CC)[C@H]2c2ccnn2C)n1 ZINC000888102961 586350784 /nfs/dbraw/zinc/35/07/84/586350784.db2.gz WUZIVZACYMEXEU-IRXDYDNUSA-N 0 0 347.467 0.892 10 0 ECAERN CCN1CCO[C@@H](CNC(=O)c2ncc(C)o2)[C@@H]1c1ccnn1C ZINC000888102849 586350821 /nfs/dbraw/zinc/35/08/21/586350821.db2.gz QQNXXNIVZCSZFS-KBPBESRZSA-N 0 0 333.392 0.908 10 0 ECAERN CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(C(=O)CCn2ncn(C)c2=O)C1 ZINC000888103214 586350836 /nfs/dbraw/zinc/35/08/36/586350836.db2.gz QDHVHOFLJYOTCS-OLZOCXBDSA-N 0 0 348.407 0.300 10 0 ECAERN CNC(=O)[C@]1(COC)CCCN1Cc1cnn(-c2ccccc2)n1 ZINC000818188307 587411865 /nfs/dbraw/zinc/41/18/65/587411865.db2.gz MPYSXSJDUSJNGU-QGZVFWFLSA-N 0 0 329.404 0.994 10 0 ECAERN COCc1nn(CN2CCO[C@@H](c3nc(C)cs3)C2)c(=O)o1 ZINC000119613658 590033425 /nfs/dbraw/zinc/03/34/25/590033425.db2.gz JSTSYEFCNGZDRR-SNVBAGLBSA-N 0 0 326.378 0.779 10 0 ECAERN CN(C)c1nc([C@H]2CCN(C(=O)CCc3cncn3C)C2)cc(=O)[nH]1 ZINC000864837986 590109436 /nfs/dbraw/zinc/10/94/36/590109436.db2.gz SOQSGWUNXJOVCG-LBPRGKRZSA-N 0 0 344.419 0.930 10 0 ECAERN O=C(C[C@H]1CS(=O)(=O)CCN1)NCCc1cccc(Cl)c1 ZINC000126668406 590477750 /nfs/dbraw/zinc/47/77/50/590477750.db2.gz VEIAFKDQAOOXLN-ZDUSSCGKSA-N 0 0 330.837 0.775 10 0 ECAERN Cc1c([C@@H]2[C@@H](C(=O)N3CC(=O)N(C)C3)CC(=O)N2C2CC2)cnn1C ZINC000886031035 590787626 /nfs/dbraw/zinc/78/76/26/590787626.db2.gz COLFKEAFSKHWJE-LRDDRELGSA-N 0 0 345.403 0.039 10 0 ECAERN CCN1C(=O)C[C@@H](CNC(=O)c2cnc(C)cn2)[C@@H]1c1nccn1C ZINC000886062840 590788571 /nfs/dbraw/zinc/78/85/71/590788571.db2.gz RVSAHXXGOACLIA-SWLSCSKDSA-N 0 0 342.403 0.858 10 0 ECAERN CCN(Cc1nnc(C)o1)[C@@H]1CN(C(=O)/C=C\c2ccc[nH]2)C[C@H]1O ZINC000886046165 590789224 /nfs/dbraw/zinc/78/92/24/590789224.db2.gz NRKFEMUKOKRSQK-YOVCOIKASA-N 0 0 345.403 0.813 10 0 ECAERN CO[C@@H]1CN(C(=O)Cn2cc3ccccc3n2)C[C@H]1c1cn(C)nn1 ZINC000886077617 590790745 /nfs/dbraw/zinc/79/07/45/590790745.db2.gz ABKDUTHHACBTLC-XJKSGUPXSA-N 0 0 340.387 0.806 10 0 ECAERN CCn1nccc1C1CCN(C(=O)CN2CCCC[C@H](O)C2=O)CC1 ZINC000886078164 590791658 /nfs/dbraw/zinc/79/16/58/590791658.db2.gz OOUVEZZFYWTRAY-INIZCTEOSA-N 0 0 348.447 0.982 10 0 ECAERN CO[C@@H]1CCCCN(CC(=O)NCc2ncccc2N(C)C)C1=O ZINC000886077656 590791775 /nfs/dbraw/zinc/79/17/75/590791775.db2.gz FHLMREVGHXZMRX-OAHLLOKOSA-N 0 0 334.420 0.791 10 0 ECAERN CO[C@@H]1CCCCN(CC(=O)N2CC(n3nc(C)nc3C)C2)C1=O ZINC000886077935 590792049 /nfs/dbraw/zinc/79/20/49/590792049.db2.gz RHMUOBVCQJPGQD-CQSZACIVSA-N 0 0 335.408 0.306 10 0 ECAERN CO[C@H]1CCCCN(CC(=O)NCCOc2ncccc2F)C1=O ZINC000886088381 590793533 /nfs/dbraw/zinc/79/35/33/590793533.db2.gz RQZRPAHGCKPPSZ-ZDUSSCGKSA-N 0 0 339.367 0.743 10 0 ECAERN CO[C@@H]1CCCCN(CC(=O)N2CCN(c3cnn(C)c3)CC2)C1=O ZINC000886088610 590794067 /nfs/dbraw/zinc/79/40/67/590794067.db2.gz KWYJRZHGZKNWMI-OAHLLOKOSA-N 0 0 349.435 0.096 10 0 ECAERN Cn1cnnc1C[C@@]1(O)CCCN(C(=O)c2cnn(C(C)(C)C)c2)C1 ZINC000886094999 590795021 /nfs/dbraw/zinc/79/50/21/590795021.db2.gz JXPYOOLAFNUURL-KRWDZBQOSA-N 0 0 346.435 0.976 10 0 ECAERN Cn1nccc1CC(=O)N1CCC[C@@](O)(Cc2nc(C3CC3)no2)C1 ZINC000886096854 590795264 /nfs/dbraw/zinc/79/52/64/590795264.db2.gz QNHPCHHFSHDSTM-QGZVFWFLSA-N 0 0 345.403 0.819 10 0 ECAERN C[C@H](NC(=O)N1CC[C@@H](N2CCOCC2)C1)c1nnnn1C1CC1 ZINC000188872969 611418144 /nfs/dbraw/zinc/41/81/44/611418144.db2.gz KLQUYWDOUKBYNZ-WCQYABFASA-N 0 0 335.412 0.185 10 0 ECAERN C[C@@H](NC(=O)C(=O)Nc1ccc(-n2nccn2)cc1)[C@@H]1CCCO1 ZINC000041916016 611432276 /nfs/dbraw/zinc/43/22/76/611432276.db2.gz UEKXYRXYODRLAA-RISCZKNCSA-N 0 0 329.360 0.890 10 0 ECAERN CS(=O)(=O)N1CC[C@@H](CNS(=O)(=O)/C=C/c2ccccc2)C1 ZINC000159015548 611452090 /nfs/dbraw/zinc/45/20/90/611452090.db2.gz TUYBZRMGQJCENL-PLWJUESGSA-N 0 0 344.458 0.858 10 0 ECAERN Cn1c(=O)cc(N2CCC[C@H](C(=O)Nc3ccccn3)C2)n(C)c1=O ZINC000065024045 608765112 /nfs/dbraw/zinc/76/51/12/608765112.db2.gz ZIYTXNMQBMMBCR-LBPRGKRZSA-N 0 0 343.387 0.334 10 0 ECAERN CCS(=O)(=O)N1CCN(C(=O)c2cncc3cccnc32)CC1 ZINC000222615195 609094954 /nfs/dbraw/zinc/09/49/54/609094954.db2.gz ILWSTMLNZVMFME-UHFFFAOYSA-N 0 0 334.401 0.737 10 0 ECAERN CC(=O)N1CCN(C(=O)[C@@H]2CN(C(C)=O)Cc3cccnc32)CC1 ZINC000222657513 609103694 /nfs/dbraw/zinc/10/36/94/609103694.db2.gz GNWPODRRWLWXQF-OAHLLOKOSA-N 0 0 330.388 0.218 10 0 ECAERN C[C@@H](O)CNC(=O)[C@@H]1CN(C(=O)c2ccco2)Cc2cccnc21 ZINC000222678384 609105019 /nfs/dbraw/zinc/10/50/19/609105019.db2.gz FLWVJBHTLDCMCT-DGCLKSJQSA-N 0 0 329.356 0.911 10 0 ECAERN C[C@@H](O)CNC(=O)c1cc2cc(S(=O)(=O)N(C)C)ccc2o1 ZINC000222803515 609117807 /nfs/dbraw/zinc/11/78/07/609117807.db2.gz RINMGFGJQHYNTO-SECBINFHSA-N 0 0 326.374 0.794 10 0 ECAERN C/C=C\[C@H](O)C(=O)N1C[C@H](COCC(=O)N(C)C)OC(C)(C)C1 ZINC000908089185 609642687 /nfs/dbraw/zinc/64/26/87/609642687.db2.gz GINAUHUTAWMZFJ-FAVCKAPTSA-N 0 0 328.409 0.034 10 0 ECAERN CC1=C(C)C(=O)N(CCC(=O)N2CCCC[C@@H]2c2nc[nH]n2)C1=O ZINC000908527354 609655475 /nfs/dbraw/zinc/65/54/75/609655475.db2.gz SAVUPQDXTKLNPR-GFCCVEGCSA-N 0 0 331.376 0.954 10 0 ECAERN O=C(N[C@@H]1C[C@@H](O)[C@H]1n1cccn1)c1cnc(C(F)(F)F)nc1 ZINC000909182486 609681218 /nfs/dbraw/zinc/68/12/18/609681218.db2.gz YHSUOLQSOVKBSH-BBBLOLIVSA-N 0 0 327.266 0.796 10 0 ECAERN O=C(NCCCN1CCOCC1)c1nn2c(c1Cl)OCCC2 ZINC000223784825 609714670 /nfs/dbraw/zinc/71/46/70/609714670.db2.gz ZQGDOKQKNWKSCI-UHFFFAOYSA-N 0 0 328.800 0.771 10 0 ECAERN O=S(=O)(c1sccc1Br)N1CCOC[C@@H]1CO ZINC000168666258 609738328 /nfs/dbraw/zinc/73/83/28/609738328.db2.gz GJVLYBRWYXZKJF-ZETCQYMHSA-N 0 0 342.236 0.892 10 0 ECAERN CC(C)[C@@H](NC(N)=O)C(=O)NCc1ccc(N2CCO[C@H](C)C2)nc1 ZINC000060475417 609742806 /nfs/dbraw/zinc/74/28/06/609742806.db2.gz WIJRDKYDSVDZAX-IUODEOHRSA-N 0 0 349.435 0.616 10 0 ECAERN C[C@@H](O)CN1CCN(C(=O)c2cccnc2-n2cccn2)C[C@H]1C ZINC000174290546 609789852 /nfs/dbraw/zinc/78/98/52/609789852.db2.gz AWVVZJNPBHAYHU-ZIAGYGMSSA-N 0 0 329.404 0.794 10 0 ECAERN Cc1cccc(C2N=NC(=S)N2CC(=O)N2CCOC[C@@H]2CO)c1 ZINC000912429060 609955168 /nfs/dbraw/zinc/95/51/68/609955168.db2.gz ZVRAJQDCBPFQGV-ZDUSSCGKSA-N 0 0 348.428 0.762 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)NCC[S@](=O)C(C)(C)C)CC1 ZINC000181780376 610167207 /nfs/dbraw/zinc/16/72/07/610167207.db2.gz ZWPYSCHRYIDKMP-XMHCIUCPSA-N 0 0 333.498 0.632 10 0 ECAERN C[C@@H](NC(=O)C(=O)Nc1ccc(-n2ccnc2)nc1)[C@H]1CCCO1 ZINC000071065629 610329019 /nfs/dbraw/zinc/32/90/19/610329019.db2.gz ZXAKDIUDVLBAKT-DGCLKSJQSA-N 0 0 329.360 0.890 10 0 ECAERN Cc1nn(CN2CCN(c3ccc4nncn4n3)CC2)cc1[N+](=O)[O-] ZINC000183344566 610403901 /nfs/dbraw/zinc/40/39/01/610403901.db2.gz XTTXOIRRHUZBOZ-UHFFFAOYSA-N 0 0 343.351 0.317 10 0 ECAERN COCC(=O)NC1CN(C(=O)c2ccnc(Br)c2)C1 ZINC000186315035 611275720 /nfs/dbraw/zinc/27/57/20/611275720.db2.gz AHJJIHOPZDHYTO-UHFFFAOYSA-N 0 0 328.166 0.431 10 0 ECAERN O=C(CO)N1CCN(C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)CC1 ZINC000091984274 612533482 /nfs/dbraw/zinc/53/34/82/612533482.db2.gz VTEJLLYQKLPQAQ-AWEZNQCLSA-N 0 0 337.807 0.970 10 0 ECAERN C[C@@H]1[C@@H](C(=O)NCCNC(N)=O)CCCN1C(=O)OC(C)(C)C ZINC000722683441 732713090 /nfs/dbraw/zinc/71/30/90/732713090.db2.gz QDWXDEMGMDXIFN-MNOVXSKESA-N 0 0 328.413 0.807 10 0 ECAERN C[C@H]1[C@H](C(=O)NCCNC(N)=O)CCCN1C(=O)OC(C)(C)C ZINC000722683444 732714017 /nfs/dbraw/zinc/71/40/17/732714017.db2.gz QDWXDEMGMDXIFN-WDEREUQCSA-N 0 0 328.413 0.807 10 0 ECAERN O=C1[C@H](N2CCOC[C@@H]2[C@@H]2CCC[C@H]2O)CCN1C1CCOCC1 ZINC000328946203 740408299 /nfs/dbraw/zinc/40/82/99/740408299.db2.gz GKRXOPHKEURNTE-YLFCFFPRSA-N 0 0 338.448 0.628 10 0 ECAERN CO[C@@H]1C[C@@H](c2nnc(C)[nH]2)N([C@H]2CCN(C3CCOCC3)C2=O)C1 ZINC000328934173 740412466 /nfs/dbraw/zinc/41/24/66/740412466.db2.gz IVISWWJBSCXXHO-ILXRZTDVSA-N 0 0 349.435 0.655 10 0 ECAERN Cc1nnc([C@@H]2CN(C(=O)c3ccnc4[nH]c(C)nc43)CCO2)[nH]1 ZINC000333262896 755306858 /nfs/dbraw/zinc/30/68/58/755306858.db2.gz MKOWXGJCPPUDQS-NSHDSACASA-N 0 0 327.348 0.907 10 0 ECAERN O=C(N[C@@H]1CCS(=O)(=O)C1)c1cccc(CN2CCCC2=O)c1 ZINC000052603523 214136433 /nfs/dbraw/zinc/13/64/33/214136433.db2.gz KUWXMWKBEQXUTR-CQSZACIVSA-N 0 0 336.413 0.726 10 0 ECAERN C[C@H]1CN(C(=O)CCNC(=O)c2ccco2)C[C@@H]1N1CCOCC1 ZINC000173826046 231044519 /nfs/dbraw/zinc/04/45/19/231044519.db2.gz KPXUZHOUJNPIQD-KBPBESRZSA-N 0 0 335.404 0.579 10 0 ECAERN C[C@H]1CN(C(=O)CNC(=O)c2cccc(F)c2)C[C@@H]1N1CCOCC1 ZINC000173979343 231088599 /nfs/dbraw/zinc/08/85/99/231088599.db2.gz VTQVZNXIIBHRSH-BBRMVZONSA-N 0 0 349.406 0.735 10 0 ECAERN CCc1cc(NC(=O)C(=O)N2CC(NC(=O)C3CCC3)C2)n(C)n1 ZINC000188019800 529537189 /nfs/dbraw/zinc/53/71/89/529537189.db2.gz KOAMNEOPQKDNKQ-UHFFFAOYSA-N 0 0 333.392 0.048 10 0 ECAERN Cc1cc(N2CCC[C@@H](NC(=O)CNCC(F)(F)F)C2=O)n(C)n1 ZINC000174978258 231359053 /nfs/dbraw/zinc/35/90/53/231359053.db2.gz KHOZDWDHWYKTDC-SNVBAGLBSA-N 0 0 347.341 0.492 10 0 ECAERN CNC(=O)c1cccc(CNC(=O)N2CC(NC(=O)C3CC3)C2)c1 ZINC000190290787 529946995 /nfs/dbraw/zinc/94/69/95/529946995.db2.gz WSWLZXZUKPSLOY-UHFFFAOYSA-N 0 0 330.388 0.466 10 0 ECAERN CCC1(CC)[C@H](NC(=O)[C@H]2C[C@@H](O)CN2C(C)=O)[C@H](C)[C@H]1OC ZINC000248807421 282438305 /nfs/dbraw/zinc/43/83/05/282438305.db2.gz BMNYNEWNCQVVCH-URWOTSEESA-N 0 0 326.437 0.924 10 0 ECAERN CC(C)CC(=O)N[C@@H](C(=O)N1CCCN(C(N)=O)CC1)C(C)C ZINC000102187135 219190576 /nfs/dbraw/zinc/19/05/76/219190576.db2.gz HXABANJXYDSQNX-CQSZACIVSA-N 0 0 326.441 0.786 10 0 ECAERN COCCNC(=O)CN1C(=O)N[C@](C)(c2ccccc2Cl)C1=O ZINC000003593544 210060812 /nfs/dbraw/zinc/06/08/12/210060812.db2.gz RRNKKRAXTZKPRU-OAHLLOKOSA-N 0 0 339.779 0.870 10 0 ECAERN C[C@@H](CNC(=O)Nc1cccnc1-n1cncn1)N1CCOCC1 ZINC000066670789 215067584 /nfs/dbraw/zinc/06/75/84/215067584.db2.gz QOGAYALWEOXZOH-LBPRGKRZSA-N 0 0 331.380 0.505 10 0 ECAERN CN(C)c1nc(N)nc(CN2CC[C@H](CNc3ccccn3)C2)n1 ZINC000103473721 219304815 /nfs/dbraw/zinc/30/48/15/219304815.db2.gz AHJZZBXNOHGHSA-GFCCVEGCSA-N 0 0 328.424 0.849 10 0 ECAERN O=C(NCCNC(=O)N1CCCC[C@@H]1c1cn[nH]c1)c1ccn[nH]1 ZINC000181866154 234359315 /nfs/dbraw/zinc/35/93/15/234359315.db2.gz ZJMYEYJZLNKXLS-CYBMUJFWSA-N 0 0 331.380 0.799 10 0 ECAERN O=C([O-])C1(Oc2ccc3ncccc3c2)CC[NH+](C[C@H](O)CO)CC1 ZINC000077438785 304034819 /nfs/dbraw/zinc/03/48/19/304034819.db2.gz MAQGDORHXTXSQX-AWEZNQCLSA-N 0 0 346.383 0.886 10 0 ECAERN CCc1noc([C@H](C)N2CCN(C(=O)C(=O)Nc3ccon3)CC2)n1 ZINC000185804411 235754770 /nfs/dbraw/zinc/75/47/70/235754770.db2.gz UOQVFUYVPLWSHG-JTQLQIEISA-N 0 0 348.363 0.464 10 0 ECAERN C[C@@H](c1nc(N)nc(N(C)C)n1)N1CCC(Nc2cccnn2)CC1 ZINC000106081526 219611887 /nfs/dbraw/zinc/61/18/87/219611887.db2.gz OGUUSNGIKOENQB-NSHDSACASA-N 0 0 343.439 0.947 10 0 ECAERN CC(C)[C@H](NC(=O)C(C)(C)C)C(=O)N1C[C@H]2OCCN(C)[C@@H]2C1 ZINC000355505110 299262078 /nfs/dbraw/zinc/26/20/78/299262078.db2.gz CPFHXYMTWXJSAU-MCIONIFRSA-N 0 0 325.453 0.715 10 0 ECAERN O=C(NC1CN(C(=O)NCCn2c(=O)[nH]c3ccccc32)C1)C1CC1 ZINC000187463259 236218294 /nfs/dbraw/zinc/21/82/94/236218294.db2.gz KNXZEGISAKHRGW-UHFFFAOYSA-N 0 0 343.387 0.250 10 0 ECAERN NC(=O)[C@@H]1COCCN1C(=O)c1nn(-c2ccccc2)c2c1CCC2 ZINC000091784969 283328558 /nfs/dbraw/zinc/32/85/58/283328558.db2.gz MLEYLXJHVZNYNQ-HNNXBMFYSA-N 0 0 340.383 0.687 10 0 ECAERN O=C(NC1CN(C(=O)C(=O)N2CCc3c2cccc3F)C1)C1CC1 ZINC000187982750 236370185 /nfs/dbraw/zinc/37/01/85/236370185.db2.gz YKQWXJAGZBKUFB-UHFFFAOYSA-N 0 0 331.347 0.452 10 0 ECAERN NC(=O)[C@H]1COCCN1C(=O)c1nn(-c2ccccc2)c2c1CCC2 ZINC000091784967 283356739 /nfs/dbraw/zinc/35/67/39/283356739.db2.gz MLEYLXJHVZNYNQ-OAHLLOKOSA-N 0 0 340.383 0.687 10 0 ECAERN Cc1ccc(N2C[C@H](O)[C@@H](N3CCN(c4ccccn4)CC3)C2)nn1 ZINC000072154766 216044083 /nfs/dbraw/zinc/04/40/83/216044083.db2.gz HYLVYULOXBFPLH-HOTGVXAUSA-N 0 0 340.431 0.552 10 0 ECAERN CCn1cc(NC(=O)C(=O)N2CCO[C@H](Cn3cc(C)cn3)C2)cn1 ZINC000129642601 223077692 /nfs/dbraw/zinc/07/76/92/223077692.db2.gz XJOKWTOVYULNNH-AWEZNQCLSA-N 0 0 346.391 0.274 10 0 ECAERN O=S1(=O)C[C@@H](O)[C@H](NCc2cc(F)ccc2Br)C1 ZINC000038039223 213195980 /nfs/dbraw/zinc/19/59/80/213195980.db2.gz OXETWIHWHZKBRP-GHMZBOCLSA-N 0 0 338.198 0.836 10 0 ECAERN Cc1cccc(C[C@@H](CO)NC(=O)NC[C@H](C)N2CCOCC2)c1 ZINC000191939579 239394031 /nfs/dbraw/zinc/39/40/31/239394031.db2.gz FEBXIBWLDPXKID-RDJZCZTQSA-N 0 0 335.448 0.918 10 0 ECAERN C[C@@H](CC(=O)N1CCN(c2cnn(C)c2)CC1)N1CCCCC1=O ZINC000193414020 240155915 /nfs/dbraw/zinc/15/59/15/240155915.db2.gz YHSKPDNMRFGGQS-AWEZNQCLSA-N 0 0 333.436 0.860 10 0 ECAERN Cc1ccc(F)c(OCC(=O)NC[C@H](O)CN2CCOCC2)c1 ZINC000133022048 223382535 /nfs/dbraw/zinc/38/25/35/223382535.db2.gz QTCWHUIBCFKIMI-ZDUSSCGKSA-N 0 0 326.368 0.322 10 0 ECAERN CN1CCO[C@@H](CNC(=O)N[C@H]2CCN(c3ccccc3)C2=O)C1 ZINC000245811142 243158642 /nfs/dbraw/zinc/15/86/42/243158642.db2.gz OPDTXRKBIRIVCK-GJZGRUSLSA-N 0 0 332.404 0.422 10 0 ECAERN Cc1cccc(C)c1NCC(=O)N1CCO[C@H](C[N@@H+](C)CC(=O)[O-])C1 ZINC000262948419 245265820 /nfs/dbraw/zinc/26/58/20/245265820.db2.gz OKKGPPRNEYIHRP-OAHLLOKOSA-N 0 0 349.431 0.959 10 0 ECAERN C[N@@H+](CC(=O)[O-])C[C@@H]1CN(C(=O)[C@@H]2Cc3ccccc3O2)CCO1 ZINC000262979074 245282593 /nfs/dbraw/zinc/28/25/93/245282593.db2.gz TXNSILSGIDXAEE-HIFRSBDPSA-N 0 0 334.372 0.234 10 0 ECAERN COC(=O)[C@H](Cn1ccnc1)[C@](O)(c1nccn1C)C(F)(F)F ZINC000012558787 284280122 /nfs/dbraw/zinc/28/01/22/284280122.db2.gz IVZLVJVDNFPBEV-CABZTGNLSA-N 0 0 332.282 0.856 10 0 ECAERN O=C(Nc1ccc(-n2ccnc2)nc1)C(=O)N[C@@H]1CCCC[C@H]1CO ZINC000078992710 217167820 /nfs/dbraw/zinc/16/78/20/217167820.db2.gz WFVAHSNYDOEYLF-GXTWGEPZSA-N 0 0 343.387 0.873 10 0 ECAERN COCCCN(Cc1nnnn1C(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000111233605 220120428 /nfs/dbraw/zinc/12/04/28/220120428.db2.gz AVAXGOLUKXNFJT-LBPRGKRZSA-N 0 0 331.442 0.280 10 0 ECAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1ccc2c(c1)C(=O)NC2=O ZINC000088281028 217744685 /nfs/dbraw/zinc/74/46/85/217744685.db2.gz HRFHNPNKJKPELC-LBPRGKRZSA-N 0 0 339.355 0.989 10 0 ECAERN NC(=O)C1CCN(C(=O)c2ccc(=O)n(Cc3ccccc3)n2)CC1 ZINC000011781307 211246081 /nfs/dbraw/zinc/24/60/81/211246081.db2.gz MBVRDNNGHSRJCW-UHFFFAOYSA-N 0 0 340.383 0.629 10 0 ECAERN NC(=O)[C@H]1COCCN1C(=O)Cc1cccc(Br)c1 ZINC000091781942 218064802 /nfs/dbraw/zinc/06/48/02/218064802.db2.gz FZQNMEYTUCVABF-LLVKDONJSA-N 0 0 327.178 0.704 10 0 ECAERN NC(=O)[C@H]1COCCN1C(=O)CCc1nc(-c2cccs2)no1 ZINC000091780950 218064939 /nfs/dbraw/zinc/06/49/39/218064939.db2.gz CKZNBHUBRKGOFN-SECBINFHSA-N 0 0 336.373 0.443 10 0 ECAERN NC(=O)[C@H]1COCCN1Cc1nc2sc3c(c2c(N)n1)CCCC3 ZINC000092229367 218127721 /nfs/dbraw/zinc/12/77/21/218127721.db2.gz CKKFLSQRFZHHSF-SNVBAGLBSA-N 0 0 347.444 0.838 10 0 ECAERN CCC[C@H](NC(=O)Cc1ccccc1)C(=O)NC[C@@H]1CN(C)CCO1 ZINC000112195869 220257339 /nfs/dbraw/zinc/25/73/39/220257339.db2.gz MMBHDPGSPFLHCB-SJORKVTESA-N 0 0 347.459 0.961 10 0 ECAERN Cc1nc(C)n(CCNC(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)n1 ZINC000095529435 218432780 /nfs/dbraw/zinc/43/27/80/218432780.db2.gz LHOFXWSUEAATHK-CQSZACIVSA-N 0 0 342.403 0.455 10 0 ECAERN O=C(C1CC1)N1CCCN(c2cc(N3CCC[C@@H]3CO)ncn2)CC1 ZINC000152807611 224014266 /nfs/dbraw/zinc/01/42/66/224014266.db2.gz CCGAFLVFDKDHIM-OAHLLOKOSA-N 0 0 345.447 0.886 10 0 ECAERN CN1CCO[C@H](CN[C@H](C(N)=O)c2ccc(Br)cc2)C1 ZINC000112548975 220346831 /nfs/dbraw/zinc/34/68/31/220346831.db2.gz GJVBUFXHRICKMV-OLZOCXBDSA-N 0 0 342.237 0.896 10 0 ECAERN CC(=O)N[C@@H](CC(=O)N[C@@H]1CCc2ncnn2C1)c1ccccc1 ZINC000112653887 220365884 /nfs/dbraw/zinc/36/58/84/220365884.db2.gz FMEHMFIASVQSEK-CABCVRRESA-N 0 0 327.388 0.977 10 0 ECAERN O=C(NCc1nncn1-c1ccccc1)N[C@@H]1CCc2ncnn2C1 ZINC000112744017 220394265 /nfs/dbraw/zinc/39/42/65/220394265.db2.gz SDSXBLAFWYPHEZ-GFCCVEGCSA-N 0 0 338.375 0.673 10 0 ECAERN CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000177021862 285273423 /nfs/dbraw/zinc/27/34/23/285273423.db2.gz PFDLQXKNSDAWRS-NSHDSACASA-N 0 0 331.376 0.168 10 0 ECAERN CCOCCN1CCN(S(=O)(=O)c2c(C)nn(C)c2C)C[C@@H]1C ZINC000117368832 221057833 /nfs/dbraw/zinc/05/78/33/221057833.db2.gz SKEAZDAHDLRWFR-LBPRGKRZSA-N 0 0 344.481 0.768 10 0 ECAERN COCCN1CCN(C(=O)c2cc(C)nc3c2c(=O)[nH]n3C)C[C@H]1C ZINC000117291265 221045002 /nfs/dbraw/zinc/04/50/02/221045002.db2.gz NWRBPQIOLUJHMI-GFCCVEGCSA-N 0 0 347.419 0.363 10 0 ECAERN CCOCCN1CCN(C(=O)C(=O)Nc2cnccc2C)C[C@@H]1C ZINC000117521788 221073068 /nfs/dbraw/zinc/07/30/68/221073068.db2.gz GKFGJFGDUOKEMN-AWEZNQCLSA-N 0 0 334.420 0.898 10 0 ECAERN COCCN1CCN(C(=O)C(=O)Nc2ccc(N(C)C)cc2)C[C@@H]1C ZINC000117522673 221074814 /nfs/dbraw/zinc/07/48/14/221074814.db2.gz DAAHAGSYTFBVHF-AWEZNQCLSA-N 0 0 348.447 0.870 10 0 ECAERN Cc1cnn(CCNC(=O)NCCS(=O)(=O)NCC2CCC2)c1 ZINC000118074131 221111855 /nfs/dbraw/zinc/11/18/55/221111855.db2.gz YUISJMRXMAHRIN-UHFFFAOYSA-N 0 0 343.453 0.210 10 0 ECAERN CCS(=O)(=O)N1CC[C@H]2CN(c3ncccn3)CCO[C@H]2C1 ZINC000253490308 257658965 /nfs/dbraw/zinc/65/89/65/257658965.db2.gz IDFSLJAVBQJXCW-STQMWFEESA-N 0 0 326.422 0.353 10 0 ECAERN Cc1oncc1C(=O)NC[C@@]12COC[C@@H]1CN(c1ncccn1)C2 ZINC000251993513 257660478 /nfs/dbraw/zinc/66/04/78/257660478.db2.gz JZUQSRLJEPVDDE-BLLLJJGKSA-N 0 0 329.360 0.656 10 0 ECAERN CNC(=O)[C@]12CCO[C@H]1CCN(S(=O)(=O)c1ccc(F)cc1)C2 ZINC000247982817 257670653 /nfs/dbraw/zinc/67/06/53/257670653.db2.gz YFKKIUNYEURFLR-ZFWWWQNUSA-N 0 0 342.392 0.741 10 0 ECAERN CS(=O)(=O)N1CCO[C@H]2CN(C(=O)c3cscn3)CC[C@H]2C1 ZINC000247502094 257681444 /nfs/dbraw/zinc/68/14/44/257681444.db2.gz FTPPWROFCROGQZ-JQWIXIFHSA-N 0 0 345.446 0.266 10 0 ECAERN C[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)NCC(F)(F)CN ZINC000190266252 533487205 /nfs/dbraw/zinc/48/72/05/533487205.db2.gz ZQLDZAYUPHBBHF-MRVPVSSYSA-N 0 0 339.339 0.203 10 0 ECAERN O=C([C@H]1CC=NN1)N1CCN(C(=O)[C@H]2CC=NN2)c2ccccc21 ZINC000004896354 135641101 /nfs/dbraw/zinc/64/11/01/135641101.db2.gz WBEOHKVVMAXEFI-VXGBXAGGSA-N 0 0 326.360 0.062 10 0 ECAERN CCS(=O)(=O)N1CC(CNC(=O)N[C@@H]2CCCC[C@H]2CO)C1 ZINC000333069692 297106313 /nfs/dbraw/zinc/10/63/13/297106313.db2.gz ONSKAJUGGCYVAO-QWHCGFSZSA-N 0 0 333.454 0.118 10 0 ECAERN Cc1oc2[nH]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)N(C)CCO ZINC000135566005 296678438 /nfs/dbraw/zinc/67/84/38/296678438.db2.gz HHQLMYJUNUCDQE-UHFFFAOYSA-N 0 0 343.339 0.645 10 0 ECAERN CCCn1nccc1NC(=O)C(=O)N1CCC[C@H](n2cncn2)C1 ZINC000154043231 296694396 /nfs/dbraw/zinc/69/43/96/296694396.db2.gz FLVMYNFFVXYQBW-LBPRGKRZSA-N 0 0 331.380 0.687 10 0 ECAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)c1cnc2sccn2c1=O ZINC000081580390 164625419 /nfs/dbraw/zinc/62/54/19/164625419.db2.gz NDXFWRUAHKMFBK-SNVBAGLBSA-N 0 0 330.373 0.921 10 0 ECAERN CNC(=O)C1(C(=O)N2CCCN(Cc3noc(C4CC4)n3)CC2)CC1 ZINC000135504631 164714312 /nfs/dbraw/zinc/71/43/12/164714312.db2.gz FMLQKOJLQWJCGW-UHFFFAOYSA-N 0 0 347.419 0.508 10 0 ECAERN Cc1nnc([C@H]2CN(C(=O)c3ncn(-c4ccccc4)n3)CCO2)[nH]1 ZINC000157970908 164790885 /nfs/dbraw/zinc/79/08/85/164790885.db2.gz STYFGMZNMJFRDK-CYBMUJFWSA-N 0 0 339.359 0.908 10 0 ECAERN Cc1csc(=O)n1CCC(=O)N1CCO[C@H](c2nnc(C)[nH]2)C1 ZINC000173532116 164857547 /nfs/dbraw/zinc/85/75/47/164857547.db2.gz RJNXDGGNRYZQMK-NSHDSACASA-N 0 0 337.405 0.635 10 0 ECAERN C[C@@H]1CN(C(=O)CNC(=O)Cc2ccccc2)C[C@@H]1N1CCOCC1 ZINC000173965261 164864669 /nfs/dbraw/zinc/86/46/69/164864669.db2.gz CXKFVZGRTLYPID-WBVHZDCISA-N 0 0 345.443 0.524 10 0 ECAERN C[C@@H]1CN(C(=O)NCC(=O)N2CCCCC2)C[C@@H]1N1CCOCC1 ZINC000175670750 164882915 /nfs/dbraw/zinc/88/29/15/164882915.db2.gz YASBDBBVTIJWMA-CABCVRRESA-N 0 0 338.452 0.361 10 0 ECAERN C[C@@H]1CN(S(=O)(=O)c2ncn(C)c2Cl)C[C@@H]1N1CCOCC1 ZINC000176992717 164899598 /nfs/dbraw/zinc/89/95/98/164899598.db2.gz KKUMCUSGDVBQBY-MNOVXSKESA-N 0 0 348.856 0.415 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)C(=O)Nc1cccc(OC)c1)CC2 ZINC000177636540 164907656 /nfs/dbraw/zinc/90/76/56/164907656.db2.gz SWNNLVWPFVSZQB-GFCCVEGCSA-N 0 0 343.387 0.919 10 0 ECAERN Cc1noc([C@@H]2COCCN2C(=O)CNC(=O)c2ccccc2)n1 ZINC000183765056 164957857 /nfs/dbraw/zinc/95/78/57/164957857.db2.gz NYKPVQNRIFFCED-ZDUSSCGKSA-N 0 0 330.344 0.708 10 0 ECAERN C[C@@H]1C(=O)NCCCN1C(=O)CCn1c2ccccc2n(C)c1=O ZINC000188907631 165003113 /nfs/dbraw/zinc/00/31/13/165003113.db2.gz XMGNOKHFLOPABB-GFCCVEGCSA-N 0 0 330.388 0.467 10 0 ECAERN C[C@H]1C(=O)NCCCN1C(=O)C1=NN(c2ccccc2)C(=O)CC1 ZINC000188878403 165003313 /nfs/dbraw/zinc/00/33/13/165003313.db2.gz WBJZUQCTDGVHGG-LBPRGKRZSA-N 0 0 328.372 0.906 10 0 ECAERN C[C@@H]1C(=O)NCCCN1C(=O)[C@@H]1CCCN1C(=O)Cc1ccccc1 ZINC000189233681 165007063 /nfs/dbraw/zinc/00/70/63/165007063.db2.gz XOMCZQNHBGYTAZ-ZBFHGGJFSA-N 0 0 343.427 0.957 10 0 ECAERN O=C(NC1CN(C(=O)[C@H]2CC[C@H](C(F)(F)F)NC2=O)C1)C1CC1 ZINC000189430988 165009473 /nfs/dbraw/zinc/00/94/73/165009473.db2.gz DXBPYWZCCABOHF-VHSXEESVSA-N 0 0 333.310 0.181 10 0 ECAERN C[C@@H](C1CC1)n1cc(NC(=O)C(=O)N2CCCNC(=O)[C@@H]2C)cn1 ZINC000190664577 165024544 /nfs/dbraw/zinc/02/45/44/165024544.db2.gz SSGDKXWDULPZNT-QWRGUYRKSA-N 0 0 333.392 0.530 10 0 ECAERN C[C@@H]1C(=O)NCCCN1C(=O)NCc1cn(C)nc1C(F)(F)F ZINC000191508528 165032493 /nfs/dbraw/zinc/03/24/93/165032493.db2.gz ACGXHJFFQBMXAY-MRVPVSSYSA-N 0 0 333.314 0.859 10 0 ECAERN CCc1nc2ccccc2n1CC(=O)NC[C@@H](O)CN1CCOCC1 ZINC000192710134 165045391 /nfs/dbraw/zinc/04/53/91/165045391.db2.gz ZQZNXTXBWPBCSE-CQSZACIVSA-N 0 0 346.431 0.408 10 0 ECAERN O=C(NC[C@@H](O)CN1CCOCC1)c1cc(-c2cccs2)on1 ZINC000192707452 165047015 /nfs/dbraw/zinc/04/70/15/165047015.db2.gz LJIBQVVRZLIGTR-LLVKDONJSA-N 0 0 337.401 0.826 10 0 ECAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NC[C@H](C)COCc1ccccc1 ZINC000192857277 165048522 /nfs/dbraw/zinc/04/85/22/165048522.db2.gz ZZHXZEVPUBVNIS-IAOVAPTHSA-N 0 0 334.416 0.937 10 0 ECAERN O=C(Nc1ccc(Cl)cn1)C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000193368235 165054352 /nfs/dbraw/zinc/05/43/52/165054352.db2.gz NJLACGYMCXHONU-GFCCVEGCSA-N 0 0 338.795 0.607 10 0 ECAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CCN(c2cc(C)ccc2C)CC1 ZINC000193577877 165055389 /nfs/dbraw/zinc/05/53/89/165055389.db2.gz ZFGRAIGYPSQOAV-SJLPKXTDSA-N 0 0 345.443 0.934 10 0 ECAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CCO[C@@H](Cc2ccccc2)C1 ZINC000193764538 165059704 /nfs/dbraw/zinc/05/97/04/165059704.db2.gz DOHZEKMQAUWHLD-IXDOHACOSA-N 0 0 332.400 0.438 10 0 ECAERN CN1CCO[C@H](CNC(=O)CCn2cnc3ccccc3c2=O)C1 ZINC000194614006 165069846 /nfs/dbraw/zinc/06/98/46/165069846.db2.gz KTESXWBQJOONKY-CYBMUJFWSA-N 0 0 330.388 0.233 10 0 ECAERN Cc1nc(CN2CCCN(S(=O)(=O)C[C@H]3CCCO3)CC2)no1 ZINC000246109625 165122853 /nfs/dbraw/zinc/12/28/53/165122853.db2.gz IBQIXXMFANWZRN-CYBMUJFWSA-N 0 0 344.437 0.395 10 0 ECAERN C[C@@H](NS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1)c1nnc2n1CCCC2 ZINC000246886271 165144827 /nfs/dbraw/zinc/14/48/27/165144827.db2.gz FEISOEMFDZDDCY-GRYCIOLGSA-N 0 0 343.453 0.619 10 0 ECAERN C[C@@H]1CN([C@H](CNC(=O)C(=O)NC2CC2)c2cccs2)CCO1 ZINC000246835111 165146013 /nfs/dbraw/zinc/14/60/13/165146013.db2.gz LCPFBHVLKOTWIL-DGCLKSJQSA-N 0 0 337.445 0.905 10 0 ECAERN Cc1nnc([C@@H]2CN([C@H](C)c3nc(N)nc(N(C)C)n3)CCO2)[nH]1 ZINC000246973953 165148169 /nfs/dbraw/zinc/14/81/69/165148169.db2.gz MAOCJIKJPASFMU-SCZZXKLOSA-N 0 0 333.400 0.081 10 0 ECAERN CCN(C(=O)[C@H](C)N1CCN2CCC[C@H]2C1)[C@H]1CCS(=O)(=O)C1 ZINC000247069897 165153530 /nfs/dbraw/zinc/15/35/30/165153530.db2.gz GMBJYTFRCZLKSB-KKUMJFAQSA-N 0 0 343.493 0.191 10 0 ECAERN CCOCCN1CCN(S(=O)(=O)c2c(C)nn(C)c2C)C[C@H]1C ZINC000247190360 165155445 /nfs/dbraw/zinc/15/54/45/165155445.db2.gz SKEAZDAHDLRWFR-GFCCVEGCSA-N 0 0 344.481 0.768 10 0 ECAERN COCCN1CCN(CC(=O)N2CCO[C@@H]3CCCC[C@H]32)C[C@@H]1C ZINC000247212970 165155822 /nfs/dbraw/zinc/15/58/22/165155822.db2.gz PYTCYDSQJMFDLY-GVDBMIGSSA-N 0 0 339.480 0.809 10 0 ECAERN CC[C@H](C)[C@@H](NC(=O)CN1CC[C@@H](c2cnn(C)c2)C1)C(=O)OC ZINC000247539594 165166392 /nfs/dbraw/zinc/16/63/92/165166392.db2.gz QQDAQLRRDNKABK-WOSRLPQWSA-N 0 0 336.436 0.913 10 0 ECAERN CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1cnc(N(C)C)nc1 ZINC000249194052 165195970 /nfs/dbraw/zinc/19/59/70/165195970.db2.gz PUIUVPMHICPTOX-KGLIPLIRSA-N 0 0 346.435 0.566 10 0 ECAERN CO[C@@H](C)CS(=O)(=O)N(C)[C@H]1CCCN(c2cccnn2)C1 ZINC000249581253 165200503 /nfs/dbraw/zinc/20/05/03/165200503.db2.gz NKKPLUCNOAEQIR-STQMWFEESA-N 0 0 328.438 0.742 10 0 ECAERN CCn1c(N)c(C(=O)CN2CCO[C@@H]3CCCC[C@H]32)c(=O)[nH]c1=O ZINC000253613172 165210732 /nfs/dbraw/zinc/21/07/32/165210732.db2.gz YBMBGUYFPBOZDF-ZYHUDNBSSA-N 0 0 336.392 0.377 10 0 ECAERN CNC(=O)Cn1ccc2ccc(NC(=O)C3([NH3+])CCOCC3)cc21 ZINC000261698236 165229970 /nfs/dbraw/zinc/22/99/70/165229970.db2.gz DNTZVYCIOZQNHR-UHFFFAOYSA-N 0 0 330.388 0.834 10 0 ECAERN COc1cc(OC)cc(N2CC[C@H](NC(=O)[C@H]3NCCO[C@@H]3C)C2)c1 ZINC000262096285 165288931 /nfs/dbraw/zinc/28/89/31/165288931.db2.gz DKALMPZOMVEVRK-IGCXYCKISA-N 0 0 349.431 0.776 10 0 ECAERN COC[C@H]([NH3+])C(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000262223298 165312960 /nfs/dbraw/zinc/31/29/60/165312960.db2.gz FVPUJDJUKJPGLG-CPUCHLNUSA-N 0 0 335.448 0.886 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)c2n[nH]c(=O)c3ccccc32)C1 ZINC000262711065 165375789 /nfs/dbraw/zinc/37/57/89/165375789.db2.gz LQMWGFVKSMEQCC-UHFFFAOYSA-N 0 0 344.371 0.590 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)c2cccc(NC(N)=O)c2)C1 ZINC000262720621 165378027 /nfs/dbraw/zinc/37/80/27/165378027.db2.gz PMDHJCVWWNDJNO-UHFFFAOYSA-N 0 0 334.376 0.845 10 0 ECAERN CCC(=O)N1CCCC[C@@H]1C(=O)NC1CC([N@H+](CC)CC(=O)[O-])C1 ZINC000262734275 165379322 /nfs/dbraw/zinc/37/93/22/165379322.db2.gz VEHBSGNUCCUIKE-JXQTWKCFSA-N 0 0 339.436 0.831 10 0 ECAERN Cc1cc(C)n(CC(=O)NC2CC([N@@H+](CC(=O)[O-])CC3CC3)C2)n1 ZINC000262729225 165379569 /nfs/dbraw/zinc/37/95/69/165379569.db2.gz UEVOFBVZVGDLFP-UHFFFAOYSA-N 0 0 334.420 0.944 10 0 ECAERN CCO[C@@H]1C[C@@H](NC(=O)NC2CC([N@H+](CC)CC(=O)[O-])C2)[C@@H]1OC ZINC000263328003 165437400 /nfs/dbraw/zinc/43/74/00/165437400.db2.gz BTSQWRHYQPLSCC-VRGIRBFQSA-N 0 0 343.424 0.416 10 0 ECAERN O=C(NC[C@@H]1CCCC[C@@H]1O)C(=O)Nc1ccc(-n2ccnn2)cc1 ZINC000158486385 225026922 /nfs/dbraw/zinc/02/69/22/225026922.db2.gz DZBDFKITBSARFP-WFASDCNBSA-N 0 0 343.387 0.873 10 0 ECAERN C[C@H]1C[C@H]1NC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000171069570 226868339 /nfs/dbraw/zinc/86/83/39/226868339.db2.gz LAGZVWLJWPXWFR-CMPLNLGQSA-N 0 0 344.458 0.836 10 0 ECAERN Cc1nc(C[C@H]2CCCN(S(=O)(=O)c3cnn(C)c3)C2)no1 ZINC000171429605 227075712 /nfs/dbraw/zinc/07/57/12/227075712.db2.gz XGHDAZKPQMAXGS-LLVKDONJSA-N 0 0 325.394 0.755 10 0 ECAERN CCc1c(C(=O)NC[C@@H](O)CN2CCOCC2)[nH]c(C)c1C(C)=O ZINC000122611220 222123920 /nfs/dbraw/zinc/12/39/20/222123920.db2.gz UMNVAQQSPLVAQH-CYBMUJFWSA-N 0 0 337.420 0.511 10 0 ECAERN O=S(=O)(NCCN1CCC[C@@H](n2cncn2)C1)c1ccccc1 ZINC000171620124 227179098 /nfs/dbraw/zinc/17/90/98/227179098.db2.gz GIFKKRRDXDXMRY-CQSZACIVSA-N 0 0 335.433 0.894 10 0 ECAERN CNc1cc(N2CCC[C@@H]2CNC(=O)CNCC(F)(F)F)ncn1 ZINC000173411952 263148724 /nfs/dbraw/zinc/14/87/24/263148724.db2.gz KARPAJIERGRSHZ-SNVBAGLBSA-N 0 0 346.357 0.755 10 0 ECAERN CNC(=O)[C@H]1CCCN1C(=O)Nc1cccc(-n2nnnc2C)c1 ZINC000176343996 263152205 /nfs/dbraw/zinc/15/22/05/263152205.db2.gz QYXHPIPFXRTSFU-CYBMUJFWSA-N 0 0 329.364 0.713 10 0 ECAERN CC(=O)O[C@H]1O[C@H](C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000105185204 278222104 /nfs/dbraw/zinc/22/21/04/278222104.db2.gz QZQMGQQOGJIDKJ-UHSDGGDUSA-N 0 0 332.305 0.089 10 0 ECAERN C[C@@H]1OCC[C@@H]1NC(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000125628516 279043618 /nfs/dbraw/zinc/04/36/18/279043618.db2.gz JIPPGWVZKVVQCZ-KBPBESRZSA-N 0 0 334.424 0.075 10 0 ECAERN O=C(NC[C@H](O)CN1CCOCC1)c1ccn(-c2ccccc2)n1 ZINC000121107387 279857485 /nfs/dbraw/zinc/85/74/85/279857485.db2.gz RIXZCZJJAPGJFD-HNNXBMFYSA-N 0 0 330.388 0.295 10 0 ECAERN O=C(Nc1nc2c(s1)CCCC2)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000193104648 280057245 /nfs/dbraw/zinc/05/72/45/280057245.db2.gz CONAFBRUQGSHIA-SECBINFHSA-N 0 0 346.416 0.683 10 0 ECAERN Cc1cc(C(=O)N2CC(NC(=O)C3CC3)C2)ccc1-n1cncn1 ZINC000189506106 437604760 /nfs/dbraw/zinc/60/47/60/437604760.db2.gz YOOMMZQMILXFQY-UHFFFAOYSA-N 0 0 325.372 0.926 10 0 ECAERN CC[C@H]1[C@H](CO)CCN1C(=O)NC1CC([N@H+](CC)CC(=O)[O-])C1 ZINC000263458450 281275209 /nfs/dbraw/zinc/27/52/09/281275209.db2.gz IBZMOEPZQFOUTP-ABXWRUBCSA-N 0 0 327.425 0.726 10 0 ECAERN CN(C)C(=O)[C@H]1CCCN1C(=O)Nc1cccnc1-n1cncn1 ZINC000118814987 289017574 /nfs/dbraw/zinc/01/75/74/289017574.db2.gz FAYDFUOOAPYPBW-GFCCVEGCSA-N 0 0 329.364 0.747 10 0 ECAERN CO[C@@H](C(=O)N1CCO[C@H](C[N@H+](C)CC(=O)[O-])C1)c1ccccc1 ZINC000262837591 293387443 /nfs/dbraw/zinc/38/74/43/293387443.db2.gz IPMVYMWARQCMIS-GDBMZVCRSA-N 0 0 336.388 0.618 10 0 ECAERN Cn1cccc1C(=O)N1C[C@H]2OCC(=O)N(Cc3ccncc3)[C@@H]2C1 ZINC000096246372 294379295 /nfs/dbraw/zinc/37/92/95/294379295.db2.gz MOYRXGYBXAANSA-HZPDHXFCSA-N 0 0 340.383 0.672 10 0 ECAERN NC(=O)[C@@H]1COCCN1C(=O)[C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000248657558 295119355 /nfs/dbraw/zinc/11/93/55/295119355.db2.gz XJTFFRHSXBIHCT-PTRXPTGYSA-N 0 0 328.290 0.920 10 0 ECAERN Cc1ncsc1CCS(=O)(=O)NC[C@H]1CN(C2CC2)CCO1 ZINC000333067422 297105999 /nfs/dbraw/zinc/10/59/99/297105999.db2.gz JJBFDHBUJMFBEZ-ZDUSSCGKSA-N 0 0 345.490 0.777 10 0 ECAERN CN1CCN(C(=O)Cn2cc(NC(=O)[C@@H]3C[C@H]3C3CC3)cn2)CC1 ZINC000333092689 297108845 /nfs/dbraw/zinc/10/88/45/297108845.db2.gz ZULAVHWJKPPKDU-LSDHHAIUSA-N 0 0 331.420 0.642 10 0 ECAERN O=C(CC1(C(=O)N2CC(O)(C3CC3)C2)CCCC1)N1CCOCC1 ZINC000333150019 297114254 /nfs/dbraw/zinc/11/42/54/297114254.db2.gz LRBJHBXOZONIQF-UHFFFAOYSA-N 0 0 336.432 0.779 10 0 ECAERN Cn1nc(-c2nc(CC(=O)N3CCN(C)CC3)no2)c2c1CCCC2 ZINC000333180490 297116230 /nfs/dbraw/zinc/11/62/30/297116230.db2.gz LRJJQMCKUNIWDV-UHFFFAOYSA-N 0 0 344.419 0.665 10 0 ECAERN Cn1ccnc1CC1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)CC1 ZINC000333229529 297119674 /nfs/dbraw/zinc/11/96/74/297119674.db2.gz UGDNKGOYXJFCFM-UHFFFAOYSA-N 0 0 331.376 0.164 10 0 ECAERN C[C@@H](CC(=O)NCCC(=O)N1CCN(C)CC1)N1CCCCC1=O ZINC000333409565 297131976 /nfs/dbraw/zinc/13/19/76/297131976.db2.gz GSUOVENCPFRLKD-AWEZNQCLSA-N 0 0 338.452 0.058 10 0 ECAERN O=C(CN1C[C@@H](F)C[C@H]1CO)N1CCN(c2ccc(F)cc2)CC1 ZINC000346366665 298267897 /nfs/dbraw/zinc/26/78/97/298267897.db2.gz FXKUFJSUUPUCJN-HOCLYGCPSA-N 0 0 339.386 0.879 10 0 ECAERN Cn1cc([C@H]2[C@@H](C(=O)N[C@@H]3CCCC[C@@H]3O)CCC(=O)N2C)cn1 ZINC000360992837 300050128 /nfs/dbraw/zinc/05/01/28/300050128.db2.gz OLIHPXYYHUTEFT-FQLMCAECSA-N 0 0 334.420 0.749 10 0 ECAERN CN1C[C@H](NS(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)CC1=O ZINC000363192259 300253434 /nfs/dbraw/zinc/25/34/34/300253434.db2.gz IHFSKJVKSNKERD-RWSFTLGLSA-N 0 0 328.434 0.532 10 0 ECAERN O=C(c1cc(S(=O)(=O)N2C[C@@H](F)C[C@H]2CO)c[nH]1)N1CCCC1 ZINC000364561724 300368070 /nfs/dbraw/zinc/36/80/70/300368070.db2.gz QEOQZLPKHFQIMR-QWRGUYRKSA-N 0 0 345.396 0.344 10 0 ECAERN CO[C@H]1C[C@H](C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)N(S(C)(=O)=O)C1 ZINC000365768107 300482639 /nfs/dbraw/zinc/48/26/39/300482639.db2.gz RNJSIOFVOHXCLF-MBJXGIAVSA-N 0 0 332.466 0.976 10 0 ECAERN CC(C)NC(=O)N[C@H]1C[C@@H](c2nc(-c3cncnc3)no2)N(C)C1 ZINC000012530120 436051979 /nfs/dbraw/zinc/05/19/79/436051979.db2.gz NURPYLBIVSZJMG-RYUDHWBXSA-N 0 0 331.380 0.979 10 0 ECAERN CN1CCO[C@@H](CNC(=O)CCCN2C(=O)c3ccccc3C2=O)C1 ZINC000074773405 436140689 /nfs/dbraw/zinc/14/06/89/436140689.db2.gz UWIKGQMYKHLKHK-ZDUSSCGKSA-N 0 0 345.399 0.510 10 0 ECAERN C[C@@H](CNC(=O)NC[C@](C)(O)c1ccsc1)N1CCOCC1 ZINC000077531731 436240860 /nfs/dbraw/zinc/24/08/60/436240860.db2.gz QSZDLSGRPHJVQM-WFASDCNBSA-N 0 0 327.450 0.976 10 0 ECAERN C[C@H](C(=O)N[C@H]1CCCC[C@H]1CO)N1C(=O)NC2(CCCC2)C1=O ZINC000378296618 301427735 /nfs/dbraw/zinc/42/77/35/301427735.db2.gz VMSGYUGGBAISDK-AGIUHOORSA-N 0 0 337.420 0.907 10 0 ECAERN Cn1cc(N2CC[C@H](NC(=O)NC[C@@H]3CCCC[C@@H]3O)C2=O)cn1 ZINC000077835571 436255736 /nfs/dbraw/zinc/25/57/36/436255736.db2.gz OQDVJMVXDRJGDS-UBHSHLNASA-N 0 0 335.408 0.376 10 0 ECAERN CC(=O)OC[C@@H]1C[C@@H](OC(C)=O)[C@H](n2cnc3c2ncnc3N)O1 ZINC000034423137 436256176 /nfs/dbraw/zinc/25/61/76/436256176.db2.gz QTMNOIOAPNULSF-IMSIIYSGSA-N 0 0 335.320 0.191 10 0 ECAERN CCn1c(=O)c(=O)n(CC(=O)NCCCOC(C)C)c2cccnc21 ZINC000035510940 436256579 /nfs/dbraw/zinc/25/65/79/436256579.db2.gz GVIHVBVFILWYAD-UHFFFAOYSA-N 0 0 348.403 0.509 10 0 ECAERN C[C@H](CNC(=O)C(=O)Nc1ccc(F)c(F)c1F)N1CCOCC1 ZINC000041600875 436280101 /nfs/dbraw/zinc/28/01/01/436280101.db2.gz XWCBAGREVHEZFC-SECBINFHSA-N 0 0 345.321 0.879 10 0 ECAERN O=C(CCNS(=O)(=O)c1cccs1)NC[C@@H]1CCC[C@@H]1O ZINC000089159267 436406906 /nfs/dbraw/zinc/40/69/06/436406906.db2.gz HFBLGEFLVQINPG-QWRGUYRKSA-N 0 0 332.447 0.694 10 0 ECAERN O=C(/C=C/c1ccnc(Cl)c1)NC[C@@H](O)CN1CCOCC1 ZINC000090165898 436429239 /nfs/dbraw/zinc/42/92/39/436429239.db2.gz CWMPXKKRKFNGDK-ZIYVKSGCSA-N 0 0 325.796 0.558 10 0 ECAERN C[C@@H]1C[C@H]1NC(=O)C(=O)Nc1cc(Br)c(=O)n(C)c1 ZINC000091219168 436446057 /nfs/dbraw/zinc/44/60/57/436446057.db2.gz FFAZNNBECIDBTA-HZGVNTEJSA-N 0 0 328.166 0.611 10 0 ECAERN O=S(=O)(N[C@@H]1[C@@H](c2ccncc2)C[C@@H](O)[C@H]1O)c1ccccc1 ZINC000072321664 304764491 /nfs/dbraw/zinc/76/44/91/304764491.db2.gz QWUHEFWZNTXGGV-KLHDSHLOSA-N 0 0 334.397 0.638 10 0 ECAERN CN(Cc1ccc(Cl)s1)C(=O)CN1CCOC[C@@H]1C(N)=O ZINC000092228839 436469435 /nfs/dbraw/zinc/46/94/35/436469435.db2.gz MHXQFLYIPMNPIC-SNVBAGLBSA-N 0 0 331.825 0.546 10 0 ECAERN O=C(CCc1cc(F)ccc1F)NC[C@H](O)CN1CCOCC1 ZINC000097066677 436537255 /nfs/dbraw/zinc/53/72/55/436537255.db2.gz IYLGJAVSKLHZAI-AWEZNQCLSA-N 0 0 328.359 0.707 10 0 ECAERN CCn1ccc(C(=O)N2CC[C@@H](n3c(=O)[nH]c4cncnc43)C2)n1 ZINC000097940710 436544340 /nfs/dbraw/zinc/54/43/40/436544340.db2.gz YJNRZZNYXCUCNO-SNVBAGLBSA-N 0 0 327.348 0.423 10 0 ECAERN CN1CCO[C@H](CNC(=O)N2CCN(c3ccccc3F)CC2)C1 ZINC000104799704 436563633 /nfs/dbraw/zinc/56/36/33/436563633.db2.gz LWBFVCOIONEBKN-CQSZACIVSA-N 0 0 336.411 0.988 10 0 ECAERN CC(C)c1noc(CCCNC(=O)NC[C@@H]2CN(C)CCO2)n1 ZINC000104794425 436564573 /nfs/dbraw/zinc/56/45/73/436564573.db2.gz OQIDMKXWTRFKGI-GFCCVEGCSA-N 0 0 325.413 0.755 10 0 ECAERN CN1CCO[C@H](CNC(=O)NCCOc2ccc(F)c(F)c2)C1 ZINC000106561378 436598096 /nfs/dbraw/zinc/59/80/96/436598096.db2.gz IAYOKQQGVOOERJ-GFCCVEGCSA-N 0 0 329.347 0.973 10 0 ECAERN O=C(CNC(=O)c1ccc(F)cc1F)N[C@H]1CCc2ncnn2C1 ZINC000112725437 436633820 /nfs/dbraw/zinc/63/38/20/436633820.db2.gz XEOCLEFFENKFJX-JTQLQIEISA-N 0 0 335.314 0.417 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)N(CCCOC)CCOC)CC2 ZINC000114976466 436645555 /nfs/dbraw/zinc/64/55/55/436645555.db2.gz GQMOWSIQKPXXOJ-CYBMUJFWSA-N 0 0 339.440 0.850 10 0 ECAERN COCCOCCC(=O)N1CCN(Cc2c(C)nn(C)c2C)CC1 ZINC000115389303 436647158 /nfs/dbraw/zinc/64/71/58/436647158.db2.gz GNOOATGFIVPQHP-UHFFFAOYSA-N 0 0 338.452 0.734 10 0 ECAERN Cn1cc([C@H]2CCN(S(=O)(=O)c3cc(C(N)=O)n(C)c3)C2)cn1 ZINC000116371599 436650217 /nfs/dbraw/zinc/65/02/17/436650217.db2.gz ZABIECSTLDCNOJ-JTQLQIEISA-N 0 0 337.405 0.036 10 0 ECAERN CCc1nn(C)c(Cl)c1CN1CCN([C@@H]2CCN(C)C2=O)CC1 ZINC000116278350 436649054 /nfs/dbraw/zinc/64/90/54/436649054.db2.gz ASTWKLRZDCTJKD-CQSZACIVSA-N 0 0 339.871 0.984 10 0 ECAERN CNS(=O)(=O)c1cc(C(=O)N2CCO[C@@H]3CCCC[C@H]32)co1 ZINC000120422599 436686485 /nfs/dbraw/zinc/68/64/85/436686485.db2.gz CHJCKIGJIGQHPI-VXGBXAGGSA-N 0 0 328.390 0.971 10 0 ECAERN COCCN1CCN(C(=O)[C@H](Cc2ccccc2)N(C)C)CC1=O ZINC000120467688 436688322 /nfs/dbraw/zinc/68/83/22/436688322.db2.gz FVQZZJKBDPLPNL-INIZCTEOSA-N 0 0 333.432 0.477 10 0 ECAERN CCNC(=O)N1CC[C@H](NC(=O)N2CCC[C@H](n3cncn3)C2)C1 ZINC000120503337 436690198 /nfs/dbraw/zinc/69/01/98/436690198.db2.gz GMQFFDWMSYBEAH-STQMWFEESA-N 0 0 335.412 0.428 10 0 ECAERN NC(=O)[C@@H]1CC(C(=O)N[C@H]2CCCC[C@@H]2CO)=NN1c1ccccc1 ZINC000150973072 436694488 /nfs/dbraw/zinc/69/44/88/436694488.db2.gz WAEGIZPSCOKVKI-INWMFGNUSA-N 0 0 344.415 0.774 10 0 ECAERN CN(C(=O)NCCN1CCOCC1)[C@H]1CCCN(c2cccnn2)C1 ZINC000151805017 436713368 /nfs/dbraw/zinc/71/33/68/436713368.db2.gz ZJCDRXYLIZCHFB-HNNXBMFYSA-N 0 0 348.451 0.419 10 0 ECAERN CCc1noc([C@H](C)N2CCN(S(=O)(=O)C[C@H](C)OC)CC2)n1 ZINC000195247459 436684633 /nfs/dbraw/zinc/68/46/33/436684633.db2.gz UNSFXIYJKQOUQY-RYUDHWBXSA-N 0 0 346.453 0.675 10 0 ECAERN CNS(=O)(=O)c1cc(C(=O)N2CC[C@@H](c3cnn(C)c3)C2)co1 ZINC000152179812 436723084 /nfs/dbraw/zinc/72/30/84/436723084.db2.gz IQWBQADTRUJESL-SNVBAGLBSA-N 0 0 338.389 0.551 10 0 ECAERN C[C@@H](C(=O)N(C)CC(=O)NC1CC1)N1CC[C@H](Oc2cccnc2)C1 ZINC000152301287 436725811 /nfs/dbraw/zinc/72/58/11/436725811.db2.gz QUYUFCBAYXFNFV-BBRMVZONSA-N 0 0 346.431 0.660 10 0 ECAERN CCC[C@H]1CN(C[C@H](O)CN2CCCC2=O)CC[N@@H+]1CCOC ZINC000121902142 436727835 /nfs/dbraw/zinc/72/78/35/436727835.db2.gz DUZLBXXCVLLKOA-HOTGVXAUSA-N 0 0 327.469 0.402 10 0 ECAERN COCCN(CCOC)C(=O)[C@H](C)N1C(=O)c2ccccc2C1=O ZINC000068324703 436741113 /nfs/dbraw/zinc/74/11/13/436741113.db2.gz RMGYNGBCUXCQSF-LBPRGKRZSA-N 0 0 334.372 0.793 10 0 ECAERN CC[C@@H]1CN(C(=O)CC2(CS(C)(=O)=O)CC2)CCN1C[C@H](C)O ZINC000245424843 436763219 /nfs/dbraw/zinc/76/32/19/436763219.db2.gz DBEGJFCDKUYEPV-UONOGXRCSA-N 0 0 346.493 0.505 10 0 ECAERN CC(C)Oc1cccc(CC(=O)NC[C@@H](O)CN2CCOCC2)c1 ZINC000128132899 436812093 /nfs/dbraw/zinc/81/20/93/436812093.db2.gz NTVGHJHZAOJPAN-MRXNPFEDSA-N 0 0 336.432 0.826 10 0 ECAERN CCS(=O)(=O)NCCNC(=O)N1CCC(c2ccnn2C)CC1 ZINC000156526379 436816289 /nfs/dbraw/zinc/81/62/89/436816289.db2.gz ZXGFPHQUSVINPI-UHFFFAOYSA-N 0 0 343.453 0.248 10 0 ECAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)NCCC(=O)N(C)C)C2)n1 ZINC000172123566 302581209 /nfs/dbraw/zinc/58/12/09/302581209.db2.gz QRCODOQSHVVDLU-AWEZNQCLSA-N 0 0 336.440 0.795 10 0 ECAERN CN1CCO[C@H](CNC(=O)NCc2ccc([S@@](C)=O)cc2)C1 ZINC000246593152 436783425 /nfs/dbraw/zinc/78/34/25/436783425.db2.gz VHNKDJDTIZXCPW-MCMMXHMISA-N 0 0 325.434 0.554 10 0 ECAERN C[C@H](NC(=O)c1ccoc1)C(=O)N1CCC[C@@H](Cn2cncn2)C1 ZINC000126810979 436793751 /nfs/dbraw/zinc/79/37/51/436793751.db2.gz WKWYISLNRZJMRQ-QWHCGFSZSA-N 0 0 331.376 0.928 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)Nc1cc(CCOC)nn1C)CC2 ZINC000127500448 436803867 /nfs/dbraw/zinc/80/38/67/436803867.db2.gz NZNCCAFHSAMBKN-LBPRGKRZSA-N 0 0 347.423 0.899 10 0 ECAERN CCOCCN1CCN(C(=O)N[C@H](C)C[S@](C)=O)C[C@H]1CC ZINC000248505229 436804439 /nfs/dbraw/zinc/80/44/39/436804439.db2.gz WADURQSMYKVLAA-SOHPYSCWSA-N 0 0 333.498 0.896 10 0 ECAERN CN1CCN(C2CCN(C(=O)c3cc(C4CC4)on3)CC2)C(=O)C1 ZINC000252549630 436837933 /nfs/dbraw/zinc/83/79/33/436837933.db2.gz RLIULUWUJPQUKZ-UHFFFAOYSA-N 0 0 332.404 0.931 10 0 ECAERN CCc1nnc(CN2CCN(c3cc(C)nc4ncnn43)CC2)[nH]1 ZINC000158310945 436842200 /nfs/dbraw/zinc/84/22/00/436842200.db2.gz RSALDHHGXSJGEO-UHFFFAOYSA-N 0 0 327.396 0.435 10 0 ECAERN [O-][N+]1=C2CCc3nonc3[C@]2(O)[C@H]2CCCC[C@]21N1CCOCC1 ZINC000253393676 436842415 /nfs/dbraw/zinc/84/24/15/436842415.db2.gz ZNUCGWWTSCYLAA-MAZHCROVSA-N 0 0 335.384 0.278 10 0 ECAERN C[C@@H]1CC[C@@H](C(=O)NCCS(=O)(=O)NCc2ccccc2)O1 ZINC000131744891 436858114 /nfs/dbraw/zinc/85/81/14/436858114.db2.gz PUESPRALDQMCLN-OCCSQVGLSA-N 0 0 326.418 0.790 10 0 ECAERN CCCC(=O)N[C@H]1CCCN(C(=O)CS(=O)(=O)CC(C)C)C1 ZINC000157072343 436823698 /nfs/dbraw/zinc/82/36/98/436823698.db2.gz GKJXIPXXYVOSKJ-ZDUSSCGKSA-N 0 0 332.466 0.965 10 0 ECAERN CC(=O)N[C@@H]1CCCN([C@H]2CC(=O)N(Cc3ccccc3)C2=O)C1 ZINC000249700685 436826127 /nfs/dbraw/zinc/82/61/27/436826127.db2.gz HBVKXEWXKPGCFJ-CVEARBPZSA-N 0 0 329.400 0.915 10 0 ECAERN CC(C)[C@@H](O)CC(=O)NCC(=O)N1CCN(c2ccccc2)CC1 ZINC000157961227 436835886 /nfs/dbraw/zinc/83/58/86/436835886.db2.gz YPPFWIONHQRYBR-INIZCTEOSA-N 0 0 333.432 0.858 10 0 ECAERN C[C@@H](CNC(=O)N[C@H]1CCN(c2ccccn2)C1)N1CCOCC1 ZINC000163584561 436926543 /nfs/dbraw/zinc/92/65/43/436926543.db2.gz NVZCRWCZIJKPEQ-GJZGRUSLSA-N 0 0 333.436 0.680 10 0 ECAERN O=C([C@@H]1CC(F)(F)CN1)N1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000263304223 436962312 /nfs/dbraw/zinc/96/23/12/436962312.db2.gz XNYJUSXCPLQOHD-QWRGUYRKSA-N 0 0 325.363 0.928 10 0 ECAERN CCc1ncc(S(=O)(=O)NC2CC([N@H+](CC)CC(=O)[O-])C2)s1 ZINC000263450484 436966450 /nfs/dbraw/zinc/96/64/50/436966450.db2.gz AIGRPXFQWFCWAW-UHFFFAOYSA-N 0 0 347.462 0.921 10 0 ECAERN C[C@@H]1OCC[C@@H]1S(=O)(=O)NC1CC([N@@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263509004 436969706 /nfs/dbraw/zinc/96/97/06/436969706.db2.gz WWGMMHIFVBTWCM-RSUZKEPVSA-N 0 0 346.449 0.411 10 0 ECAERN CN1CCO[C@@H](CNC(=O)CS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000171288641 436975517 /nfs/dbraw/zinc/97/55/17/436975517.db2.gz HMFDUNCXDJGVLM-LBPRGKRZSA-N 0 0 346.836 0.561 10 0 ECAERN CN1CCO[C@@H](CNC(=O)c2ccc(=O)n(-c3ccccc3)n2)C1 ZINC000171288338 436976932 /nfs/dbraw/zinc/97/69/32/436976932.db2.gz MKNBHQOHGGAPNL-AWEZNQCLSA-N 0 0 328.372 0.293 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)[C@@H](C(C)C)N2CCCC2=O)C1 ZINC000262797041 436941416 /nfs/dbraw/zinc/94/14/16/436941416.db2.gz LXRFVBXWAAXBLF-SEEARECTSA-N 0 0 339.436 0.687 10 0 ECAERN CS(=O)(=O)N(CC(=O)[O-])C[C@H]1CN(CC2CCCCC2)CCO1 ZINC000262881212 436943662 /nfs/dbraw/zinc/94/36/62/436943662.db2.gz FLCPNIIUWBWFGH-CQSZACIVSA-N 0 0 348.465 0.614 10 0 ECAERN C[N@@H+](CC(=O)[O-])C[C@@H]1CN(C(=O)[C@H]2CCc3ccccc32)CCO1 ZINC000263008670 436947705 /nfs/dbraw/zinc/94/77/05/436947705.db2.gz YFXVHUMVHZECPA-ZBFHGGJFSA-N 0 0 332.400 0.960 10 0 ECAERN CC(C)CCO[C@H](C)C(=O)N1CCO[C@@H](C[N@H+](C)CC(=O)[O-])C1 ZINC000263011839 436947929 /nfs/dbraw/zinc/94/79/29/436947929.db2.gz YTEVGAOJLMUTHF-KGLIPLIRSA-N 0 0 330.425 0.681 10 0 ECAERN C[N@@H+](CC(=O)[O-])C[C@H]1CN(C(=O)NCC2CCCCC2)CCO1 ZINC000263126857 436952603 /nfs/dbraw/zinc/95/26/03/436952603.db2.gz YMOHPMQYYVPIMX-AWEZNQCLSA-N 0 0 327.425 0.994 10 0 ECAERN C[C@](O)(CN1CCN(C(=O)C(=O)N2CCCC2)CC1)c1ccccc1 ZINC000170777073 436952683 /nfs/dbraw/zinc/95/26/83/436952683.db2.gz NSYPSKYILLZYGF-IBGZPJMESA-N 0 0 345.443 0.661 10 0 ECAERN C[C@H](CN1CCOCC1)N(Cc1ccccc1)C(=O)[C@H]1CNC(=O)C1 ZINC000170847273 436956394 /nfs/dbraw/zinc/95/63/94/436956394.db2.gz CHFNQQSRDCQDPG-NVXWUHKLSA-N 0 0 345.443 0.872 10 0 ECAERN O=C([C@@H]1CC(F)(F)CN1)N1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000263273263 436959579 /nfs/dbraw/zinc/95/95/79/436959579.db2.gz SMKJMDZMXPIDPH-ZDUSSCGKSA-N 0 0 341.333 0.994 10 0 ECAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)N[C@H]1CCc3ncnn3C1)CC2 ZINC000172604373 437022657 /nfs/dbraw/zinc/02/26/57/437022657.db2.gz YXNXZESZVFQUBE-NWDGAFQWSA-N 0 0 344.423 0.622 10 0 ECAERN O=C(CS(=O)(=O)C1CCCC1)N1CC[C@@H](N2CCOCC2)C1 ZINC000172750279 437027713 /nfs/dbraw/zinc/02/77/13/437027713.db2.gz MNDQRIZETBAQOE-CYBMUJFWSA-N 0 0 330.450 0.277 10 0 ECAERN CCCCCS(=O)(=O)CC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000172743135 437028111 /nfs/dbraw/zinc/02/81/11/437028111.db2.gz QZYCLKFJZYHAGJ-AWEZNQCLSA-N 0 0 332.466 0.525 10 0 ECAERN C[C@H](C(=O)N1CC[C@H](Oc2cccnc2N(C)C)C1)n1cncn1 ZINC000275585053 436987604 /nfs/dbraw/zinc/98/76/04/436987604.db2.gz JVKNQDIUQQHZJO-OLZOCXBDSA-N 0 0 330.392 0.980 10 0 ECAERN CCN1C[C@@H](C(=O)N2CCCN(Cc3noc(C)n3)CC2)CC1=O ZINC000171863889 436990198 /nfs/dbraw/zinc/99/01/98/436990198.db2.gz KMWNITYWXCQBAK-ZDUSSCGKSA-N 0 0 335.408 0.281 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)c2cn(Cc3cccs3)nn2)CC1 ZINC000173105867 437038385 /nfs/dbraw/zinc/03/83/85/437038385.db2.gz ABYYHBXDPCSDKV-CYBMUJFWSA-N 0 0 349.460 0.917 10 0 ECAERN CCc1nccn1[C@H]1CCCN(S(=O)(=O)CCS(C)(=O)=O)C1 ZINC000173172928 437042146 /nfs/dbraw/zinc/04/21/46/437042146.db2.gz KUSKXLSZPXZUAB-LBPRGKRZSA-N 0 0 349.478 0.457 10 0 ECAERN CNc1cc(N2CCC[C@H]2CNC(=O)CNCC(F)(F)F)ncn1 ZINC000173411965 437048465 /nfs/dbraw/zinc/04/84/65/437048465.db2.gz KARPAJIERGRSHZ-JTQLQIEISA-N 0 0 346.357 0.755 10 0 ECAERN CNc1cc(N2CCC[C@@H]2CNC(=O)[C@H](C)n2cncn2)ncn1 ZINC000173435688 437050222 /nfs/dbraw/zinc/05/02/22/437050222.db2.gz JMRCZUNHUDYEAJ-NWDGAFQWSA-N 0 0 330.396 0.456 10 0 ECAERN CCc1nnc([C@@H]2CN(C(=O)CCNC(=O)c3ccco3)CCO2)[nH]1 ZINC000173574261 437057952 /nfs/dbraw/zinc/05/79/52/437057952.db2.gz WKOBROXNVSOZFJ-LBPRGKRZSA-N 0 0 347.375 0.680 10 0 ECAERN O=C(NCc1nnc2n1CCCCC2)N1CC[C@@H](N2CCOCC2)C1 ZINC000173771180 437064527 /nfs/dbraw/zinc/06/45/27/437064527.db2.gz JVXMFNZMKWCOBK-CQSZACIVSA-N 0 0 348.451 0.621 10 0 ECAERN COc1ccccc1CCNC(=O)CN1CC[C@H](N2CCOCC2)C1 ZINC000173925451 437069064 /nfs/dbraw/zinc/06/90/64/437069064.db2.gz AIQPFVUHUBJMEB-KRWDZBQOSA-N 0 0 347.459 0.760 10 0 ECAERN Cc1cc(C)n(C[C@H]2CN(C(=O)NCc3noc(C)n3)CCO2)n1 ZINC000175694991 437111490 /nfs/dbraw/zinc/11/14/90/437111490.db2.gz MANVBFNFCJPGSB-CYBMUJFWSA-N 0 0 334.380 0.802 10 0 ECAERN CC(C)NC(=O)CCNC(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000175653811 437112707 /nfs/dbraw/zinc/11/27/07/437112707.db2.gz LVVOTYYQVBOXTH-ZIAGYGMSSA-N 0 0 326.441 0.263 10 0 ECAERN CCC1(CC)CN(c2ncccc2S(N)(=O)=O)CC[S@]1=O ZINC000302228368 437142036 /nfs/dbraw/zinc/14/20/36/437142036.db2.gz VOYQUJBBXSNDHW-HXUWFJFHSA-N 0 0 331.463 0.857 10 0 ECAERN CC(C)CS(=O)(=O)CC(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000176453462 437143581 /nfs/dbraw/zinc/14/35/81/437143581.db2.gz HJARBHMMDIOPHY-AWEZNQCLSA-N 0 0 348.509 0.608 10 0 ECAERN Cc1cc([C@](C)(O)CNC(=O)NC[C@H]2CN(C)CCO2)c(C)o1 ZINC000176433197 437145012 /nfs/dbraw/zinc/14/50/12/437145012.db2.gz WEQNWOPNHARWJE-XJKSGUPXSA-N 0 0 325.409 0.734 10 0 ECAERN CC(C)n1nnnc1C[S@@](=O)CC(=O)NCc1ccccc1F ZINC000176571994 437148332 /nfs/dbraw/zinc/14/83/32/437148332.db2.gz DQXXKUACYAQSKC-HSZRJFAPSA-N 0 0 339.396 0.958 10 0 ECAERN Cc1oc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1S(=O)(=O)N(C)C ZINC000176622228 437150550 /nfs/dbraw/zinc/15/05/50/437150550.db2.gz CKTWRVAFXODQOQ-GFCCVEGCSA-N 0 0 341.433 0.759 10 0 ECAERN COc1ncnc2c1CN(c1cc(N3CCOCC3)ncn1)CC2 ZINC000302882536 437154479 /nfs/dbraw/zinc/15/44/79/437154479.db2.gz IUYDCYPZFHPNIZ-UHFFFAOYSA-N 0 0 328.376 0.675 10 0 ECAERN Cc1nc(C)c(S(=O)(=O)N2CC[C@H](N3CCOCC3)C2)s1 ZINC000176945436 437163179 /nfs/dbraw/zinc/16/31/79/437163179.db2.gz TWAKVDVAGAWOPH-LBPRGKRZSA-N 0 0 331.463 0.855 10 0 ECAERN C[C@H]1CN(C(=O)NCCCc2cnn(C)c2)C[C@@H]1N1CCOCC1 ZINC000175748698 437115290 /nfs/dbraw/zinc/11/52/90/437115290.db2.gz SMJXYPMGTQFYEY-HOCLYGCPSA-N 0 0 335.452 0.715 10 0 ECAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)NCCN1CCOC(C)(C)C1 ZINC000175741540 437115975 /nfs/dbraw/zinc/11/59/75/437115975.db2.gz BTCRKUAIPPCJCR-ZDUSSCGKSA-N 0 0 336.440 0.831 10 0 ECAERN COc1ccccc1C(=O)NCC(=O)N[C@@H]1CCCn2ncnc21 ZINC000175821656 437117558 /nfs/dbraw/zinc/11/75/58/437117558.db2.gz IJQYAVIDTSILCZ-GFCCVEGCSA-N 0 0 329.360 0.668 10 0 ECAERN CCS(=O)(=O)NCCNC(=O)N1CCC[C@H]1Cn1ccnc1C ZINC000175817301 437119118 /nfs/dbraw/zinc/11/91/18/437119118.db2.gz RZIAZAIJBANWME-ZDUSSCGKSA-N 0 0 343.453 0.305 10 0 ECAERN CCc1cc(=O)n2nc(N[C@@H]3CC(=O)N(C(C)C)C3=O)sc2n1 ZINC000301498090 437122967 /nfs/dbraw/zinc/12/29/67/437122967.db2.gz VIFBLXGULCRZIR-SECBINFHSA-N 0 0 335.389 0.661 10 0 ECAERN CC(C)C(=O)N[C@@H]1CCCN(c2ncccc2S(N)(=O)=O)C1 ZINC000301543202 437126891 /nfs/dbraw/zinc/12/68/91/437126891.db2.gz CRELWNKQVKFGAY-LLVKDONJSA-N 0 0 326.422 0.470 10 0 ECAERN CCS(=O)(=O)N1CCN(c2cncc(-n3ccnc3C)n2)CC1 ZINC000301833904 437133523 /nfs/dbraw/zinc/13/35/23/437133523.db2.gz VHHWZEUAORJPRS-UHFFFAOYSA-N 0 0 336.421 0.442 10 0 ECAERN Cc1nccn1-c1cncc(N2CCCN(S(C)(=O)=O)CC2)n1 ZINC000301818545 437133673 /nfs/dbraw/zinc/13/36/73/437133673.db2.gz KPEBMPQNUPVNBF-UHFFFAOYSA-N 0 0 336.421 0.442 10 0 ECAERN COC(=O)Cn1ncc2c1ncnc2NCc1ccnc2ccnn21 ZINC000302013809 437136650 /nfs/dbraw/zinc/13/66/50/437136650.db2.gz BJKAYYJSKSHVEP-UHFFFAOYSA-N 0 0 338.331 0.654 10 0 ECAERN Cc1oc(-c2cnn(C)c2)nc1C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000177500112 437187662 /nfs/dbraw/zinc/18/76/62/437187662.db2.gz RQCRYYCIIFKXCF-CQSZACIVSA-N 0 0 345.403 0.930 10 0 ECAERN CNC(=O)[C@H](NC(=O)N1CCC[C@H](C(=O)NCC2CC2)C1)C(C)C ZINC000178399223 437215114 /nfs/dbraw/zinc/21/51/14/437215114.db2.gz WNEZAIAVOPXXTA-UONOGXRCSA-N 0 0 338.452 0.705 10 0 ECAERN Cn1cc([C@H]2[C@H](CN=c3ncnc4[nH][nH]cc3-4)CC(=O)N2C)cn1 ZINC000328608722 437239200 /nfs/dbraw/zinc/23/92/00/437239200.db2.gz BCCKAMGWVKSLEB-TVQRCGJNSA-N 0 0 326.364 0.091 10 0 ECAERN CN(CC(=O)N1CCO[C@H](c2nncn2C)C1)Cc1ccccc1 ZINC000328620438 437241583 /nfs/dbraw/zinc/24/15/83/437241583.db2.gz GZWPDHBNECRPEZ-HNNXBMFYSA-N 0 0 329.404 0.847 10 0 ECAERN CCN1CCN(C(=O)CCc2ccnn2C)C[C@@H]1c1nccn1C ZINC000328632197 437243855 /nfs/dbraw/zinc/24/38/55/437243855.db2.gz RSOSYMCLQXJYJJ-OAHLLOKOSA-N 0 0 330.436 0.992 10 0 ECAERN Cn1cnnc1[C@@H]1CN(C[C@H](O)COc2ccc(F)cc2)CCO1 ZINC000328631583 437243987 /nfs/dbraw/zinc/24/39/87/437243987.db2.gz KRVALEHFJVCETG-ZFWWWQNUSA-N 0 0 336.367 0.767 10 0 ECAERN CCc1nn(C)c(OC)c1CN1CCC[C@@H]1c1nc(C(N)=O)no1 ZINC000328631714 437245178 /nfs/dbraw/zinc/24/51/78/437245178.db2.gz KTZRHFRCJOGCLW-LLVKDONJSA-N 0 0 334.380 0.810 10 0 ECAERN O=C(CN1C[C@@H](O)C[C@@H]1CO)N1CCC(Cc2ccccc2)CC1 ZINC000179173255 437252682 /nfs/dbraw/zinc/25/26/82/437252682.db2.gz YRYHSCDRCLDTKA-MSOLQXFVSA-N 0 0 332.444 0.895 10 0 ECAERN CNC(=O)c1ccc(N(C)[C@@H]2CCCN(c3cccnn3)C2)nn1 ZINC000266843512 437253804 /nfs/dbraw/zinc/25/38/04/437253804.db2.gz NVYNQFTXHPVEPR-GFCCVEGCSA-N 0 0 327.392 0.731 10 0 ECAERN O=C(N[C@H]1CC[C@H](O)CC1)N1CC[C@@H](Nc2ccc3nccn3n2)C1 ZINC000333168483 437261004 /nfs/dbraw/zinc/26/10/04/437261004.db2.gz PFLQTIUKBHJGGF-MCIONIFRSA-N 0 0 344.419 1.229 10 0 ECAERN O=C(Nc1cccnc1Cl)C(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000179844862 437276053 /nfs/dbraw/zinc/27/60/53/437276053.db2.gz QPLRYVFYDVAQJV-NSHDSACASA-N 0 0 349.778 0.798 10 0 ECAERN CN1CCN(C(=O)CCNC(=O)N2CCCC[C@@H]2c2cn[nH]c2)CC1 ZINC000182327356 437346279 /nfs/dbraw/zinc/34/62/79/437346279.db2.gz KTVVYRJHMLISRH-OAHLLOKOSA-N 0 0 348.451 0.810 10 0 ECAERN CCN(CC1CC1)S(=O)(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000183961937 437394199 /nfs/dbraw/zinc/39/41/99/437394199.db2.gz SVQOXNMJATYNIM-DZGCQCFKSA-N 0 0 331.482 0.616 10 0 ECAERN COCC(=O)NC1CN(C(=O)c2ccc(-c3ccco3)[nH]c2=O)C1 ZINC000186309755 437470543 /nfs/dbraw/zinc/47/05/43/437470543.db2.gz GFTFOALDYDVCLC-UHFFFAOYSA-N 0 0 331.328 0.222 10 0 ECAERN CN1CCO[C@@H](CNS(=O)(=O)c2c[nH]c3cccc(F)c32)C1 ZINC000186618228 437479312 /nfs/dbraw/zinc/47/93/12/437479312.db2.gz YQIXJDZOUKJFJM-JTQLQIEISA-N 0 0 327.381 0.916 10 0 ECAERN COCC(=O)NC1CN(C(=O)Cc2ccc(Br)cc2)C1 ZINC000185258142 437433230 /nfs/dbraw/zinc/43/32/30/437433230.db2.gz AHWBCNYBWFDUQW-UHFFFAOYSA-N 0 0 341.205 0.965 10 0 ECAERN CCN(C)C(=O)CNC(=O)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000186181592 437464635 /nfs/dbraw/zinc/46/46/35/437464635.db2.gz WSUFYLSEQKPLCR-INIZCTEOSA-N 0 0 348.447 0.526 10 0 ECAERN CCCNC(=O)NC(=O)CN1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000188082540 437524282 /nfs/dbraw/zinc/52/42/82/437524282.db2.gz ZFGQJWOROVFUKP-STQMWFEESA-N 0 0 325.434 0.992 10 0 ECAERN C[C@@H]1C(=O)NCCCN1C(=O)CCCc1ccc2[nH]c(=O)[nH]c2c1 ZINC000188065122 437525368 /nfs/dbraw/zinc/52/53/68/437525368.db2.gz MLMXQTHOUOIDJC-LLVKDONJSA-N 0 0 330.388 0.916 10 0 ECAERN CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccn([C@@H](C)COC)n2)C1 ZINC000188570457 437557302 /nfs/dbraw/zinc/55/73/02/437557302.db2.gz ORGVTNRGVUIZEI-STQMWFEESA-N 0 0 337.424 0.630 10 0 ECAERN CC(=O)NC1CN(S(=O)(=O)c2c[nH]c3nccc(Cl)c23)C1 ZINC000188555153 437557735 /nfs/dbraw/zinc/55/77/35/437557735.db2.gz TYCXLJCJHIHMRH-UHFFFAOYSA-N 0 0 328.781 0.725 10 0 ECAERN CC(=O)NC1CN(C(=O)[C@H](Cc2ccccc2)n2nnnc2C)C1 ZINC000190527760 437628068 /nfs/dbraw/zinc/62/80/68/437628068.db2.gz UMJPOXYOFHXMMT-HNNXBMFYSA-N 0 0 328.376 0.112 10 0 ECAERN COc1ccncc1NC(=O)C(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000190763901 437638762 /nfs/dbraw/zinc/63/87/62/437638762.db2.gz OJLRLPVWTVTCMD-GFCCVEGCSA-N 0 0 329.360 0.916 10 0 ECAERN CCn1cc([C@H]2CN(CC(=O)N(C)Cc3cnn(C)c3)CCO2)cn1 ZINC000190780719 437639634 /nfs/dbraw/zinc/63/96/34/437639634.db2.gz DQXIAEPTPBSGMW-MRXNPFEDSA-N 0 0 346.435 0.668 10 0 ECAERN C[C@H](CNC(=O)C(=O)Nc1ccnn1[C@@H](C)C1CC1)N1CCOCC1 ZINC000191976282 437656999 /nfs/dbraw/zinc/65/69/99/437656999.db2.gz DWGAQGFYTLIDFD-OLZOCXBDSA-N 0 0 349.435 0.630 10 0 ECAERN Cc1nc(Cl)ccc1NC(=O)C(=O)NC[C@@H](C)N1CCOCC1 ZINC000192561793 437681851 /nfs/dbraw/zinc/68/18/51/437681851.db2.gz YMYKDSGAXCASNV-SNVBAGLBSA-N 0 0 340.811 0.819 10 0 ECAERN Cc1c(C(=O)N2CCOC[C@@H]2C(N)=O)nnn1Cc1ccc(F)cc1 ZINC000192650991 437686422 /nfs/dbraw/zinc/68/64/22/437686422.db2.gz NAEWSGJRMJXABK-CYBMUJFWSA-N 0 0 347.350 0.100 10 0 ECAERN Cc1nc(NC(=O)C(=O)N2CCN(C[C@@H](C)O)[C@@H](C)C2)sc1C ZINC000193103899 437702119 /nfs/dbraw/zinc/70/21/19/437702119.db2.gz WNKJKJAZBCWLPB-VHSXEESVSA-N 0 0 340.449 0.612 10 0 ECAERN C[C@H](NC(=O)C(=O)Nc1ccccc1-n1ccnn1)[C@@H]1CCCO1 ZINC000193620032 437711538 /nfs/dbraw/zinc/71/15/38/437711538.db2.gz FILBQHWGTVUEQV-FZMZJTMJSA-N 0 0 329.360 0.890 10 0 ECAERN CC[C@@]1(CO)CCCN(C(=O)[C@H]2C[C@H](OC)CN2S(C)(=O)=O)C1 ZINC000370507938 437793431 /nfs/dbraw/zinc/79/34/31/437793431.db2.gz KFFFEOXRIYDCOH-GZBFAFLISA-N 0 0 348.465 0.046 10 0 ECAERN CC(=O)N1CSC[C@@H]1C(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000371815311 437996299 /nfs/dbraw/zinc/99/62/99/437996299.db2.gz SFRAJIMHHUTPIX-FPMFFAJLSA-N 0 0 327.450 0.087 10 0 ECAERN CNC(=O)CC(=O)N1CCOC[C@@H]1c1ncnn1-c1ccccc1 ZINC000367633573 438229833 /nfs/dbraw/zinc/22/98/33/438229833.db2.gz ILIMALJBURRECL-CYBMUJFWSA-N 0 0 329.360 0.303 10 0 ECAERN C[C@@H]1C[C@@H](O)CN(C(=O)Cn2cc(Br)ccc2=O)C1 ZINC000401897441 438462140 /nfs/dbraw/zinc/46/21/40/438462140.db2.gz LDUMTSWYUCXDQL-MWLCHTKSSA-N 0 0 329.194 0.840 10 0 ECAERN Cn1ccnc1[C@H]1[C@H](CNc2ncnc3[nH]ccc32)CC(=O)N1C ZINC000578212398 438905515 /nfs/dbraw/zinc/90/55/15/438905515.db2.gz PZVNCBUJRBSJAY-GXFFZTMASA-N 0 0 325.376 1.323 10 0 ECAERN C[C@H](O)CNS(=O)(=O)C[C@H]1CCCN(C(=O)c2cccs2)C1 ZINC000521396716 439118669 /nfs/dbraw/zinc/11/86/69/439118669.db2.gz WAYLZOSEELZMNA-RYUDHWBXSA-N 0 0 346.474 0.901 10 0 ECAERN CN1C[C@H](NC(=O)CN2CCC(=O)NC2=O)CC[C@@H]1C(F)(F)F ZINC000583620021 439487698 /nfs/dbraw/zinc/48/76/98/439487698.db2.gz JJOYSJBSTIIGBT-RKDXNWHRSA-N 0 0 336.314 0.070 10 0 ECAERN CCOC(=O)C1=NN=C2C=CC(I)=CN2[C@@H]1O ZINC000585656142 439642169 /nfs/dbraw/zinc/64/21/69/439642169.db2.gz IBSBZCPGTXVFQM-SECBINFHSA-N 0 0 347.112 0.784 10 0 ECAERN CNC(=O)[C@]1(COC)CCCN1C(=O)c1cnn(-c2ccncc2)c1 ZINC000643946824 440387986 /nfs/dbraw/zinc/38/79/86/440387986.db2.gz LHRFARRXYZDKTN-QGZVFWFLSA-N 0 0 343.387 0.635 10 0 ECAERN Cn1ccnc1[C@@H]1OCC[C@H]1CNS(=O)(=O)c1ccnn1C ZINC000659999866 440563970 /nfs/dbraw/zinc/56/39/70/440563970.db2.gz XUWHACIILIERBL-CMPLNLGQSA-N 0 0 325.394 0.210 10 0 ECAERN O=C(CN1CCCC[C@@H](O)C1=O)NCc1nccn1-c1ccccc1 ZINC000644449653 440598980 /nfs/dbraw/zinc/59/89/80/440598980.db2.gz NYZISFVSPQWURU-OAHLLOKOSA-N 0 0 342.399 0.862 10 0 ECAERN CC(=O)NCCCNC(=O)[C@H]1CC[C@H](C(=O)[O-])N1Cc1ccccc1 ZINC000630660816 440935102 /nfs/dbraw/zinc/93/51/02/440935102.db2.gz ZABLCLNSBTUTNH-HZPDHXFCSA-N 0 0 347.415 0.747 10 0 ECAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)NCCC(=O)N(C)C)CCO2)n1 ZINC000171902058 320515431 /nfs/dbraw/zinc/51/54/31/320515431.db2.gz PTEPWWHUBNZGDQ-AWEZNQCLSA-N 0 0 337.424 0.389 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)N[C@H]2CCN(C(C)C)C2=O)CC1 ZINC000181768301 320527744 /nfs/dbraw/zinc/52/77/44/320527744.db2.gz DWBWRUWOIQNCTA-KBPBESRZSA-N 0 0 326.441 0.094 10 0 ECAERN CO[C@@H](C)CS(=O)(=O)N1CCO[C@H](Cn2nc(C)cc2C)C1 ZINC000249447462 320546466 /nfs/dbraw/zinc/54/64/66/320546466.db2.gz FVWHUXQEOMZGFJ-KBPBESRZSA-N 0 0 331.438 0.565 10 0 ECAERN CC(C)c1nnc2n1CCN([C@@H]1CCN(C3CCOCC3)C1=O)C2 ZINC000328643663 320724846 /nfs/dbraw/zinc/72/48/46/320724846.db2.gz GLEAESWTOVQXHV-CQSZACIVSA-N 0 0 333.436 0.997 10 0 ECAERN COCCN1CN(C(=O)c2cccc(C(=O)N3CCCC3)n2)CC1=O ZINC000328727147 320729559 /nfs/dbraw/zinc/72/95/59/320729559.db2.gz CZMNVQKTZKQROH-UHFFFAOYSA-N 0 0 346.387 0.206 10 0 ECAERN CC(C)(C(=O)N1CCN(Cc2ccon2)CC1)S(=O)(=O)C1CC1 ZINC000328843319 320736121 /nfs/dbraw/zinc/73/61/21/320736121.db2.gz WGHUOWMAJLSGHL-UHFFFAOYSA-N 0 0 341.433 0.675 10 0 ECAERN Cc1ccnc2nc(C(=O)N3CC[C@@H](N4CCOCC4)[C@H]3C)nn21 ZINC000329564620 320778601 /nfs/dbraw/zinc/77/86/01/320778601.db2.gz KFEVPSPKALWFMC-CHWSQXEVSA-N 0 0 330.392 0.368 10 0 ECAERN Cc1cc(C)n2nc(CC(=O)N3C[C@H](C)O[C@]4(CCOC4)C3)nc2n1 ZINC000330024818 320800965 /nfs/dbraw/zinc/80/09/65/320800965.db2.gz AMEDDWMNAVTCKE-SUMWQHHRSA-N 0 0 345.403 0.690 10 0 ECAERN NC(=O)c1cccnc1N1CCN([C@H]2CCN(C3CC3)C2=O)CC1 ZINC000330153093 320807495 /nfs/dbraw/zinc/80/74/95/320807495.db2.gz MMFNXRWBGVTBGD-AWEZNQCLSA-N 0 0 329.404 0.066 10 0 ECAERN Cc1ccc2oc(N3CCN(CCCS(N)(=O)=O)CC3)nc2c1 ZINC000171560001 534539772 /nfs/dbraw/zinc/53/97/72/534539772.db2.gz GPNNLFGJQSPRSJ-UHFFFAOYSA-N 0 0 338.433 0.937 10 0 ECAERN CC(=O)N(CCc1ccccc1)CC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000153034976 526490418 /nfs/dbraw/zinc/49/04/18/526490418.db2.gz TXGJFPWNQUHLCI-MRXNPFEDSA-N 0 0 341.415 0.800 10 0 ECAERN CC(=O)N1CC(C(=O)N2CCN(C[C@H](O)c3ccccc3)CC2)C1 ZINC000191830548 526514698 /nfs/dbraw/zinc/51/46/98/526514698.db2.gz AZAYOQDHUSLBNV-KRWDZBQOSA-N 0 0 331.416 0.343 10 0 ECAERN CC(=O)NC1CN(C(=O)CS(=O)(=O)CCCc2ccccc2)C1 ZINC000191495053 526706508 /nfs/dbraw/zinc/70/65/08/526706508.db2.gz YMVQJEWYQUKLNN-UHFFFAOYSA-N 0 0 338.429 0.381 10 0 ECAERN CC(=O)NC1CN(C(=O)NC[C@@H]2CC(=O)N(Cc3ccccc3)C2)C1 ZINC000190291195 526708068 /nfs/dbraw/zinc/70/80/68/526708068.db2.gz RHBPEGXNMUKONM-HNNXBMFYSA-N 0 0 344.415 0.565 10 0 ECAERN CC(C)(C)c1ccc(S(=O)(=O)N2CCOC[C@@H]2C(N)=O)s1 ZINC000183353920 526786597 /nfs/dbraw/zinc/78/65/97/526786597.db2.gz CHXGHYJMVUVLST-SECBINFHSA-N 0 0 332.447 0.920 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)[C@@H]2CC(c3cccnc3)=NO2)CC1 ZINC000191389002 529228147 /nfs/dbraw/zinc/22/81/47/529228147.db2.gz ALLITFVDJSEBHJ-ZBFHGGJFSA-N 0 0 332.404 0.490 10 0 ECAERN Cc1c(NC(=O)NC[C@@H](O)CN2CCOCC2)cccc1N(C)C ZINC000180176116 545882510 /nfs/dbraw/zinc/88/25/10/545882510.db2.gz GOZCWDFZHFVMLC-CQSZACIVSA-N 0 0 336.436 0.876 10 0 ECAERN O=C(NC[C@H](O)CN1CCOCC1)Nc1cc(C(F)(F)F)ccn1 ZINC000192420055 545910088 /nfs/dbraw/zinc/91/00/88/545910088.db2.gz LWXHSPMXHRCHLF-NSHDSACASA-N 0 0 348.325 0.915 10 0 ECAERN CO[C@@H]1C[C@@H](CO)N(C(=O)NC[C@@H]2CCCO[C@H]2c2cn[nH]c2)C1 ZINC000624895509 546990186 /nfs/dbraw/zinc/99/01/86/546990186.db2.gz OPYXILFOAYCSHM-SPWCGHHHSA-N 0 0 338.408 0.669 10 0 ECAERN CCn1cc(O[C@@H]2CN(S(=O)(=O)c3ccccn3)C[C@H]2O)cn1 ZINC000625317156 547069066 /nfs/dbraw/zinc/06/90/66/547069066.db2.gz FZFYXJLMFOZHLS-CHWSQXEVSA-N 0 0 338.389 0.111 10 0 ECAERN CN1CCS(=O)(=O)C[C@H]1CC(=O)N1CCC(=O)C[C@H]1C1CC1 ZINC000891810700 586197661 /nfs/dbraw/zinc/19/76/61/586197661.db2.gz VROJNPZPONWXMY-OCCSQVGLSA-N 0 0 328.434 0.075 10 0 ECAERN CN(Cc1ccco1)C(=O)CN1CCC[C@](O)(Cc2nncn2C)C1 ZINC000888077156 586245930 /nfs/dbraw/zinc/24/59/30/586245930.db2.gz OGXCLFQIHFRJIU-KRWDZBQOSA-N 0 0 347.419 0.436 10 0 ECAERN Cn1ncc(C(=O)N[C@H]2C[C@@H](O)[C@@H]2n2cccn2)c1-n1cccc1 ZINC000888077216 586245989 /nfs/dbraw/zinc/24/59/89/586245989.db2.gz TUISELVMFGWIME-BFHYXJOUSA-N 0 0 326.360 0.512 10 0 ECAERN Cn1ccnc1[C@@H]1NC(=O)CC[C@H]1NC(=O)c1ncc(F)cc1F ZINC000888078960 586246306 /nfs/dbraw/zinc/24/63/06/586246306.db2.gz NJBGHGIJJSTJFL-ZWNOBZJWSA-N 0 0 335.314 0.843 10 0 ECAERN COc1ccc(C2(NC(=O)c3cn([C@@H]4COC[C@H]4O)nn3)CC2)cc1 ZINC000888093822 586348428 /nfs/dbraw/zinc/34/84/28/586348428.db2.gz VWUOJYVCJVIOJY-HUUCEWRRSA-N 0 0 344.371 0.638 10 0 ECAERN Cc1nc2ccnn2cc1C(=O)N[C@H]1COC[C@H]1Oc1cnn(C)c1 ZINC000888093559 586348497 /nfs/dbraw/zinc/34/84/97/586348497.db2.gz GMWIANYZWRJKIV-UONOGXRCSA-N 0 0 342.359 0.347 10 0 ECAERN CCOc1ccc(C(=O)N[C@H]2COC[C@H]2Oc2cnn(C)c2)cn1 ZINC000888094275 586348952 /nfs/dbraw/zinc/34/89/52/586348952.db2.gz HEAPTBVBBLXHSJ-UONOGXRCSA-N 0 0 332.360 0.790 10 0 ECAERN CCn1cc(O[C@@H]2CCC[C@@H]2NC(=O)CN2CC(=O)N(C)C2=O)cn1 ZINC000888094714 586349116 /nfs/dbraw/zinc/34/91/16/586349116.db2.gz IEMLVFBMRKKJAS-QWHCGFSZSA-N 0 0 349.391 0.213 10 0 ECAERN CCc1nnc2n1C[C@H](NC(=O)CCN1C(=O)C(C)=C(C)C1=O)CC2 ZINC000900479138 586634717 /nfs/dbraw/zinc/63/47/17/586634717.db2.gz SBUOYGGCTQVHFD-GFCCVEGCSA-N 0 0 345.403 0.367 10 0 ECAERN O=C(c1ccnc(Cl)c1Cl)N1CC[C@@]2(C1)NC(=O)NC2=O ZINC000900766760 586662652 /nfs/dbraw/zinc/66/26/52/586662652.db2.gz QOYUUZARJZYYBH-LBPRGKRZSA-N 0 0 329.143 0.813 10 0 ECAERN C[C@@H]1OCC[C@@H]1NC(=O)CSc1ccc(S(N)(=O)=O)cc1 ZINC000901264251 586705448 /nfs/dbraw/zinc/70/54/48/586705448.db2.gz YXBTUJHIOOLQAP-CABZTGNLSA-N 0 0 330.431 0.720 10 0 ECAERN COCC(=O)NC1CN(C(=O)[C@@H]2CSC(c3ccccc3)=N2)C1 ZINC000907504730 586725668 /nfs/dbraw/zinc/72/56/68/586725668.db2.gz GCXUZTWPRPTRJL-ZDUSSCGKSA-N 0 0 333.413 0.522 10 0 ECAERN COc1ccc(C)cc1CCNC(=O)[C@H]1Cn2c(C)nnc2CN1 ZINC000818047785 587398636 /nfs/dbraw/zinc/39/86/36/587398636.db2.gz DFBCUFILDKTHAE-CQSZACIVSA-N 0 0 329.404 0.734 10 0 ECAERN Cn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2cccc3c2OCO3)cn1 ZINC000862925522 589974947 /nfs/dbraw/zinc/97/49/47/589974947.db2.gz MUOPVCZCXOOLEL-GXTWGEPZSA-N 0 0 331.328 0.725 10 0 ECAERN COc1ncncc1CN1CC(N2C[C@@H](c3nc(C)no3)CC2=O)C1 ZINC000864313715 590068977 /nfs/dbraw/zinc/06/89/77/590068977.db2.gz WBLZCDZJJBCSQJ-NSHDSACASA-N 0 0 344.375 0.377 10 0 ECAERN C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)Nc1ccnn1C ZINC000125614854 590336785 /nfs/dbraw/zinc/33/67/85/590336785.db2.gz LBFYNCFYDCZCAT-SECBINFHSA-N 0 0 333.373 0.486 10 0 ECAERN CCN1CCO[C@@H](CNC(=O)Cc2ccc[nH]2)[C@@H]1c1nccn1C ZINC000886027054 590786797 /nfs/dbraw/zinc/78/67/97/590786797.db2.gz BROXWLUZZYQZCT-GOEBONIOSA-N 0 0 331.420 0.869 10 0 ECAERN NC(=O)[C@]1(N2CCN(Cc3ccnn3C3CCCC3)CC2)CCOC1 ZINC000886026753 590787072 /nfs/dbraw/zinc/78/70/72/590787072.db2.gz WKPSJMZKUJHDDC-SFHVURJKSA-N 0 0 347.463 0.760 10 0 ECAERN CO[C@@H]1CN(CC(=O)N2CCc3ccccc32)C[C@H]1c1cn(C)nn1 ZINC000886072044 590790042 /nfs/dbraw/zinc/79/00/42/590790042.db2.gz LMVKLYZJKCMQKN-WMLDXEAASA-N 0 0 341.415 0.819 10 0 ECAERN COc1ncccc1CCNC(=O)[C@H]1Cn2c(C)nnc2CN1C ZINC000886077524 590790602 /nfs/dbraw/zinc/79/06/02/590790602.db2.gz DYHHAHFDNVMXIM-CYBMUJFWSA-N 0 0 330.392 0.163 10 0 ECAERN CO[C@@H]1CCCCN(CC(=O)N2CCN(c3ncccn3)CC2)C1=O ZINC000886075278 590790773 /nfs/dbraw/zinc/79/07/73/590790773.db2.gz HGPLVLORWXPKGO-CQSZACIVSA-N 0 0 347.419 0.153 10 0 ECAERN CN(C)c1cc[nH+]cc1C(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC000886077533 590790785 /nfs/dbraw/zinc/79/07/85/590790785.db2.gz GIGHXWHYSWIVBR-QGZVFWFLSA-N 0 0 348.403 0.149 10 0 ECAERN CCS(=O)(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1nccn1C ZINC000886080353 590792600 /nfs/dbraw/zinc/79/26/00/590792600.db2.gz NNJREQJTHATPOB-DGCLKSJQSA-N 0 0 326.422 0.554 10 0 ECAERN Cn1ccnc1[C@H]1[C@H](NC(=O)c2cnn(C)n2)CCC(=O)N1C1CC1 ZINC000886085072 590793445 /nfs/dbraw/zinc/79/34/45/590793445.db2.gz ZJMSPXLXPFPXIV-BXUZGUMPSA-N 0 0 343.391 0.173 10 0 ECAERN Cn1cnnc1C[C@]1(O)CCCN(C(=O)c2ccc3[nH]cnc3c2)C1 ZINC000886094974 590794583 /nfs/dbraw/zinc/79/45/83/590794583.db2.gz IZZZFWULPVAJSM-QGZVFWFLSA-N 0 0 340.387 0.901 10 0 ECAERN Cc1ccc(C)c(C(=O)N2CCN([C@@]3(C(N)=O)CCOC3)CC2)c1 ZINC000886096691 590795256 /nfs/dbraw/zinc/79/52/56/590795256.db2.gz IUXUIOUVDJHLJG-SFHVURJKSA-N 0 0 331.416 0.706 10 0 ECAERN CC(C)CN1N=C(C(=O)N[C@@H]2C[C@@H](O)C23CCOCC3)CCC1=O ZINC000887005042 590918010 /nfs/dbraw/zinc/91/80/10/590918010.db2.gz AXHCMEAQGQVIHG-ZIAGYGMSSA-N 0 0 337.420 0.667 10 0 ECAERN Cc1cnn(C[C@@H]2CN(C(=O)NCCc3ccnn3C)CCO2)c1 ZINC000186722389 611397339 /nfs/dbraw/zinc/39/73/39/611397339.db2.gz OPRWDLKGTHRRQK-HNNXBMFYSA-N 0 0 332.408 0.578 10 0 ECAERN CO[C@H]1CC(=O)N(CN2CCN(C[C@@H](O)c3ccccc3)CC2)C1 ZINC000189145149 611505211 /nfs/dbraw/zinc/50/52/11/611505211.db2.gz PEKUJMJNSSWJJF-DLBZAZTESA-N 0 0 333.432 0.542 10 0 ECAERN Cc1noc(CO[C@@H]2CCCN(S(=O)(=O)c3cn(C)cn3)C2)n1 ZINC000075403297 611675257 /nfs/dbraw/zinc/67/52/57/611675257.db2.gz BFMPCEHXEDBMRI-LLVKDONJSA-N 0 0 341.393 0.481 10 0 ECAERN Cc1nonc1CN1CCN(C(=O)c2cc(OC(C)C)n(C)n2)CC1 ZINC000222309247 609022296 /nfs/dbraw/zinc/02/22/96/609022296.db2.gz GJDYKLOBNSGSND-UHFFFAOYSA-N 0 0 348.407 0.857 10 0 ECAERN CCc1nn(C)c(Cl)c1CN1CCN(C(=O)CC(=O)NC)CC1 ZINC000185387027 609119542 /nfs/dbraw/zinc/11/95/42/609119542.db2.gz GBHZSEVYDILAIK-UHFFFAOYSA-N 0 0 341.843 0.416 10 0 ECAERN CC(C)(C)OC(=O)[C@@]1(C(=O)N2CC(N3CCNC3=O)C2)CCCO1 ZINC000908185799 609646503 /nfs/dbraw/zinc/64/65/03/609646503.db2.gz FUJALKXJUVNHJG-INIZCTEOSA-N 0 0 339.392 0.113 10 0 ECAERN O=C(N[C@@H]1C[C@@H](O)[C@@H]1n1cccn1)[C@@]1(c2ccccc2)CNC(=O)C1 ZINC000909185154 609681640 /nfs/dbraw/zinc/68/16/40/609681640.db2.gz BKLCECHWMXCKIA-GZOSKZMVSA-N 0 0 340.383 0.132 10 0 ECAERN CN1CCS(=O)(=O)C[C@@H]1CC(=O)Nc1cc(O)c(F)cc1F ZINC000909987621 609703904 /nfs/dbraw/zinc/70/39/04/609703904.db2.gz ACEWLKXIESDBGQ-QMMMGPOBSA-N 0 0 334.344 0.728 10 0 ECAERN O=C(CCn1c(=O)c(N2CCCC2)nc2ccccc21)NCCCO ZINC000222884318 609705342 /nfs/dbraw/zinc/70/53/42/609705342.db2.gz GQHNXXDTBUZSDA-UHFFFAOYSA-N 0 0 344.415 0.885 10 0 ECAERN Cc1c(CC(=O)N2CCN(c3ccccn3)CC2)ncn(C)c1=O ZINC000222938722 609706422 /nfs/dbraw/zinc/70/64/22/609706422.db2.gz KMTBHEUBPXQSPB-UHFFFAOYSA-N 0 0 327.388 0.375 10 0 ECAERN Cc1c(C(=O)N2CCN(S(=O)(=O)C(C)C)CC2)nn2c1OCC2 ZINC000223829048 609714804 /nfs/dbraw/zinc/71/48/04/609714804.db2.gz DEQPBNOBWLZSAQ-UHFFFAOYSA-N 0 0 342.421 0.080 10 0 ECAERN CC(C)[C@H]1Nc2ncnc(NCCCN3CCOCC3)c2NC1=O ZINC000223990801 609716443 /nfs/dbraw/zinc/71/64/43/609716443.db2.gz PZFNZFKRQXOCON-GFCCVEGCSA-N 0 0 334.424 0.999 10 0 ECAERN COC[C@@H]1CN(C(C)=O)CC12CCN(C(=O)Cn1ccc(C)n1)CC2 ZINC000169782819 609746879 /nfs/dbraw/zinc/74/68/79/609746879.db2.gz KYQQGKDSXCFENE-INIZCTEOSA-N 0 0 348.447 0.925 10 0 ECAERN CC(=O)N1C[C@@H](C(=O)NCCCn2cccn2)[C@H](c2nc(C)no2)C1 ZINC000169791197 609747351 /nfs/dbraw/zinc/74/73/51/609747351.db2.gz DSUMQVKADMHAQN-ZIAGYGMSSA-N 0 0 346.391 0.343 10 0 ECAERN CCCN1C(=O)C(=O)N(CN2CCC(Cn3cccn3)CC2)C1=O ZINC000152754542 609878071 /nfs/dbraw/zinc/87/80/71/609878071.db2.gz AITIDGVASSYMMG-UHFFFAOYSA-N 0 0 333.392 0.753 10 0 ECAERN COC[C@@]1(C)NC(=O)N(CN2CCC[C@@H](n3cc(C)cn3)C2)C1=O ZINC000152896256 609886890 /nfs/dbraw/zinc/88/68/90/609886890.db2.gz SDRNBLHYYLJMCN-CZUORRHYSA-N 0 0 335.408 0.743 10 0 ECAERN O=C(NC[C@@H](O)CN1CCOCC1)c1cc2ccccc2oc1=O ZINC000154116778 609945347 /nfs/dbraw/zinc/94/53/47/609945347.db2.gz LYZXATKSTUBKRJ-CYBMUJFWSA-N 0 0 332.356 0.216 10 0 ECAERN C[C@H](C(=O)N1CCOC[C@H]1CO)S(=O)(=O)c1ccc(F)cc1 ZINC000912420387 609957191 /nfs/dbraw/zinc/95/71/91/609957191.db2.gz BGLAZHUAXZTWDF-ZYHUDNBSSA-N 0 0 331.365 0.208 10 0 ECAERN CC(=O)N[C@@H]1CCCN(C(=O)C2=C(C)N(C)c3ncnn3[C@@H]2C)C1 ZINC000192166056 611923655 /nfs/dbraw/zinc/92/36/55/611923655.db2.gz GHIDLCBLQWSOQI-DGCLKSJQSA-N 0 0 332.408 0.690 10 0 ECAERN COc1ccc(N2C[C@H](C(=O)N[C@@H]3C[C@@H](O)[C@@H](CO)C3)CC2=O)cc1 ZINC000085469160 612129780 /nfs/dbraw/zinc/12/97/80/612129780.db2.gz AZFMDCLYRGULIM-NFFDBFGFSA-N 0 0 348.399 0.296 10 0 ECAERN CC(C)N1C[C@@H](C)[C@H](NC(=O)CS[C@H]2CCS(=O)(=O)C2)C1 ZINC000247374935 612910722 /nfs/dbraw/zinc/91/07/22/612910722.db2.gz PJYBBUZWOAUKJC-FRRDWIJNSA-N 0 0 334.507 0.752 10 0 ECAERN Cc1cc(N2CCC[C@H](Nc3ccc(C(N)=O)nn3)C2=O)n(C)n1 ZINC000173986603 231091365 /nfs/dbraw/zinc/09/13/65/231091365.db2.gz YJWFUOLUCUVEOA-NSHDSACASA-N 0 0 329.364 0.225 10 0 ECAERN Cc1ccc([C@@H](C)NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)o1 ZINC000057464791 214430781 /nfs/dbraw/zinc/43/07/81/214430781.db2.gz XHTSUYYIXIWLIQ-SNVBAGLBSA-N 0 0 345.359 0.213 10 0 ECAERN CN(C)c1ccc(C(=O)NC[C@H](O)CN2CCOCC2)c(F)c1 ZINC000133120615 529777270 /nfs/dbraw/zinc/77/72/70/529777270.db2.gz BONNHICJKNYKHH-ZDUSSCGKSA-N 0 0 325.384 0.315 10 0 ECAERN Cc1c(S(=O)(=O)N[C@@H](C)c2ccccc2)c(=O)n(C)c(=O)n1C ZINC000004337744 210174305 /nfs/dbraw/zinc/17/43/05/210174305.db2.gz GFUXTRKKEFRUFL-JTQLQIEISA-N 0 0 337.401 0.432 10 0 ECAERN COc1cc([C@@H](O)CC(=O)N2CCOCC2)cc(OC)c1OC ZINC000003615215 210065927 /nfs/dbraw/zinc/06/59/27/210065927.db2.gz XMAADYFYLWKGHE-LBPRGKRZSA-N 0 0 325.361 0.995 10 0 ECAERN COCc1cc(CNC(=O)c2cc3n(n2)CCN(C(C)C)C3)[nH]n1 ZINC000067934365 215253288 /nfs/dbraw/zinc/25/32/88/215253288.db2.gz GTEHJHCDPAPKME-UHFFFAOYSA-N 0 0 332.408 0.907 10 0 ECAERN Nc1cn(CCOc2ccc(Br)cc2)c(=O)[nH]c1=O ZINC000104288240 219370145 /nfs/dbraw/zinc/37/01/45/219370145.db2.gz QISGOAWKRYBPLI-UHFFFAOYSA-N 0 0 326.150 0.960 10 0 ECAERN O=CN1CCN(CC(=O)Nc2nnc(-c3ccccc3)s2)CC1 ZINC000039750289 213242125 /nfs/dbraw/zinc/24/21/25/213242125.db2.gz SABFVPAUXRLGPP-UHFFFAOYSA-N 0 0 331.401 0.918 10 0 ECAERN COCC(=O)NC1CN(C(=O)c2cnn(Cc3ccccc3)c2C)C1 ZINC000185275139 235631029 /nfs/dbraw/zinc/63/10/29/235631029.db2.gz WWLZIACLHVHXIC-UHFFFAOYSA-N 0 0 342.399 0.827 10 0 ECAERN COC(=O)c1cnn2c1nnc1c2ccn(-c2ccccc2N)c1=O ZINC000072466115 216247830 /nfs/dbraw/zinc/24/78/30/216247830.db2.gz XKJQUMVYROHZOY-UHFFFAOYSA-N 0 0 336.311 0.797 10 0 ECAERN Cn1cc(CN2CCCN(C(=O)NCCOCC(F)F)CC2)cn1 ZINC000190269687 238347933 /nfs/dbraw/zinc/34/79/33/238347933.db2.gz VOLLYRPOQPARGJ-UHFFFAOYSA-N 0 0 345.394 0.919 10 0 ECAERN CCn1cc(C2CCN(C(=O)[C@H](C)NS(C)(=O)=O)CC2)cn1 ZINC000131890797 223280589 /nfs/dbraw/zinc/28/05/89/223280589.db2.gz CFAJFTQZXOLDJL-NSHDSACASA-N 0 0 328.438 0.547 10 0 ECAERN O=C([C@@H]1CC[C@@H](C(F)(F)F)NC1=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000246982076 296043934 /nfs/dbraw/zinc/04/39/34/296043934.db2.gz MOZAZNTYXWAIPW-UTUOFQBUSA-N 0 0 349.353 0.377 10 0 ECAERN C[C@@H](NC(=O)CN1CCOC[C@@H]1C(N)=O)c1ccccc1Cl ZINC000092421785 296048738 /nfs/dbraw/zinc/04/87/38/296048738.db2.gz NVXORYSGSHALRC-ZWNOBZJWSA-N 0 0 325.796 0.703 10 0 ECAERN O=C(NCC1CC1)C(=O)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000191830598 239323144 /nfs/dbraw/zinc/32/31/44/239323144.db2.gz ZLHZDAZXEPEOBG-INIZCTEOSA-N 0 0 331.416 0.390 10 0 ECAERN Cc1cc(N2CCC[C@H](NC(=O)CCc3ccncn3)C2=O)n(C)n1 ZINC000192368980 239680987 /nfs/dbraw/zinc/68/09/87/239680987.db2.gz AONNUMYJXKFVIY-AWEZNQCLSA-N 0 0 342.403 0.763 10 0 ECAERN CNc1cc(N2CCC[C@@H]2CNC(=O)NCCCCCO)ncn1 ZINC000193083970 240011854 /nfs/dbraw/zinc/01/18/54/240011854.db2.gz PCXSIJGVMPQSIE-CYBMUJFWSA-N 0 0 336.440 0.949 10 0 ECAERN Cc1cccc(NC(=O)C(=O)N2CCO[C@H](Cn3cccn3)C2)n1 ZINC000193474871 240178231 /nfs/dbraw/zinc/17/82/31/240178231.db2.gz MJTOXYLIFCFAGR-ZDUSSCGKSA-N 0 0 329.360 0.453 10 0 ECAERN CCCCOC[C@@H](O)CN1CCN(c2ccc3nncn3n2)CC1 ZINC000193378558 240137525 /nfs/dbraw/zinc/13/75/25/240137525.db2.gz NBUMYLBHAFOEMG-AWEZNQCLSA-N 0 0 334.424 0.424 10 0 ECAERN C[C@@H]1CCNC(=O)[C@H]1NC(=O)NCCN1CCc2ccccc2C1=O ZINC000193941638 240372270 /nfs/dbraw/zinc/37/22/70/240372270.db2.gz SEZULWHXAOAJOO-DOMZBBRYSA-N 0 0 344.415 0.509 10 0 ECAERN O=C(NC[C@@H](O)CN1CCOCC1)c1cnc2ccc(F)cc2c1 ZINC000179476157 283967869 /nfs/dbraw/zinc/96/78/69/283967869.db2.gz LECXFACNEHXLFD-OAHLLOKOSA-N 0 0 333.363 0.797 10 0 ECAERN C[N@@H+](CC(=O)[O-])C[C@H]1CN(C(=O)Cc2ccc3c(c2)CCC3)CCO1 ZINC000262931156 245256914 /nfs/dbraw/zinc/25/69/14/245256914.db2.gz MBKQSTHAIQPXMN-KRWDZBQOSA-N 0 0 346.427 0.962 10 0 ECAERN COc1ccccc1CN1CCN(C[C@@H](O)CN2CCCC2=O)CC1 ZINC000111689715 220180167 /nfs/dbraw/zinc/18/01/67/220180167.db2.gz DYNUNEAADYPZST-QGZVFWFLSA-N 0 0 347.459 0.796 10 0 ECAERN CCOCCO[C@H](C)C(=O)N1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000112065156 220237769 /nfs/dbraw/zinc/23/77/69/220237769.db2.gz ACHQHURSQNWWDY-CABCVRRESA-N 0 0 325.409 0.861 10 0 ECAERN Cc1cc(NC[C@H](O)CN2CCOCC2)nc(-c2ccncc2)n1 ZINC000112073002 220239708 /nfs/dbraw/zinc/23/97/08/220239708.db2.gz LUFBPYQDZPHTMK-HNNXBMFYSA-N 0 0 329.404 0.952 10 0 ECAERN O=C(C[C@@H]1C(=O)NCCN1Cc1ccccc1)N1CCC(O)CC1 ZINC000012072800 211286060 /nfs/dbraw/zinc/28/60/60/211286060.db2.gz NZHIYRZPHVBIGF-MRXNPFEDSA-N 0 0 331.416 0.360 10 0 ECAERN CC(C)N(Cc1nccn1C)C(=O)C[C@@H]1C(=O)NCCN1C(C)C ZINC000011818991 211252354 /nfs/dbraw/zinc/25/23/54/211252354.db2.gz DJSCCLIISWPCGX-CQSZACIVSA-N 0 0 335.452 0.756 10 0 ECAERN NC(=O)[C@@H]1COCCN1C(=O)Cc1coc(-c2ccc(F)cc2)n1 ZINC000091783759 218065744 /nfs/dbraw/zinc/06/57/44/218065744.db2.gz HFRGXKCWXIRAHF-ZDUSSCGKSA-N 0 0 333.319 0.736 10 0 ECAERN CC(=O)NCC(=O)N1CCO[C@]2(CCC[C@@H]2COc2ccccn2)C1 ZINC000096063550 218558078 /nfs/dbraw/zinc/55/80/78/218558078.db2.gz JVPCFARVXREPOH-CRAIPNDOSA-N 0 0 347.415 0.994 10 0 ECAERN O=S(=O)(NC[C@@H]1COCc2c(-c3ccncc3)nnn2C1)C1CC1 ZINC000096069492 218566964 /nfs/dbraw/zinc/56/69/64/218566964.db2.gz RZRQFMRGOQBMTD-NSHDSACASA-N 0 0 349.416 0.568 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)C(=O)Nc2ccc(C)c(F)c2)CC1 ZINC000189455827 207741052 /nfs/dbraw/zinc/74/10/52/207741052.db2.gz QCYMRMHIPYNFRS-CQSZACIVSA-N 0 0 337.395 0.988 10 0 ECAERN COC[C@H](C)n1c(C)cc(C(=O)CN2CCOC[C@@H]2C(N)=O)c1C ZINC000179740691 533008600 /nfs/dbraw/zinc/00/86/00/533008600.db2.gz NYUUQCOLYRHHJH-SWLSCSKDSA-N 0 0 337.420 0.681 10 0 ECAERN CNc1cc(N2CCC[C@H]2CNC(=O)NC[C@@H]2CCCO2)ncn1 ZINC000174000256 533050358 /nfs/dbraw/zinc/05/03/58/533050358.db2.gz XOCBQYHUBCQWNO-STQMWFEESA-N 0 0 334.424 0.965 10 0 ECAERN CNc1cc(N2CCC[C@H]2CNC(=O)C2CN(C(C)=O)C2)ncn1 ZINC000191880161 533051130 /nfs/dbraw/zinc/05/11/30/533051130.db2.gz JCGYCEQMQULISK-ZDUSSCGKSA-N 0 0 332.408 0.082 10 0 ECAERN CNc1cc(N2CCC[C@H]2CNC(=O)NCCn2ccnc2)ncn1 ZINC000174000974 533051287 /nfs/dbraw/zinc/05/12/87/533051287.db2.gz VTEVRCXIKUFHLY-ZDUSSCGKSA-N 0 0 344.423 0.683 10 0 ECAERN C[C@H](NC(=O)c1ccco1)C(=O)N(CC(N)=O)Cc1ccccc1 ZINC000112305911 220297300 /nfs/dbraw/zinc/29/73/00/220297300.db2.gz YKYHGZWIDVXIQG-LBPRGKRZSA-N 0 0 329.356 0.912 10 0 ECAERN C[C@@H](NC(=O)Nc1ccccc1)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000112661408 220367930 /nfs/dbraw/zinc/36/79/30/220367930.db2.gz IHTKJZUUQQNDQN-YPMHNXCESA-N 0 0 328.376 0.919 10 0 ECAERN O=C(CNC(=O)c1ccc(F)c(F)c1)N[C@@H]1CCc2ncnn2C1 ZINC000112725467 220387609 /nfs/dbraw/zinc/38/76/09/220387609.db2.gz YOBWDCBPJQPGNW-SNVBAGLBSA-N 0 0 335.314 0.417 10 0 ECAERN C[C@H](NC(=O)N[C@H]1CCc2ncnn2C1)C(=O)NCc1ccccc1 ZINC000112745694 220395283 /nfs/dbraw/zinc/39/52/83/220395283.db2.gz UGAUZQXDEGESSW-JSGCOSHPSA-N 0 0 342.403 0.597 10 0 ECAERN CCc1nc2n(n1)C[C@H](NS(=O)(=O)c1c(C)noc1C)CC2 ZINC000114875090 220772794 /nfs/dbraw/zinc/77/27/94/220772794.db2.gz NKBWMHFPBKPERF-SNVBAGLBSA-N 0 0 325.394 0.739 10 0 ECAERN Cc1nc(C)n(C[C@H]2CCCN(S(=O)(=O)c3cnn(C)c3)C2)n1 ZINC000116899805 221008003 /nfs/dbraw/zinc/00/80/03/221008003.db2.gz DTSCBBXAYQGTJO-ZDUSSCGKSA-N 0 0 338.437 0.729 10 0 ECAERN CCOCCN1CCN(C(=O)c2cccc(-n3cnnn3)c2)C[C@H]1C ZINC000117280192 221041517 /nfs/dbraw/zinc/04/15/17/221041517.db2.gz YSOXNEKMUXIEAV-CQSZACIVSA-N 0 0 344.419 0.845 10 0 ECAERN COCCN1CCN(C(=O)c2cccc(-n3cnnn3)c2)C[C@H]1C ZINC000117291945 221045447 /nfs/dbraw/zinc/04/54/47/221045447.db2.gz NWZQQIQDCFRJMK-CYBMUJFWSA-N 0 0 330.392 0.455 10 0 ECAERN COCCN1CCN(C(=O)CCS(=O)(=O)C2CCCC2)C[C@@H]1C ZINC000117289125 221045671 /nfs/dbraw/zinc/04/56/71/221045671.db2.gz DWZOAPYWQHVDAE-AWEZNQCLSA-N 0 0 346.493 0.913 10 0 ECAERN CC[C@H]1CN(C(=O)C(=O)Nc2cnccc2C)CCN1CCOC ZINC000117526645 221073986 /nfs/dbraw/zinc/07/39/86/221073986.db2.gz FCKOHWQOCMQZAD-AWEZNQCLSA-N 0 0 334.420 0.898 10 0 ECAERN Cc1cnn(CCNC(=O)CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)c1 ZINC000117817107 221092671 /nfs/dbraw/zinc/09/26/71/221092671.db2.gz RKBHFFYJGBFILL-GUYCJALGSA-N 0 0 347.419 0.808 10 0 ECAERN Cc1cnn(CCNC(=O)c2sccc2S(=O)(=O)N(C)C)c1 ZINC000117814879 221093006 /nfs/dbraw/zinc/09/30/06/221093006.db2.gz VAVCUEMNEDAHNM-UHFFFAOYSA-N 0 0 342.446 0.933 10 0 ECAERN CCc1noc([C@H](C)N2CCN(S(=O)(=O)[C@@H](C)COC)CC2)n1 ZINC000117921973 221100424 /nfs/dbraw/zinc/10/04/24/221100424.db2.gz ZJMBBDLRRZLIGE-RYUDHWBXSA-N 0 0 346.453 0.675 10 0 ECAERN CN1CCO[C@H](CNC(=O)C(=O)Nc2ccc3ncccc3c2)C1 ZINC000118115420 221121858 /nfs/dbraw/zinc/12/18/58/221121858.db2.gz BBFCPXKLZXFTFL-CQSZACIVSA-N 0 0 328.372 0.620 10 0 ECAERN CN1CCO[C@H](CNC(=O)NC[C@@](C)(O)c2ccc(F)cc2)C1 ZINC000118979004 221216426 /nfs/dbraw/zinc/21/64/26/221216426.db2.gz JBZJEMHPRACGHN-GDBMZVCRSA-N 0 0 325.384 0.663 10 0 ECAERN C[C@H]1C[C@H]1NC(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1 ZINC000154820483 224310610 /nfs/dbraw/zinc/31/06/10/224310610.db2.gz JSNJHDXLRNIXGI-GXFFZTMASA-N 0 0 341.437 0.281 10 0 ECAERN C[C@H](CNC(=O)CN1CCN(c2ccccn2)CC1)N1CCOCC1 ZINC000154968806 224335565 /nfs/dbraw/zinc/33/55/65/224335565.db2.gz JNXHLKNJWMHHCY-MRXNPFEDSA-N 0 0 347.463 0.041 10 0 ECAERN CN(C)S(=O)(=O)N1C[C@H]2COC[C@@]2(COc2ccccn2)C1 ZINC000247958633 257672073 /nfs/dbraw/zinc/67/20/73/257672073.db2.gz PLKANOLIBSCBAN-GXTWGEPZSA-N 0 0 327.406 0.215 10 0 ECAERN CN(C)c1nccc([C@@H]2CN(C(=O)C3=NN(C)C(=O)CC3)CCO2)n1 ZINC000276588188 257989080 /nfs/dbraw/zinc/98/90/80/257989080.db2.gz HZBKTXMBJBLDCQ-ZDUSSCGKSA-N 0 0 346.391 0.051 10 0 ECAERN COC(=O)CCNC(=O)CNC1(c2noc(C3CC3)n2)CCCC1 ZINC000173710418 533434293 /nfs/dbraw/zinc/43/42/93/533434293.db2.gz FQDFLPURQHGXAP-UHFFFAOYSA-N 0 0 336.392 0.985 10 0 ECAERN CCn1nc(C)c(NC(=O)C(=O)N2CCC[C@@H](NC(C)=O)C2)c1C ZINC000152841704 296688872 /nfs/dbraw/zinc/68/88/72/296688872.db2.gz CMPLWIRMRZWQLF-CYBMUJFWSA-N 0 0 335.408 0.585 10 0 ECAERN CC(C)(C)S(=O)(=O)CCNC(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000173286855 296721604 /nfs/dbraw/zinc/72/16/04/296721604.db2.gz FHVPPZHFERMBES-GFCCVEGCSA-N 0 0 343.453 0.838 10 0 ECAERN Cc1cc(C)cc(OCc2noc(CN3CCOC[C@H]3C(N)=O)n2)c1 ZINC000092228342 164644691 /nfs/dbraw/zinc/64/46/91/164644691.db2.gz CMLCYAZVICIUOV-AWEZNQCLSA-N 0 0 346.387 0.952 10 0 ECAERN CCn1cc(C2CCN(C(=O)NC[C@H]3CC[C@@H](C(N)=O)O3)CC2)cn1 ZINC000154264470 164762221 /nfs/dbraw/zinc/76/22/21/164762221.db2.gz KMVCJNWDRIRLDZ-CABCVRRESA-N 0 0 349.435 0.825 10 0 ECAERN O=C(CNC(=O)NC1CCCCC1)N1CC[C@@H](N2CCOCC2)C1 ZINC000172760198 164846980 /nfs/dbraw/zinc/84/69/80/164846980.db2.gz HWABHDLSXIWWIG-OAHLLOKOSA-N 0 0 338.452 0.551 10 0 ECAERN O=C(NCCCc1ccccc1)C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000172759419 164847055 /nfs/dbraw/zinc/84/70/55/164847055.db2.gz PLBIHEDWEUALCN-KRWDZBQOSA-N 0 0 345.443 0.669 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)N1CCC(CC(=O)NC)CC1)CC2 ZINC000174264262 164868884 /nfs/dbraw/zinc/86/88/84/164868884.db2.gz KGIFOBFLIGXWIU-CYBMUJFWSA-N 0 0 348.451 0.713 10 0 ECAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)NCC(=O)NCC1CC1)CC2 ZINC000183024878 164952275 /nfs/dbraw/zinc/95/22/75/164952275.db2.gz WNYZNYQDYSLOCL-GFCCVEGCSA-N 0 0 334.424 0.542 10 0 ECAERN Cc1cc(N2CCC[C@@H](NC(=O)Nc3ccnn3C)C2=O)n(C)n1 ZINC000185399560 164973780 /nfs/dbraw/zinc/97/37/80/164973780.db2.gz NMMJXULXTJGGPK-LLVKDONJSA-N 0 0 331.380 0.779 10 0 ECAERN CC(=O)N[C@H]1CCCN(C(=O)C(=O)N2CCc3c2cccc3F)C1 ZINC000185564399 164974291 /nfs/dbraw/zinc/97/42/91/164974291.db2.gz SPBJKHGFHADOOV-LBPRGKRZSA-N 0 0 333.363 0.842 10 0 ECAERN C[C@@H]1C(=O)NCCCN1C(=O)Cn1nnc(-c2ccc(Cl)cc2)n1 ZINC000188101008 164994312 /nfs/dbraw/zinc/99/43/12/164994312.db2.gz LYYMGMJYYFSBOO-SNVBAGLBSA-N 0 0 348.794 0.731 10 0 ECAERN C[C@@H]1C(=O)NCCCN1C(=O)CCNC(=O)c1[nH]nc2ccccc21 ZINC000188856220 165003447 /nfs/dbraw/zinc/00/34/47/165003447.db2.gz GAFXDXYWGXDXPE-LLVKDONJSA-N 0 0 343.387 0.420 10 0 ECAERN Cc1sc2ncc(C(=O)N3CCCNC(=O)[C@H]3C)c(=O)n2c1C ZINC000188930081 165004362 /nfs/dbraw/zinc/00/43/62/165004362.db2.gz KTNCWLUFPPUFFV-SECBINFHSA-N 0 0 334.401 0.723 10 0 ECAERN Cc1ccc(-c2nnn(CC(=O)N3CC(NC(=O)C4CC4)C3)n2)cc1 ZINC000189378673 165009389 /nfs/dbraw/zinc/00/93/89/165009389.db2.gz DJUARQXDTMSZFD-UHFFFAOYSA-N 0 0 340.387 0.386 10 0 ECAERN CC(=O)NC1CN(C(=O)NCC2(N3CCOCC3)CCCCC2)C1 ZINC000189721988 165014432 /nfs/dbraw/zinc/01/44/32/165014432.db2.gz WKVZXUKGYXLAEY-UHFFFAOYSA-N 0 0 338.452 0.551 10 0 ECAERN CC(=O)NC1CN(C(=O)[C@H]2CC(=O)N(c3ccc(F)c(C)c3)C2)C1 ZINC000190457127 165021478 /nfs/dbraw/zinc/02/14/78/165021478.db2.gz YBNYXVPLKPLGAS-LBPRGKRZSA-N 0 0 333.363 0.834 10 0 ECAERN CCn1cc([C@@H]2CN(CCc3cn(CC(=O)OC)nn3)CCO2)cn1 ZINC000190785135 165026053 /nfs/dbraw/zinc/02/60/53/165026053.db2.gz TULYEAPRKCANAY-HNNXBMFYSA-N 0 0 348.407 0.284 10 0 ECAERN C[C@@H]1C(=O)NCCCN1S(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000190984975 165027413 /nfs/dbraw/zinc/02/74/13/165027413.db2.gz AZSFFTWIPFROSA-SECBINFHSA-N 0 0 342.808 0.887 10 0 ECAERN CC(=O)[C@H]1CC(C(=O)N2CCCNC(=O)[C@@H]2C)=NN1c1ccccc1 ZINC000191769292 165037186 /nfs/dbraw/zinc/03/71/86/165037186.db2.gz CPXQIMJDAGDIMW-BLLLJJGKSA-N 0 0 342.399 0.947 10 0 ECAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCCCN1CCc2ccccc21 ZINC000192554566 165043213 /nfs/dbraw/zinc/04/32/13/165043213.db2.gz HBXMWSAKEGCVCY-NVXWUHKLSA-N 0 0 331.416 0.537 10 0 ECAERN COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)[C@@H]1CNC(=O)C1)CC3 ZINC000194866605 165070774 /nfs/dbraw/zinc/07/07/74/165070774.db2.gz GULNZCWKTGGOCN-NSHDSACASA-N 0 0 341.367 0.975 10 0 ECAERN NS(=O)(=O)c1cc(C(=O)N2CCN3CCCC[C@H]3C2)cs1 ZINC000194761036 165072221 /nfs/dbraw/zinc/07/22/21/165072221.db2.gz MRBFYCCDQAVAHL-NSHDSACASA-N 0 0 329.447 0.706 10 0 ECAERN CC[C@H]1CCCCN1C(=O)CS(=O)(=O)Cc1nnnn1C(C)C ZINC000195427608 165081240 /nfs/dbraw/zinc/08/12/40/165081240.db2.gz XFAXCCZCUNLFMB-LBPRGKRZSA-N 0 0 343.453 0.960 10 0 ECAERN CC(C)n1nnnc1CS(=O)(=O)CC(=O)N(C)c1ccccc1 ZINC000195428165 165081733 /nfs/dbraw/zinc/08/17/33/165081733.db2.gz WDGWWXXHUGMLFJ-UHFFFAOYSA-N 0 0 337.405 0.832 10 0 ECAERN CCCNC(=O)CN(C)C(=O)CN1CCC(c2ccnn2C)CC1 ZINC000195502554 165084093 /nfs/dbraw/zinc/08/40/93/165084093.db2.gz VBHJMZXORRZJLV-UHFFFAOYSA-N 0 0 335.452 0.584 10 0 ECAERN CC(C)[C@@H](CNC(=O)CN1CCOC[C@H]1C(N)=O)c1ccccc1 ZINC000245706404 165114483 /nfs/dbraw/zinc/11/44/83/165114483.db2.gz BYEZPDQCOAZLKC-CVEARBPZSA-N 0 0 333.432 0.729 10 0 ECAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N[C@H]1CCCn2ncnc21 ZINC000246104687 165123033 /nfs/dbraw/zinc/12/30/33/165123033.db2.gz IUOBGVAOVPPGFM-RYUDHWBXSA-N 0 0 341.437 0.433 10 0 ECAERN CCOC(=O)[C@H]1CCCN(C(=O)CN2CCC[C@@H](n3cncn3)C2)C1 ZINC000247388526 165161169 /nfs/dbraw/zinc/16/11/69/165161169.db2.gz WUIAVHIUFRBYSD-LSDHHAIUSA-N 0 0 349.435 0.717 10 0 ECAERN CNC(=O)[C@H]1CN(C[C@@H](O)COCc2ccc(Cl)cc2)CCO1 ZINC000248432137 165174946 /nfs/dbraw/zinc/17/49/46/165174946.db2.gz CNZXNTIMUYXYLW-HUUCEWRRSA-N 0 0 342.823 0.664 10 0 ECAERN CCC(=O)N1CC[C@H](NC(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)C1 ZINC000248603232 165179506 /nfs/dbraw/zinc/17/95/06/165179506.db2.gz JKFYNCSUODUUTL-MJBXVCDLSA-N 0 0 326.441 0.094 10 0 ECAERN CCN(CC1CC1)S(=O)(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000248651718 165181486 /nfs/dbraw/zinc/18/14/86/165181486.db2.gz SVQOXNMJATYNIM-HIFRSBDPSA-N 0 0 331.482 0.616 10 0 ECAERN CCn1cc([C@@H]2CN([C@@H](C)C(=O)NC[C@H]3CCCO3)CCO2)cn1 ZINC000248815906 165185370 /nfs/dbraw/zinc/18/53/70/165185370.db2.gz UHUARVCOEAYFKH-IMJJTQAJSA-N 0 0 336.436 0.960 10 0 ECAERN C[C@H](NS(C)(=O)=O)C(=O)N1C[C@@H](CO)[C@@H](c2ccsc2)C1 ZINC000249520274 165199259 /nfs/dbraw/zinc/19/92/59/165199259.db2.gz UXNLEEYBDFIDCN-ZMLRMANQSA-N 0 0 332.447 0.220 10 0 ECAERN CCOCCS(=O)(=O)NCC(=O)N1CCCc2c(N)cccc21 ZINC000261774848 165242172 /nfs/dbraw/zinc/24/21/72/165242172.db2.gz NABZGAAQMAJVHX-UHFFFAOYSA-N 0 0 341.433 0.504 10 0 ECAERN CN[C@H](C(=O)N[C@H](C)c1ccc2c(c1)NC(=O)CO2)c1cnn(C)c1 ZINC000262034713 165278064 /nfs/dbraw/zinc/27/80/64/165278064.db2.gz FMHLHFVUGNYUBV-HWPZZCPQSA-N 0 0 343.387 0.889 10 0 ECAERN COC[C@@H](N)C(=O)Nc1cnn(-c2ccccc2S(C)(=O)=O)c1 ZINC000262183017 165304373 /nfs/dbraw/zinc/30/43/73/165304373.db2.gz BRTOJAAXSDDXAA-LLVKDONJSA-N 0 0 338.389 0.188 10 0 ECAERN CN[C@H](C(=O)N1CCS(=O)(=O)[C@@H]2CCCC[C@@H]21)c1cnn(C)c1 ZINC000262273990 165320241 /nfs/dbraw/zinc/32/02/41/165320241.db2.gz WEKHZDSLNLZCHM-MJBXVCDLSA-N 0 0 340.449 0.249 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)c2csc(COC)n2)C1 ZINC000262721251 165378115 /nfs/dbraw/zinc/37/81/15/165378115.db2.gz PSZUAHWYAYNGNU-UHFFFAOYSA-N 0 0 327.406 0.957 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)c2ccnc(-n3cccn3)c2)C1 ZINC000262834286 165393136 /nfs/dbraw/zinc/39/31/36/165393136.db2.gz SATUDWNKMVIDTH-UHFFFAOYSA-N 0 0 343.387 0.935 10 0 ECAERN CNS(=O)(=O)c1ccc(N2CCC[C@H](C(=O)N(C)C)C2)nc1 ZINC000301241118 296884066 /nfs/dbraw/zinc/88/40/66/296884066.db2.gz MJCYULJELKLZHB-NSHDSACASA-N 0 0 326.422 0.294 10 0 ECAERN CN(C(=O)c1ccn(C)c(=O)c1)[C@H]1CCCN(c2cccnn2)C1 ZINC000122144941 222024007 /nfs/dbraw/zinc/02/40/07/222024007.db2.gz VPGXMGQAQUFWMS-AWEZNQCLSA-N 0 0 327.388 0.916 10 0 ECAERN C[C@@H](C(=O)N(C)[C@H]1CCCN(c2cccnn2)C1)S(C)(=O)=O ZINC000122645040 222130335 /nfs/dbraw/zinc/13/03/35/222130335.db2.gz YUTYUKKNZPRXDB-RYUDHWBXSA-N 0 0 326.422 0.337 10 0 ECAERN Cc1noc([C@H](C)N2CCN(C(=O)N[C@H](C)C(=O)N(C)C)CC2)n1 ZINC000171901644 227349519 /nfs/dbraw/zinc/34/95/19/227349519.db2.gz HFHWZUBRWVCOCC-MNOVXSKESA-N 0 0 338.412 0.243 10 0 ECAERN CNS(=O)(=O)CCNC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000062511065 263141558 /nfs/dbraw/zinc/14/15/58/263141558.db2.gz PQIJSQRMFRWGLT-SNVBAGLBSA-N 0 0 335.426 0.051 10 0 ECAERN Cc1nc2cc(NC(=O)C(=O)N3CCO[C@@H](C[NH+](C)C)C3)ccc2o1 ZINC000179845437 263156427 /nfs/dbraw/zinc/15/64/27/263156427.db2.gz NVKMTCDWQBPMBA-ZDUSSCGKSA-N 0 0 346.387 0.864 10 0 ECAERN CC(=O)NC1CN(C(=O)C(=O)Nc2cccc(N(C)C(C)C)c2)C1 ZINC000191350452 263165100 /nfs/dbraw/zinc/16/51/00/263165100.db2.gz ZSBDDXFPDHLSQJ-UHFFFAOYSA-N 0 0 332.404 0.817 10 0 ECAERN Cc1nn(C)c(C)c1CN1CCN(CCN2CCO[C@H](C)C2)CC1 ZINC000192735140 263166227 /nfs/dbraw/zinc/16/62/27/263166227.db2.gz VLVZGVUQHSYLKI-OAHLLOKOSA-N 0 0 335.496 0.875 10 0 ECAERN O=C([C@H]1CNC(=O)C1)N1CCN(Cc2nccn2C(F)F)CC1 ZINC000194883385 263169988 /nfs/dbraw/zinc/16/99/88/263169988.db2.gz YPZVBMRPZJESSR-SNVBAGLBSA-N 0 0 327.335 0.059 10 0 ECAERN CO[C@H]1C[C@@H](C(N)=O)N(C(=O)c2cnn(-c3ccccc3)c2C)C1 ZINC000284604073 264232664 /nfs/dbraw/zinc/23/26/64/264232664.db2.gz NLJZJWFXCGOJQL-ZFWWWQNUSA-N 0 0 328.372 0.896 10 0 ECAERN CO[C@H]1C[C@@H](C(N)=O)N(S(=O)(=O)c2ccc(-n3cccc3)cc2)C1 ZINC000285265253 264297047 /nfs/dbraw/zinc/29/70/47/264297047.db2.gz YXELNMLIDQPCJC-ZFWWWQNUSA-N 0 0 349.412 0.741 10 0 ECAERN Cc1cnn(Cc2cc(C(=O)N3CC(NC(=O)C4CC4)C3)no2)c1 ZINC000189364128 437594441 /nfs/dbraw/zinc/59/44/41/437594441.db2.gz YXHCDBNICXQGJP-UHFFFAOYSA-N 0 0 329.360 0.578 10 0 ECAERN CC(=O)NCC(=O)N1CCO[C@@]2(CCCN(c3ccc(C)nn3)C2)C1 ZINC000096074855 277027011 /nfs/dbraw/zinc/02/70/11/277027011.db2.gz OJLMPQBHZFZVKK-QGZVFWFLSA-N 0 0 347.419 0.119 10 0 ECAERN CC(=O)N[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(C)[C@H]2c2cccnc2)C1 ZINC000246381650 278144642 /nfs/dbraw/zinc/14/46/42/278144642.db2.gz NOXAEPBSHBEZQH-VYDXJSESSA-N 0 0 344.415 0.728 10 0 ECAERN O=C(Cn1nnc(-c2ccccc2)n1)N1CC(NC(=O)C2CC2)C1 ZINC000189478564 437601917 /nfs/dbraw/zinc/60/19/17/437601917.db2.gz ZWJPVJURCUYCLM-UHFFFAOYSA-N 0 0 326.360 0.077 10 0 ECAERN CN(CC(=O)N1CCC[C@@H]1C[C@H](O)c1ccco1)S(C)(=O)=O ZINC000154078097 289459549 /nfs/dbraw/zinc/45/95/49/289459549.db2.gz YCDCVKLFRIOCON-NEPJUHHUSA-N 0 0 330.406 0.586 10 0 ECAERN CN1CCN(C(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2ccccc2)CC1=O ZINC000172609838 290019264 /nfs/dbraw/zinc/01/92/64/290019264.db2.gz SJHAXWKXLFRXRQ-RHSMWYFYSA-N 0 0 329.400 0.897 10 0 ECAERN O=C1[C@H](N2CCN(c3cncc4ncnn43)CC2)CCN1C1CC1 ZINC000332994048 297097864 /nfs/dbraw/zinc/09/78/64/297097864.db2.gz BTUMUXZSBQLOCF-CYBMUJFWSA-N 0 0 327.392 0.010 10 0 ECAERN CN(CC(N)=O)C[C@H]1CN(C(=O)c2csc3cncn32)CCO1 ZINC000333004104 297099213 /nfs/dbraw/zinc/09/92/13/297099213.db2.gz DKDGJLHKAYFEEC-JTQLQIEISA-N 0 0 337.405 0.704 10 0 ECAERN CO[C@@H]1COC[C@H]1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000333590987 297143289 /nfs/dbraw/zinc/14/32/89/297143289.db2.gz SSGPQZNLRUNROD-HUUCEWRRSA-N 0 0 344.408 0.546 10 0 ECAERN CC(C)[C@@H]1N(C(=O)NCCC(=O)N2CCOCC2)C[C@@]12CCCO2 ZINC000333962211 297157368 /nfs/dbraw/zinc/15/73/68/297157368.db2.gz MTKCTVHKJSESIO-RDJZCZTQSA-N 0 0 339.436 0.834 10 0 ECAERN Cc1nnc([C@H]2CCN(C(=O)[C@@H]3COCCN3CC3CCC3)C2)[nH]1 ZINC000334115886 297164249 /nfs/dbraw/zinc/16/42/49/297164249.db2.gz HDTLOQQJFXXTDP-GJZGRUSLSA-N 0 0 333.436 0.930 10 0 ECAERN O=C(N1CCCC1)[C@]1(O)CCCN(Cc2cn3cccnc3n2)C1 ZINC000346709221 298324909 /nfs/dbraw/zinc/32/49/09/298324909.db2.gz NIYFRPROOKBUFA-KRWDZBQOSA-N 0 0 329.404 0.679 10 0 ECAERN NC(=O)COc1cccc(CNC(=O)N2C[C@H](F)C[C@@H]2CO)c1 ZINC000347452474 298454933 /nfs/dbraw/zinc/45/49/33/298454933.db2.gz BYLFAIIMBJURDL-VXGBXAGGSA-N 0 0 325.340 0.165 10 0 ECAERN CN1C(=O)CO[C@H](C(=O)N2C[C@H](O)C(C)(C)C2)[C@@H]1c1ccccc1 ZINC000368456345 300666394 /nfs/dbraw/zinc/66/63/94/300666394.db2.gz ZKLSFAKRRLUQMM-BPUTZDHNSA-N 0 0 332.400 0.814 10 0 ECAERN CCOC(=O)CSc1nnc(N)n1CC(=O)Nc1nccs1 ZINC000001923582 435962100 /nfs/dbraw/zinc/96/21/00/435962100.db2.gz INTWGZKXTOSMLJ-UHFFFAOYSA-N 0 0 342.406 0.611 10 0 ECAERN CC[C@@H](C)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]([NH3+])[C@@H](C)CC)C(=O)[O-] ZINC000001607998 435962189 /nfs/dbraw/zinc/96/21/89/435962189.db2.gz JNTMAZFVYNDPLB-MEBFFEOJSA-N 0 0 341.452 0.966 10 0 ECAERN COc1ccc(-c2cc(C[C@@H](O)CO)ccc2O)cc1C[C@@H](O)CO ZINC000072107323 436032884 /nfs/dbraw/zinc/03/28/84/436032884.db2.gz LOZQPRNAFFRXNY-HZPDHXFCSA-N 0 0 348.395 0.859 10 0 ECAERN CC(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000370492605 300834507 /nfs/dbraw/zinc/83/45/07/300834507.db2.gz RRZZMPOMHZVYTG-GDZNZVCISA-N 0 0 337.420 0.884 10 0 ECAERN CNC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccs1 ZINC000025598320 436154081 /nfs/dbraw/zinc/15/40/81/436154081.db2.gz OQNVKQBTOFUKBO-CYBMUJFWSA-N 0 0 345.424 0.951 10 0 ECAERN COc1cc(C)c(S(=O)(=O)NC[C@H]2CN(C)CCO2)cc1C ZINC000074773639 436138721 /nfs/dbraw/zinc/13/87/21/436138721.db2.gz JVJUYDNREDHCKD-ZDUSSCGKSA-N 0 0 328.434 0.921 10 0 ECAERN Cc1nnc2n1CCN(C(=O)c1ccc(S(=O)(=O)N(C)C)cc1)C2 ZINC000074815841 436142402 /nfs/dbraw/zinc/14/24/02/436142402.db2.gz ZAIBSNYNJQQWQD-UHFFFAOYSA-N 0 0 349.416 0.493 10 0 ECAERN O=C(CN1CCN(C[C@H](O)COCc2ccccc2)CC1)NC1CC1 ZINC000025300772 436149539 /nfs/dbraw/zinc/14/95/39/436149539.db2.gz SZTJOIRABNFWHO-SFHVURJKSA-N 0 0 347.459 0.460 10 0 ECAERN CCn1cc([C@H]2CN(C(=O)[C@H]3CSCN3C(C)=O)CCO2)cn1 ZINC000372816890 301031771 /nfs/dbraw/zinc/03/17/71/301031771.db2.gz DDPLAPNLRZPPGZ-ZIAGYGMSSA-N 0 0 338.433 0.724 10 0 ECAERN C[C@H]1C(=O)NCCCN1C(=O)c1ccc([C@@]2(C)NC(=O)NC2=O)cc1 ZINC000373763421 301080626 /nfs/dbraw/zinc/08/06/26/301080626.db2.gz PJHUELOEJUICHH-DYZYQPBXSA-N 0 0 344.371 0.092 10 0 ECAERN NC(=O)[C@]1(O)CCCN(C(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)C1 ZINC000375736158 301204002 /nfs/dbraw/zinc/20/40/02/301204002.db2.gz XUDABRFDNHZFDM-BZNIZROVSA-N 0 0 335.335 0.090 10 0 ECAERN NC(=O)[C@@]1(O)CCCN(C(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)C1 ZINC000375736157 301204104 /nfs/dbraw/zinc/20/41/04/301204104.db2.gz XUDABRFDNHZFDM-BDJLRTHQSA-N 0 0 335.335 0.090 10 0 ECAERN Cc1ccccc1[C@H](CC(=O)NC[C@H](C)N1CCOCC1)NC(N)=O ZINC000076148839 436192243 /nfs/dbraw/zinc/19/22/43/436192243.db2.gz FIWSWVDHCUWVCD-HOCLYGCPSA-N 0 0 348.447 0.931 10 0 ECAERN COC(=O)[C@@H]1CCCCN1CC(=O)N1CCN(Cc2ccco2)CC1 ZINC000076801296 436215979 /nfs/dbraw/zinc/21/59/79/436215979.db2.gz UFFIVIFEDHBLSR-INIZCTEOSA-N 0 0 349.431 0.951 10 0 ECAERN NS(=O)(=O)c1ccc(S(=O)(=O)NCC[C@H]2CCCO2)cc1 ZINC000044315580 436339632 /nfs/dbraw/zinc/33/96/32/436339632.db2.gz HVZIYQMQPGEFFO-SNVBAGLBSA-N 0 0 334.419 0.181 10 0 ECAERN CCc1nnc(CS(=O)(=O)CC(=O)N[C@H]2CCCC[C@H]2C)n1C ZINC000091049661 436438955 /nfs/dbraw/zinc/43/89/55/436438955.db2.gz MYRJSTFDPXHMTF-NEPJUHHUSA-N 0 0 342.465 0.987 10 0 ECAERN O=C(C[C@@H](O)c1ccc(Cl)cc1)NC[C@@H](O)CN1CCOCC1 ZINC000091036194 436439129 /nfs/dbraw/zinc/43/91/29/436439129.db2.gz HPUYVQXCQAKOFY-HUUCEWRRSA-N 0 0 342.823 0.573 10 0 ECAERN Cc1cc(C)n(Cc2ccc(C(=O)N3CCOC[C@@H]3C(N)=O)cc2)n1 ZINC000091785609 436461169 /nfs/dbraw/zinc/46/11/69/436461169.db2.gz UQGYEZGUGGKBOA-MRXNPFEDSA-N 0 0 342.399 0.875 10 0 ECAERN CC(C)[C@@H](CNC(=O)CN1CCOC[C@@H]1C(N)=O)c1ccccc1 ZINC000092230252 436468862 /nfs/dbraw/zinc/46/88/62/436468862.db2.gz BYEZPDQCOAZLKC-HZPDHXFCSA-N 0 0 333.432 0.729 10 0 ECAERN COc1cccc(CC(=O)N2C[C@H]3C[C@@H]2[C@@H](NS(C)(=O)=O)C3)c1 ZINC000096095779 436512678 /nfs/dbraw/zinc/51/26/78/436512678.db2.gz NIKLJUJDTJVJKD-VHDGCEQUSA-N 0 0 338.429 0.776 10 0 ECAERN COCCCNC(=O)[C@H](C)N1CCC(N(C)c2cccnn2)CC1 ZINC000105806850 436578050 /nfs/dbraw/zinc/57/80/50/436578050.db2.gz AGZOVJUMQGWTDT-AWEZNQCLSA-N 0 0 335.452 0.918 10 0 ECAERN CN1CCO[C@@H](CNC(=O)NCCN2C(=O)Cc3ccccc32)C1 ZINC000104794982 436562198 /nfs/dbraw/zinc/56/21/98/436562198.db2.gz LACONFBPGOJWQM-AWEZNQCLSA-N 0 0 332.404 0.206 10 0 ECAERN CCCC(=O)NC[C@@H]1CCCN(C(=O)NC[C@H]2CN(C)CCO2)C1 ZINC000105279434 436572497 /nfs/dbraw/zinc/57/24/97/436572497.db2.gz GITPMEUZIUDMEL-GJZGRUSLSA-N 0 0 340.468 0.655 10 0 ECAERN NC(=O)c1ccccc1NC(=O)CN1CCO[C@@H](Cn2cccn2)C1 ZINC000105889683 436584276 /nfs/dbraw/zinc/58/42/76/436584276.db2.gz BBUBCAHOZNCWQP-CYBMUJFWSA-N 0 0 343.387 0.322 10 0 ECAERN CCCC[C@@H](C(=O)OC)N1CCN(c2ccc3nncn3n2)CC1 ZINC000105911242 436587257 /nfs/dbraw/zinc/58/72/57/436587257.db2.gz SWPGQBWMDCVQPY-ZDUSSCGKSA-N 0 0 332.408 0.978 10 0 ECAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NC[C@@H](C)Cn1cccn1 ZINC000058996579 436631022 /nfs/dbraw/zinc/63/10/22/436631022.db2.gz MLBNULLULDPFJG-KGLIPLIRSA-N 0 0 342.465 0.840 10 0 ECAERN CN1CCN(C(=O)CCNC(=O)N[C@H]2COc3ccccc32)CC1 ZINC000060587323 436634560 /nfs/dbraw/zinc/63/45/60/436634560.db2.gz MWUZJWBMKGXILT-AWEZNQCLSA-N 0 0 332.404 0.583 10 0 ECAERN CC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCc3ncnn3C2)cc1 ZINC000113299150 436636923 /nfs/dbraw/zinc/63/69/23/436636923.db2.gz NITGLIOBYNEPGM-LBPRGKRZSA-N 0 0 335.389 0.530 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)c1ccc3c(c1)NC(=O)CO3)CC2 ZINC000114870368 436644728 /nfs/dbraw/zinc/64/47/28/436644728.db2.gz YDLTYURHLZUQHJ-LLVKDONJSA-N 0 0 341.371 0.916 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1sccc1-n1cnnn1)CC2 ZINC000114872570 436644894 /nfs/dbraw/zinc/64/48/94/436644894.db2.gz WOAMDPSTKNPNPK-VIFPVBQESA-N 0 0 344.404 0.623 10 0 ECAERN CNc1c(C(=O)N(C)OC)cnn(Cc2ccc(OC)cc2)c1=O ZINC000115823774 436648635 /nfs/dbraw/zinc/64/86/35/436648635.db2.gz QIRNIUPHSWFDQA-UHFFFAOYSA-N 0 0 332.360 0.975 10 0 ECAERN COCCn1ccc(NC(=O)N2CCO[C@H](Cn3cccn3)C2)n1 ZINC000150816304 436690669 /nfs/dbraw/zinc/69/06/69/436690669.db2.gz MEHZCSRTUDDLNZ-ZDUSSCGKSA-N 0 0 334.380 0.659 10 0 ECAERN CC[C@@](C)(O)CNC(=O)[C@H]1CCC[C@H]1C(=O)NC[C@@](C)(O)CC ZINC000120826655 436700015 /nfs/dbraw/zinc/70/00/15/436700015.db2.gz IDSIIMQRBSKWOS-GANFFNEQSA-N 0 0 328.453 0.957 10 0 ECAERN Cc1cc(N2CCC[C@@H](NC(=O)C3CCC(O)CC3)C2=O)n(C)n1 ZINC000194365895 436664460 /nfs/dbraw/zinc/66/44/60/436664460.db2.gz WOVWADGEPAOXAJ-JXQTWKCFSA-N 0 0 334.420 0.891 10 0 ECAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccc(=O)n(C)c1 ZINC000065656090 436670727 /nfs/dbraw/zinc/67/07/27/436670727.db2.gz HZUALVTULWTLLT-GFCCVEGCSA-N 0 0 327.406 0.528 10 0 ECAERN Cn1ccnc1C[C@H]1CCCN(C(=O)N[C@@H]2CCc3ncnn3C2)C1 ZINC000141491370 436671102 /nfs/dbraw/zinc/67/11/02/436671102.db2.gz OLTABQREBKPJAF-ZIAGYGMSSA-N 0 0 343.435 0.991 10 0 ECAERN CC(C)C(=O)NCCCNC(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000121792767 436724067 /nfs/dbraw/zinc/72/40/67/436724067.db2.gz QSPBURCXXCVDQR-CQSZACIVSA-N 0 0 337.424 0.456 10 0 ECAERN CC[C@H]1CN(C(=O)C(=O)Nc2ncc(C)s2)CCN1CCOC ZINC000123759840 436742190 /nfs/dbraw/zinc/74/21/90/436742190.db2.gz WCQKCAWALQAOFT-LBPRGKRZSA-N 0 0 340.449 0.959 10 0 ECAERN CC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2ccn(CCC(C)C)n2)C1 ZINC000153590509 436760548 /nfs/dbraw/zinc/76/05/48/436760548.db2.gz HBGJIAYAXWZUFX-AWEZNQCLSA-N 0 0 349.435 0.995 10 0 ECAERN O=C(N[C@H]1CCc2ncnn2C1)N1CC[C@H](Oc2ccncc2)C1 ZINC000153768219 436764083 /nfs/dbraw/zinc/76/40/83/436764083.db2.gz NKTUMADFGXXAFS-JSGCOSHPSA-N 0 0 328.376 0.851 10 0 ECAERN Cc1nc(C(=O)N[C@@H]2CCc3nc(C(C)C)nn3C2)c(=O)[nH]c1C ZINC000153964129 436766725 /nfs/dbraw/zinc/76/67/25/436766725.db2.gz WRHBWQKKUUNFGU-LLVKDONJSA-N 0 0 330.392 0.846 10 0 ECAERN O=C(NC[C@H](O)CN1CCOCC1)c1csc(-c2ccoc2)n1 ZINC000128068560 436811742 /nfs/dbraw/zinc/81/17/42/436811742.db2.gz MUWQYOQPFDEKCE-LBPRGKRZSA-N 0 0 337.401 0.826 10 0 ECAERN CCCC[C@H](NC(=O)NCC)C(=O)N1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000246344163 436776431 /nfs/dbraw/zinc/77/64/31/436776431.db2.gz VWQQNYFZCWPZPT-KKUMJFAQSA-N 0 0 342.484 0.778 10 0 ECAERN CN1CCO[C@H](CNC(=O)N[C@H]2CCCN(c3ccccc3)C2=O)C1 ZINC000246709010 436785079 /nfs/dbraw/zinc/78/50/79/436785079.db2.gz LHQYDJZCGOADQT-CVEARBPZSA-N 0 0 346.431 0.812 10 0 ECAERN CCOCCN1CCN([C@@H]2CCN(c3cc(C)nn3C)C2=O)C[C@H]1C ZINC000246818162 436785313 /nfs/dbraw/zinc/78/53/13/436785313.db2.gz AEYAPMNBUZDDMH-HZPDHXFCSA-N 0 0 349.479 0.876 10 0 ECAERN CCOCCN1CCN(CC(=O)N(C)Cc2cnn(C)c2)C[C@H]1C ZINC000247439888 436792829 /nfs/dbraw/zinc/79/28/29/436792829.db2.gz ZSQAVQVTPNQUDS-OAHLLOKOSA-N 0 0 337.468 0.421 10 0 ECAERN Cc1ccc(-c2cc(C(=O)NC[C@@H](O)CN3CCOCC3)[nH]n2)cc1 ZINC000129024853 436822215 /nfs/dbraw/zinc/82/22/15/436822215.db2.gz HPFDHGIWZYPKHN-OAHLLOKOSA-N 0 0 344.415 0.808 10 0 ECAERN Cc1ccc(-c2cc(C(=O)NC[C@H](O)CN3CCOCC3)[nH]n2)cc1 ZINC000129024620 436823073 /nfs/dbraw/zinc/82/30/73/436823073.db2.gz HPFDHGIWZYPKHN-HNNXBMFYSA-N 0 0 344.415 0.808 10 0 ECAERN C[C@@H](NC(=O)NCC(=O)N1CCCCC1)c1nnc2n1CCCC2 ZINC000162862179 436914772 /nfs/dbraw/zinc/91/47/72/436914772.db2.gz DWHUSWZKTVDZMA-GFCCVEGCSA-N 0 0 334.424 0.987 10 0 ECAERN COCC(=O)N[C@H](C(=O)N1CCC[C@@H](Cn2cncn2)C1)C(C)C ZINC000133968932 436887204 /nfs/dbraw/zinc/88/72/04/436887204.db2.gz QFKCHACVIWFESI-HIFRSBDPSA-N 0 0 337.424 0.304 10 0 ECAERN C[C@@H]1C[C@@H]1NC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000171069543 436965613 /nfs/dbraw/zinc/96/56/13/436965613.db2.gz LAGZVWLJWPXWFR-PWSUYJOCSA-N 0 0 344.458 0.836 10 0 ECAERN Cc1cc(C)n(-c2ccc(C(=O)NC[C@H]3CN(C)CCO3)cn2)n1 ZINC000171287783 436976326 /nfs/dbraw/zinc/97/63/26/436976326.db2.gz JVHAVBNBKOFJLW-HNNXBMFYSA-N 0 0 329.404 0.945 10 0 ECAERN COc1ccnc(C(=O)N2CCN(c3ccc4nncn4n3)CC2)c1 ZINC000136391563 436931333 /nfs/dbraw/zinc/93/13/33/436931333.db2.gz QSRUESXOFFYSLA-UHFFFAOYSA-N 0 0 339.359 0.490 10 0 ECAERN Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)nn1-c1ccccn1 ZINC000169015219 436943205 /nfs/dbraw/zinc/94/32/05/436943205.db2.gz SCHDECVZCIWAAO-UHFFFAOYSA-N 0 0 331.361 0.636 10 0 ECAERN CS(=O)(=O)Nc1ccc(CNC(=O)[C@H]2CC(F)(F)CN2)cc1 ZINC000262937653 436945388 /nfs/dbraw/zinc/94/53/88/436945388.db2.gz IMZIIFPFCJXJHN-LLVKDONJSA-N 0 0 333.360 0.672 10 0 ECAERN C[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)[C@H]1CC(F)(F)CN1 ZINC000263174553 436953656 /nfs/dbraw/zinc/95/36/56/436953656.db2.gz GCNSCEWJBKLVRP-GXFFZTMASA-N 0 0 336.342 0.898 10 0 ECAERN C[N@@H+](CC(=O)[O-])C[C@H]1CN(C(=O)NCC2(C)CCCC2)CCO1 ZINC000263212771 436954831 /nfs/dbraw/zinc/95/48/31/436954831.db2.gz JAVHGQPWABGJRJ-ZDUSSCGKSA-N 0 0 327.425 0.994 10 0 ECAERN CCS(=O)(=O)CCNC(=O)N1CCC[C@H](Cc2noc(C)n2)C1 ZINC000170878018 436958858 /nfs/dbraw/zinc/95/88/58/436958858.db2.gz JQGBQUDXIURPOG-GFCCVEGCSA-N 0 0 344.437 0.777 10 0 ECAERN CC(C)c1nnc2n1C[C@@H](NC(=O)CNC(=O)c1ccccn1)CC2 ZINC000172533893 437018216 /nfs/dbraw/zinc/01/82/16/437018216.db2.gz UZAILZSRZICDPS-LBPRGKRZSA-N 0 0 342.403 0.658 10 0 ECAERN O=C(N[C@@H]1CCc2ncnn2C1)N1CCN(CC(F)(F)F)CC1 ZINC000172604086 437022638 /nfs/dbraw/zinc/02/26/38/437022638.db2.gz LFDRPIQKTZNLEH-SNVBAGLBSA-N 0 0 332.330 0.482 10 0 ECAERN CCC(CC)[C@@H](C(=O)NC[C@H](C)N1CCOCC1)N1CCOCC1 ZINC000173067327 437036729 /nfs/dbraw/zinc/03/67/29/437036729.db2.gz QQWJAKDBKHMIPE-RDJZCZTQSA-N 0 0 341.496 0.960 10 0 ECAERN O=C([C@H]1CC[C@@H](C(F)(F)F)NC1=O)N1CC[C@H](N2CCOCC2)C1 ZINC000172743997 437027737 /nfs/dbraw/zinc/02/77/37/437027737.db2.gz MOZAZNTYXWAIPW-SRVKXCTJSA-N 0 0 349.353 0.377 10 0 ECAERN CC(C)Cn1c(N)c(C(=O)CN2CCS[C@H](C)C2)c(=O)[nH]c1=O ZINC000171695597 436985235 /nfs/dbraw/zinc/98/52/35/436985235.db2.gz JTDBPFLPDVOTIN-SNVBAGLBSA-N 0 0 340.449 0.395 10 0 ECAERN CCOCCN1CCN(S(=O)(=O)C[C@@H]2CCCO2)C[C@@H]1CC ZINC000172030426 436997412 /nfs/dbraw/zinc/99/74/12/436997412.db2.gz ZRBIBTAMTZVJNQ-GJZGRUSLSA-N 0 0 334.482 0.928 10 0 ECAERN COCCN1CCN(C(=O)NCCNC(=O)C(C)(C)C)C[C@@H]1C ZINC000172333257 437010363 /nfs/dbraw/zinc/01/03/63/437010363.db2.gz CYSCGMJGZSUAEU-ZDUSSCGKSA-N 0 0 328.457 0.511 10 0 ECAERN COc1ncccc1C(=O)N[C@@H]1CCCN(c2ncc[nH]c2=O)C1 ZINC000275761062 437011142 /nfs/dbraw/zinc/01/11/42/437011142.db2.gz QTRPQFFCMAAPHN-LLVKDONJSA-N 0 0 329.360 0.985 10 0 ECAERN CS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000172384342 437012535 /nfs/dbraw/zinc/01/25/35/437012535.db2.gz DPNRAUQFRZIJOJ-CYBMUJFWSA-N 0 0 326.422 0.540 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NS(=O)(=O)CC1CCOCC1)CC2 ZINC000173154587 437040173 /nfs/dbraw/zinc/04/01/73/437040173.db2.gz JNRDCCQZFCASNZ-LBPRGKRZSA-N 0 0 328.438 0.501 10 0 ECAERN Cc1cnn(CCNC(=O)N[C@@H]2CCCN(c3ccn(C)n3)C2=O)c1 ZINC000173204222 437041727 /nfs/dbraw/zinc/04/17/27/437041727.db2.gz YJMBHQJVKUZMJK-CYBMUJFWSA-N 0 0 345.407 0.420 10 0 ECAERN C[C@@H](CNC(=O)c1cn(Cc2cccs2)nn1)N1CCOCC1 ZINC000173412017 437047982 /nfs/dbraw/zinc/04/79/82/437047982.db2.gz WPXYOWLDQBJXAQ-LBPRGKRZSA-N 0 0 335.433 0.838 10 0 ECAERN CNC(=O)C1(C(=O)NC[C@H]2CCCN2c2cc(NC)ncn2)CC1 ZINC000173432609 437049973 /nfs/dbraw/zinc/04/99/73/437049973.db2.gz VPWMDHOGUCSJNB-LLVKDONJSA-N 0 0 332.408 0.130 10 0 ECAERN CCCC(=O)NCC(=O)NC[C@H]1CCCN1c1cc(NC)ncn1 ZINC000173436518 437050542 /nfs/dbraw/zinc/05/05/42/437050542.db2.gz AQDSFKFVFDFKLR-GFCCVEGCSA-N 0 0 334.424 0.520 10 0 ECAERN CCN1CCO[C@@H](C(=O)N[C@@H]2CCCN(c3cc(C)nn3C)C2=O)C1 ZINC000173449910 437051355 /nfs/dbraw/zinc/05/13/55/437051355.db2.gz HYXMHNQUQVZVBA-ZIAGYGMSSA-N 0 0 349.435 0.061 10 0 ECAERN Cc1nnc([C@@H]2CN(S(=O)(=O)c3c(C)nn(C)c3C)CCO2)[nH]1 ZINC000173736825 437062840 /nfs/dbraw/zinc/06/28/40/437062840.db2.gz IZWWSOOOGKQSJT-NSHDSACASA-N 0 0 340.409 0.226 10 0 ECAERN NC(=O)c1cccc(CCNC(=O)N2CC[C@H](N3CCOCC3)C2)c1 ZINC000173800251 437064132 /nfs/dbraw/zinc/06/41/32/437064132.db2.gz ATDTYSQLQGSSQF-INIZCTEOSA-N 0 0 346.431 0.444 10 0 ECAERN CCN(CC)C(=O)CCCNC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000173786715 437064406 /nfs/dbraw/zinc/06/44/06/437064406.db2.gz KRYVURXEJWUCIP-HNNXBMFYSA-N 0 0 340.468 0.751 10 0 ECAERN CNC(=O)c1cccc(CNC(=O)N2CC[C@@H](N3CCOCC3)C2)c1 ZINC000173856377 437065755 /nfs/dbraw/zinc/06/57/55/437065755.db2.gz AXXZOFGIGXUQSY-MRXNPFEDSA-N 0 0 346.431 0.662 10 0 ECAERN C[C@@H]1CN(C(=O)CN2CCCCCCC2=O)C[C@H]1N1CCOCC1 ZINC000173828693 437066385 /nfs/dbraw/zinc/06/63/85/437066385.db2.gz ZOYCTULYQQMJBI-HZPDHXFCSA-N 0 0 337.464 0.958 10 0 ECAERN CCNS(=O)(=O)N(C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000175213308 437098225 /nfs/dbraw/zinc/09/82/25/437098225.db2.gz TXYRGYYANZACIZ-LBPRGKRZSA-N 0 0 333.479 0.908 10 0 ECAERN COCCCOC1CCN(C(=O)N[C@H]2CCc3ncnn3C2)CC1 ZINC000175116285 437095746 /nfs/dbraw/zinc/09/57/46/437095746.db2.gz CZMOGTNOSCLUDY-ZDUSSCGKSA-N 0 0 337.424 0.820 10 0 ECAERN Cc1cnn(CCNC(=O)c2cc(S(=O)(=O)N(C)C)oc2C)c1 ZINC000175424752 437104529 /nfs/dbraw/zinc/10/45/29/437104529.db2.gz FMKDWAMZYDHIDE-UHFFFAOYSA-N 0 0 340.405 0.773 10 0 ECAERN COC(=O)c1cn(C2CCN(c3nccnc3N(C)C)CC2)nn1 ZINC000302176309 437140793 /nfs/dbraw/zinc/14/07/93/437140793.db2.gz CEFJSRHVTANAFD-UHFFFAOYSA-N 0 0 331.380 0.762 10 0 ECAERN CCN(CC)S(=O)(=O)CC(=O)N[C@@H]1CCCn2nc(C)nc21 ZINC000176545160 437146022 /nfs/dbraw/zinc/14/60/22/437146022.db2.gz HFGHZLQBYAGYRZ-LLVKDONJSA-N 0 0 329.426 0.209 10 0 ECAERN Cn1ncc2c1nc(N1CCN(C(=O)c3ccoc3)CC1)nc2N ZINC000302853492 437150300 /nfs/dbraw/zinc/15/03/00/437150300.db2.gz QWGSLMUCFMSUGP-UHFFFAOYSA-N 0 0 327.348 0.501 10 0 ECAERN O=S1(=O)N=C(NC2CCN([C@H]3CCOC3)CC2)c2ccccc21 ZINC000301808517 437132648 /nfs/dbraw/zinc/13/26/48/437132648.db2.gz AUAQVPPOHGGZDZ-ZDUSSCGKSA-N 0 0 335.429 0.978 10 0 ECAERN CC(C)(C)OC(=O)[C@H]1CCN(C(=O)N[C@H]2CCc3ncnn3C2)C1 ZINC000176273513 437138812 /nfs/dbraw/zinc/13/88/12/437138812.db2.gz NKPBNURRAJEKLV-RYUDHWBXSA-N 0 0 335.408 0.966 10 0 ECAERN COc1c(C)ccc(NC(=O)C(=O)N[C@@H]2CCc3ncnn3C2)c1C ZINC000177630175 437192092 /nfs/dbraw/zinc/19/20/92/437192092.db2.gz GPSVUEAIYSQSOO-GFCCVEGCSA-N 0 0 343.387 0.973 10 0 ECAERN CC(C)n1nccc1NC(=O)C(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000177653884 437193577 /nfs/dbraw/zinc/19/35/77/437193577.db2.gz KTXZMVVXEGSAGO-CYBMUJFWSA-N 0 0 346.391 0.527 10 0 ECAERN O=S(=O)(Cc1coc(-c2ccc(F)c(F)c2)n1)C[C@@H](O)CO ZINC000177672245 437194474 /nfs/dbraw/zinc/19/44/74/437194474.db2.gz LKKPHVQYDOZEOK-JTQLQIEISA-N 0 0 333.312 0.888 10 0 ECAERN CCc1ccc(-c2noc(CS(=O)(=O)C[C@@H](O)CO)n2)cc1 ZINC000177670828 437194607 /nfs/dbraw/zinc/19/46/07/437194607.db2.gz YQQNYFRIBCZWBO-LBPRGKRZSA-N 0 0 326.374 0.567 10 0 ECAERN O=C(CN1C(=O)NC2(CCCC2)C1=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000177777806 437198284 /nfs/dbraw/zinc/19/82/84/437198284.db2.gz BZEQRRDWVYEXJX-CYBMUJFWSA-N 0 0 345.403 0.739 10 0 ECAERN CNC(=O)[C@H](NC(=O)[C@H]1CCCN(C(=O)N2CCCC2)C1)C(C)C ZINC000178683793 437224975 /nfs/dbraw/zinc/22/49/75/437224975.db2.gz PCQYWNNUPJNFNR-UONOGXRCSA-N 0 0 338.452 0.801 10 0 ECAERN COC[C@@H](C)S(=O)(=O)N1CC[C@](O)(c2nc(C3CC3)no2)C1 ZINC000328609171 437239742 /nfs/dbraw/zinc/23/97/42/437239742.db2.gz CKWWARXEMRLGTL-NOZJJQNGSA-N 0 0 331.394 0.205 10 0 ECAERN CCN1CCN(C(=O)CS(=O)(=O)CC)C[C@@H]1c1nccn1C ZINC000328626912 437242145 /nfs/dbraw/zinc/24/21/45/437242145.db2.gz MEJKBQCVLAOEHW-GFCCVEGCSA-N 0 0 328.438 0.060 10 0 ECAERN CN(C)c1ncccc1O[C@@H]1CCN(C(=O)c2cnn(C)c2N)C1 ZINC000328630018 437242528 /nfs/dbraw/zinc/24/25/28/437242528.db2.gz PJISFYQVNBIBET-LLVKDONJSA-N 0 0 330.392 0.757 10 0 ECAERN CCc1nnc2n1CCN(C1CN(C(=O)[C@@H](C)OCC3CC3)C1)C2 ZINC000328641624 437243195 /nfs/dbraw/zinc/24/31/95/437243195.db2.gz QQSOWCKJZZHFJB-GFCCVEGCSA-N 0 0 333.436 0.682 10 0 ECAERN Cc1nnc(CN(C)[C@H]2CN(C(=O)CCCn3cccc3)C[C@H]2O)o1 ZINC000328649788 437245875 /nfs/dbraw/zinc/24/58/75/437245875.db2.gz VCSPABDLTUJRAB-LSDHHAIUSA-N 0 0 347.419 0.663 10 0 ECAERN Cc1cnn(C[C@@H]2CN([C@H]3CCN(C4CCOCC4)C3=O)CCO2)c1 ZINC000328667390 437248560 /nfs/dbraw/zinc/24/85/60/437248560.db2.gz KVPITVWGAVSYLI-IRXDYDNUSA-N 0 0 348.447 0.672 10 0 ECAERN CCn1c(=O)n(CCCN2C(=O)CNC2=O)nc1[C@H]1OCC[C@H]1C ZINC000328657070 437248844 /nfs/dbraw/zinc/24/88/44/437248844.db2.gz ZYQHDEIJFMIWGN-PWSUYJOCSA-N 0 0 337.380 0.309 10 0 ECAERN CCn1ncc2ccc(NC(=O)C(=O)N[C@@H](C(=O)NC)C(C)C)cc21 ZINC000179078633 437251359 /nfs/dbraw/zinc/25/13/59/437251359.db2.gz OTISBDIHTNOAEW-CQSZACIVSA-N 0 0 345.403 0.882 10 0 ECAERN CNC(=O)[C@H](NC(=O)CNC(=O)c1cc2ccccc2[nH]1)C(C)C ZINC000179123967 437251929 /nfs/dbraw/zinc/25/19/29/437251929.db2.gz PJBUKLIPGUMXLY-OAHLLOKOSA-N 0 0 330.388 0.785 10 0 ECAERN CN(C)C(=O)[C@H]1CCCN1c1cc(N2CCC[C@H](CO)C2)ncn1 ZINC000267238207 437309242 /nfs/dbraw/zinc/30/92/42/437309242.db2.gz RIPKESMEWUOAPB-UONOGXRCSA-N 0 0 333.436 0.742 10 0 ECAERN CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)N2CCC(c3cc[nH]n3)CC2)O1 ZINC000181240380 437314012 /nfs/dbraw/zinc/31/40/12/437314012.db2.gz SFRFJRJRGGCTHA-UKRRQHHQSA-N 0 0 349.435 0.935 10 0 ECAERN CCn1cc(NC(=O)C(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)cn1 ZINC000180247723 437282555 /nfs/dbraw/zinc/28/25/55/437282555.db2.gz RJTFDSPIRNZWRM-OCCSQVGLSA-N 0 0 335.408 0.021 10 0 ECAERN CCc1nn(C)cc1C(=O)N[C@@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000180330529 437288026 /nfs/dbraw/zinc/28/80/26/437288026.db2.gz XHCMTXDVQLTHIS-CQSZACIVSA-N 0 0 344.419 0.950 10 0 ECAERN Cc1ncc(CN2CCN(CC(=O)N3CCN(C)CC3)CC2)s1 ZINC000180476340 437291920 /nfs/dbraw/zinc/29/19/20/437291920.db2.gz ICGROFAIBNYMRR-UHFFFAOYSA-N 0 0 337.493 0.343 10 0 ECAERN CN1CCc2ccc(NC(=O)C(=O)NC[C@@H]3CN(C)CCO3)cc21 ZINC000180587930 437293313 /nfs/dbraw/zinc/29/33/13/437293313.db2.gz STMMATBMNPJGIB-CQSZACIVSA-N 0 0 332.404 0.064 10 0 ECAERN Cn1cnn(CC(=O)N[C@@H](Cc2ccccc2)C(F)(F)F)c1=O ZINC000182474103 437349965 /nfs/dbraw/zinc/34/99/65/437349965.db2.gz ZUJHLJWOJOKRIO-NSHDSACASA-N 0 0 328.294 0.872 10 0 ECAERN CCOCCN1CCN(C(=O)c2cnc3c(c2)nnn3C)C[C@H]1CC ZINC000182705279 437360942 /nfs/dbraw/zinc/36/09/42/437360942.db2.gz YTLUDLCNNXEMBM-CQSZACIVSA-N 0 0 346.435 0.936 10 0 ECAERN CC(C)c1nnc2n1C[C@H](NC(=O)N1CCNC(=O)[C@H]1C(C)C)CC2 ZINC000181760353 437329873 /nfs/dbraw/zinc/32/98/73/437329873.db2.gz APAMEFVMOFXPTO-TZMCWYRMSA-N 0 0 348.451 0.882 10 0 ECAERN CC1([C@@H]2CCCN(C(=O)N[C@H]3CCc4ncnn4C3)C2)OCCO1 ZINC000181800029 437330935 /nfs/dbraw/zinc/33/09/35/437330935.db2.gz QDBQLUNDZDMEST-OLZOCXBDSA-N 0 0 335.408 0.778 10 0 ECAERN CC(C)c1nnc2n1C[C@@H](NC(=O)N1CCNC(=O)[C@@H]1C(C)C)CC2 ZINC000181760338 437330994 /nfs/dbraw/zinc/33/09/94/437330994.db2.gz APAMEFVMOFXPTO-JSGCOSHPSA-N 0 0 348.451 0.882 10 0 ECAERN COCC(=O)NC1CN(C(=O)[C@@H]2COc3ccc(Cl)cc3C2)C1 ZINC000185227888 437432007 /nfs/dbraw/zinc/43/20/07/437432007.db2.gz DZCVPTWATRJLFQ-NSHDSACASA-N 0 0 338.791 0.865 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1ccc3nnn(C)c3c1)CC2 ZINC000185245365 437431772 /nfs/dbraw/zinc/43/17/72/437431772.db2.gz ZKWHSNNHUJURSG-NSHDSACASA-N 0 0 325.376 0.867 10 0 ECAERN COc1cc(C(=O)N[C@H]2CCCN(c3cc(C)nn3C)C2=O)on1 ZINC000183989170 437396797 /nfs/dbraw/zinc/39/67/97/437396797.db2.gz HMXMJZDIWDFRKS-JTQLQIEISA-N 0 0 333.348 0.651 10 0 ECAERN Cc1oc2ncn(C)c(=O)c2c1C(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188542644 437554853 /nfs/dbraw/zinc/55/48/53/437554853.db2.gz RBXDGNBKDDUZGH-UHFFFAOYSA-N 0 0 344.371 0.576 10 0 ECAERN Cc1nn(C)c(-n2cccn2)c1C(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000189156573 437584460 /nfs/dbraw/zinc/58/44/60/437584460.db2.gz CASSFRDHCGQWAW-CYBMUJFWSA-N 0 0 340.391 0.983 10 0 ECAERN CC(=O)NC1CN(C(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2ccccc2)C1 ZINC000191493829 437654696 /nfs/dbraw/zinc/65/46/96/437654696.db2.gz TWTGSNYOORQGBI-WBVHZDCISA-N 0 0 329.400 0.943 10 0 ECAERN C[C@H](C(=O)N(C)C)S(=O)(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000192007757 437659060 /nfs/dbraw/zinc/65/90/60/437659060.db2.gz AWXHSYLSYDERNV-TZMCWYRMSA-N 0 0 327.450 0.685 10 0 ECAERN COCCN1CCN(C(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)C[C@H]1C ZINC000371739603 437984660 /nfs/dbraw/zinc/98/46/60/437984660.db2.gz OATMWLDBDUKRTI-DVOMOZLQSA-N 0 0 341.477 0.620 10 0 ECAERN Cn1cc([C@]2(C)CN(C(=O)N[C@@H]3CCc4c[nH]nc4C3)CCO2)cn1 ZINC000372018270 438024546 /nfs/dbraw/zinc/02/45/46/438024546.db2.gz VFWWEIMOGKKMBW-PBHICJAKSA-N 0 0 344.419 0.958 10 0 ECAERN CC(C)Cc1ncc(NC(=O)N2CC[C@@]3(C2)NC(=O)N(C)C3=O)cn1 ZINC000554507647 438765285 /nfs/dbraw/zinc/76/52/85/438765285.db2.gz QEDCAWDMLKITGE-INIZCTEOSA-N 0 0 346.391 0.833 10 0 ECAERN O=C(Cn1ccccc1=O)N1CC[C@H](Nc2ccc3nccn3n2)C1 ZINC000580107583 439065271 /nfs/dbraw/zinc/06/52/71/439065271.db2.gz JBZCIDGBVPYCIB-ZDUSSCGKSA-N 0 0 338.371 0.604 10 0 ECAERN CC[C@H](C)[C@H](CO)NC(=O)COc1ccc(-c2nnn(C)n2)cc1 ZINC000606440305 439410429 /nfs/dbraw/zinc/41/04/29/439410429.db2.gz BEJNUVXZEWZUHK-FZMZJTMJSA-N 0 0 333.392 0.779 10 0 ECAERN Cc1nn(CC(C)C)c(C)c1CC(=O)N1CC[C@@](O)(c2cn[nH]n2)C1 ZINC000583618300 439489648 /nfs/dbraw/zinc/48/96/48/439489648.db2.gz LGWLTXCZGQEILD-KRWDZBQOSA-N 0 0 346.435 0.937 10 0 ECAERN COC(CO[C@@H]1O[C@H](COC(C)C)[C@@H](OC)[C@H](OC)[C@@H]1O)OC ZINC000584599478 439603841 /nfs/dbraw/zinc/60/38/41/439603841.db2.gz KVNKSAGBWGLWNP-COWZWYNKSA-N 0 0 338.397 0.163 10 0 ECAERN COc1cc2c(ccnc2OC[C@]2(C)COCC(=O)N2)cc1C(N)=O ZINC000584639770 439604816 /nfs/dbraw/zinc/60/48/16/439604816.db2.gz NAFLRJHAJRSWGI-KRWDZBQOSA-N 0 0 345.355 0.626 10 0 ECAERN COc1cc2c(ccnc2OC[C@@]2(C)COCC(=O)N2)cc1C(N)=O ZINC000584639771 439605707 /nfs/dbraw/zinc/60/57/07/439605707.db2.gz NAFLRJHAJRSWGI-QGZVFWFLSA-N 0 0 345.355 0.626 10 0 ECAERN CC(=O)c1ccc(-c2cnc(N)c(C(=O)NC[C@@H](O)CO)n2)cc1 ZINC000584662258 439607119 /nfs/dbraw/zinc/60/71/19/439607119.db2.gz VXZSQYPNLGRIEZ-GFCCVEGCSA-N 0 0 330.344 0.011 10 0 ECAERN CN(C[C@H]1CN(C)CCO1)c1ncc(I)cn1 ZINC000613274199 439754203 /nfs/dbraw/zinc/75/42/03/439754203.db2.gz NISHIAAECFUCKU-SNVBAGLBSA-N 0 0 348.188 0.848 10 0 ECAERN CCN1C(=O)CC[C@H](C(=O)NCC(F)(F)CO)[C@H]1c1ccnn1C ZINC000613569675 439759034 /nfs/dbraw/zinc/75/90/34/439759034.db2.gz ARSMGZREMOKQMZ-GWCFXTLKSA-N 0 0 344.362 0.464 10 0 ECAERN CCN1CCO[C@@H](CNC(=O)c2cnc(C)cn2)[C@@H]1c1cnn(C)c1 ZINC000618143327 440056267 /nfs/dbraw/zinc/05/62/67/440056267.db2.gz LPUCFRGAUXIELH-HOTGVXAUSA-N 0 0 344.419 0.710 10 0 ECAERN Cn1cncc1CN1CC[C@@](C)(O)[C@H](n2cnc3c2ncnc3N)C1 ZINC000643275216 440116930 /nfs/dbraw/zinc/11/69/30/440116930.db2.gz GYMNHRIIAMBRNP-MLGOLLRUSA-N 0 0 342.407 0.340 10 0 ECAERN C[C@@H](OCCc1ccccc1)C(=O)N1C[C@@H](O)[C@H](n2ccnn2)C1 ZINC000630011138 440829439 /nfs/dbraw/zinc/82/94/39/440829439.db2.gz OPOOMBVVEJLQLZ-FVQBIDKESA-N 0 0 330.388 0.670 10 0 ECAERN CCN1CCO[C@H](CNC(=O)c2nn(C)cc2Br)C1 ZINC000645475952 440817310 /nfs/dbraw/zinc/81/73/10/440817310.db2.gz RUMKZVIKBZQMJZ-SECBINFHSA-N 0 0 331.214 0.633 10 0 ECAERN c1nnc2ccc(N3CCN(CCO[C@H]4CCCCO4)CC3)nn12 ZINC000181686978 320527299 /nfs/dbraw/zinc/52/72/99/320527299.db2.gz USAJZSBYINASOY-INIZCTEOSA-N 0 0 332.408 0.790 10 0 ECAERN CC(C)c1nc2c(n1C)CCN(C(=O)C(=O)Nc1ccnn1C)C2 ZINC000182791824 320531318 /nfs/dbraw/zinc/53/13/18/320531318.db2.gz KALJCZZSCKNNIJ-UHFFFAOYSA-N 0 0 330.392 0.800 10 0 ECAERN C[C@H](Sc1nncn1C)C(=O)N1CCN[C@H](c2cccnc2)C1 ZINC000328657804 320725487 /nfs/dbraw/zinc/72/54/87/320725487.db2.gz PVEKXRKACBOYDL-AAEUAGOBSA-N 0 0 332.433 0.864 10 0 ECAERN CCS(=O)(=O)N1CCN(C(=O)C[C@H]2CCCCC(=O)N2)CC1 ZINC000328670955 320726229 /nfs/dbraw/zinc/72/62/29/320726229.db2.gz NCFNIQRSCKZKQH-GFCCVEGCSA-N 0 0 331.438 0.770 10 0 ECAERN C[C@H]1OCC[C@H]1S(=O)(=O)N(C)C[C@@H]1C[C@H](F)CN1CC(N)=O ZINC000328816192 320734629 /nfs/dbraw/zinc/73/46/29/320734629.db2.gz CTGQOKXIUMFFBZ-NOOOWODRSA-N 0 0 337.417 0.373 10 0 ECAERN O=C(N1CCSCC1)N1CCC[C@](O)(C(=O)N2CCCC2)C1 ZINC000329041095 320749869 /nfs/dbraw/zinc/74/98/69/320749869.db2.gz DLOXAEWDLHMOMW-OAHLLOKOSA-N 0 0 327.450 0.605 10 0 ECAERN O=C(c1cccn2c(=O)[nH]nc12)N1CCC[C@@](O)(C(F)(F)F)C1 ZINC000329337030 320767154 /nfs/dbraw/zinc/76/71/54/320767154.db2.gz MGBHOMSFLKIDBS-LBPRGKRZSA-N 0 0 330.266 0.964 10 0 ECAERN CCn1cc([C@H]2CS(=O)(=O)CCN2Cc2cnc(C)cn2)cn1 ZINC000329428091 320771557 /nfs/dbraw/zinc/77/15/57/320771557.db2.gz JPPPLWLBYLCGRN-OAHLLOKOSA-N 0 0 335.433 0.973 10 0 ECAERN CN1CCO[C@@H]2CN(S(=O)(=O)c3cccc4ncccc43)C[C@H]21 ZINC000329895943 320793958 /nfs/dbraw/zinc/79/39/58/320793958.db2.gz CFUOQRWEMJMJRG-HUUCEWRRSA-N 0 0 333.413 0.938 10 0 ECAERN COCCN1CCCN(C(=O)c2ncoc2[C@H]2CCCO2)CC1=O ZINC000329934839 320796569 /nfs/dbraw/zinc/79/65/69/320796569.db2.gz CEHLDIKPXUPWMU-GFCCVEGCSA-N 0 0 337.376 0.847 10 0 ECAERN C[C@@H]1CN(C(=O)Cn2ncc(=O)c3ccccc32)CCS(=O)(=O)C1 ZINC000330324419 320817096 /nfs/dbraw/zinc/81/70/96/320817096.db2.gz ILEWCCXJNYMBEC-GFCCVEGCSA-N 0 0 349.412 0.290 10 0 ECAERN C[C@H]1CN(C(=O)C(=O)NCc2ccc(F)cc2)C[C@H]1N1CCOCC1 ZINC000173965785 533814559 /nfs/dbraw/zinc/81/45/59/533814559.db2.gz ZEWSVCHBDREZEE-XJKSGUPXSA-N 0 0 349.406 0.621 10 0 ECAERN Cc1cc(N2CCC[C@H](NC(=O)NCC(F)(F)CO)C2=O)n(C)n1 ZINC000185014654 533895893 /nfs/dbraw/zinc/89/58/93/533895893.db2.gz PJETXJRBMMIWEZ-JTQLQIEISA-N 0 0 345.350 0.151 10 0 ECAERN Cc1nc(C[C@@H]2CCCN(C(=O)NCC(=O)NCC3CC3)C2)no1 ZINC000183791252 534406723 /nfs/dbraw/zinc/40/67/23/534406723.db2.gz HKGCXMIERBQBQB-ZDUSSCGKSA-N 0 0 335.408 0.868 10 0 ECAERN O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)N[C@@H]1CCCC[C@@H]1CO ZINC000151142279 534498572 /nfs/dbraw/zinc/49/85/72/534498572.db2.gz IXLUHZYQVQWFJK-TZMCWYRMSA-N 0 0 345.399 0.747 10 0 ECAERN Cn1cc(C(=O)C(=O)N2CCN(C[C@@H](O)c3ccccc3)CC2)cn1 ZINC000171558849 534728187 /nfs/dbraw/zinc/72/81/87/534728187.db2.gz OXLICBZGEUDZOB-MRXNPFEDSA-N 0 0 342.399 0.481 10 0 ECAERN O=C1N[C@@H](c2cn(-c3ccc(F)c(Cl)c3)nn2)N2CCOC[C@H]12 ZINC000180936315 534794328 /nfs/dbraw/zinc/79/43/28/534794328.db2.gz WSRLSUYHIQTCCR-CHWSQXEVSA-N 0 0 337.742 0.889 10 0 ECAERN CC(=O)N1CCN(c2cccc(NC(=O)C(=O)N[C@H]3C[C@H]3C)c2)CC1 ZINC000187383598 526634587 /nfs/dbraw/zinc/63/45/87/526634587.db2.gz AOJHNZGVPLFVQD-WBMJQRKESA-N 0 0 344.415 0.818 10 0 ECAERN CC(=O)NC1CN(C(=O)C(=O)Nc2ccc(-c3ncco3)cc2)C1 ZINC000191346236 526705508 /nfs/dbraw/zinc/70/55/08/526705508.db2.gz RNECXZFVXRMQCB-UHFFFAOYSA-N 0 0 328.328 0.627 10 0 ECAERN CC(C)Cc1nc(C(=O)NC[C@@H](O)CN2CCOCC2)cs1 ZINC000132404737 528666004 /nfs/dbraw/zinc/66/60/04/528666004.db2.gz OKSVINYXRXVWHK-GFCCVEGCSA-N 0 0 327.450 0.765 10 0 ECAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N(C)CCCn1ccnc1 ZINC000154753454 528807460 /nfs/dbraw/zinc/80/74/60/528807460.db2.gz JSBXISWWEHBXKS-AWEZNQCLSA-N 0 0 342.465 0.936 10 0 ECAERN Cc1ccc(S(N)(=O)=O)cc1C(=O)N[C@H]1CCCC[C@H]1CO ZINC000179252124 545880857 /nfs/dbraw/zinc/88/08/57/545880857.db2.gz ZOFLLPOQGBCQIY-FZMZJTMJSA-N 0 0 326.418 0.923 10 0 ECAERN C[C@H](CNC(=O)CSc1nnc2ccccn21)N1CCOCC1 ZINC000183079688 545891406 /nfs/dbraw/zinc/89/14/06/545891406.db2.gz JDCJNYAZQLZECO-GFCCVEGCSA-N 0 0 335.433 0.658 10 0 ECAERN NS(=O)(=O)c1ccc(CNC(=O)[C@@H]2CCc3nc[nH]c3C2)cc1 ZINC000220548650 545922063 /nfs/dbraw/zinc/92/20/63/545922063.db2.gz JXBQMWCKYCCFGJ-LLVKDONJSA-N 0 0 334.401 0.478 10 0 ECAERN CCCc1cc(N2C[C@@H](O)[C@H](Oc3cnn(C)c3)C2)n2ncnc2n1 ZINC000624422282 546923739 /nfs/dbraw/zinc/92/37/39/546923739.db2.gz MQGOIJUNYLXEJP-ZIAGYGMSSA-N 0 0 343.391 0.439 10 0 ECAERN O=C(c1c(Cl)nc2ccccn21)N1CC[C@](O)(Cn2ccnn2)C1 ZINC000794485355 578589966 /nfs/dbraw/zinc/58/99/66/578589966.db2.gz MLZFNIUWEFQDAR-OAHLLOKOSA-N 0 0 346.778 0.856 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)c2cc([C@@H]3CCCN3C)[nH]n2)CC1 ZINC000896210898 586227911 /nfs/dbraw/zinc/22/79/11/586227911.db2.gz OXLNSIVRGZNMQI-CJNGLKHVSA-N 0 0 335.452 0.705 10 0 ECAERN CC(C)Cc1noc(CN2CCC[C@@](O)(Cc3nncn3C)C2)n1 ZINC000888076771 586245784 /nfs/dbraw/zinc/24/57/84/586245784.db2.gz BEEPOGFXFQZMGV-MRXNPFEDSA-N 0 0 334.424 0.966 10 0 ECAERN COC1(c2ccccc2)CN(C(=O)c2cn([C@@H]3COC[C@H]3O)nn2)C1 ZINC000888093717 586348394 /nfs/dbraw/zinc/34/83/94/586348394.db2.gz PQYBLNXQHSGXEJ-HUUCEWRRSA-N 0 0 344.371 0.208 10 0 ECAERN Cc1noc([C@H]2COCCN2C2CN(C(=O)c3ccncc3F)C2)n1 ZINC000888094841 586348782 /nfs/dbraw/zinc/34/87/82/586348782.db2.gz DWSCQMZSXCUBOO-CQSZACIVSA-N 0 0 347.350 0.810 10 0 ECAERN Cn1nc(C[C@H]2CCCC[C@H]2NS(=O)(=O)C2CC2)n(C)c1=O ZINC000888099289 586350472 /nfs/dbraw/zinc/35/04/72/586350472.db2.gz VKJNZELOHQVMGN-ZYHUDNBSSA-N 0 0 328.438 0.302 10 0 ECAERN CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)C1CN([C@H]2CCOC2)C1 ZINC000897835876 586375229 /nfs/dbraw/zinc/37/52/29/586375229.db2.gz KKDXPHYCLMHWFI-BFHYXJOUSA-N 0 0 330.450 0.179 10 0 ECAERN Cc1noc([C@]2(O)CCN([C@@H]3CCC4(C[C@H]3F)OCCO4)C2)n1 ZINC000894488612 586396489 /nfs/dbraw/zinc/39/64/89/586396489.db2.gz DKMPOUYEQSUJGN-BZPMIXESSA-N 0 0 327.356 0.905 10 0 ECAERN CN1CCO[C@H](C(=O)N[C@@H]2CCCc3c2cnn3C(C)(C)C)C1=O ZINC000900316541 586536409 /nfs/dbraw/zinc/53/64/09/586536409.db2.gz QCSZIASOUUNSMQ-TZMCWYRMSA-N 0 0 334.420 0.989 10 0 ECAERN CC1=C(C)C(=O)N(CCC(=O)N2CCC[C@H]2Cn2cccn2)C1=O ZINC000900596615 586645239 /nfs/dbraw/zinc/64/52/39/586645239.db2.gz JXOXMRRSBWCARZ-AWEZNQCLSA-N 0 0 330.388 0.969 10 0 ECAERN COc1cc(CCNC(=O)[C@H]2Cn3c(C)nnc3CN2)ccc1C ZINC000818121910 587404724 /nfs/dbraw/zinc/40/47/24/587404724.db2.gz KOVMOKJOOVPRDQ-CQSZACIVSA-N 0 0 329.404 0.734 10 0 ECAERN CO[C@@H]1CN(Cc2cnn(-c3ccccc3)n2)C[C@H]1c1c[nH]nn1 ZINC000818195607 587412275 /nfs/dbraw/zinc/41/22/75/587412275.db2.gz ZEQHQRDJCARIRJ-GOEBONIOSA-N 0 0 325.376 1.000 10 0 ECAERN Cc1nnc2n1C[C@@H](C(N)=O)N(C(=O)CCc1ccc(F)cc1)C2 ZINC000818354317 587425800 /nfs/dbraw/zinc/42/58/00/587425800.db2.gz LYHZXQZLFDOUQV-ZDUSSCGKSA-N 0 0 331.351 0.555 10 0 ECAERN CCc1noc([C@@H](C)N2CCN(Cn3cc(C(=O)OC)nn3)CC2)n1 ZINC000112070944 589576678 /nfs/dbraw/zinc/57/66/78/589576678.db2.gz YYUVRNVRNGEMTH-LLVKDONJSA-N 0 0 349.395 0.346 10 0 ECAERN Cn1cc(O[C@@H]2COC[C@@H]2NC(=O)Cc2ccc3n[nH]cc3c2)cn1 ZINC000862921991 589974008 /nfs/dbraw/zinc/97/40/08/589974008.db2.gz BRZAGSXFMBXQHF-JKSUJKDBSA-N 0 0 341.371 0.802 10 0 ECAERN CC(C)(C)[S@@](=O)CCNC(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000120261490 590111486 /nfs/dbraw/zinc/11/14/86/590111486.db2.gz QQTJZUGMDSNWQK-ZAMGYDSWSA-N 0 0 342.465 0.841 10 0 ECAERN CC(C)N(C)S(=O)(=O)N(C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000128402004 590391545 /nfs/dbraw/zinc/39/15/45/590391545.db2.gz UZHSCNDWGDGQOF-CYBMUJFWSA-N 0 0 327.454 0.962 10 0 ECAERN C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCc1ccc[nH]1 ZINC000126173841 590417557 /nfs/dbraw/zinc/41/75/57/590417557.db2.gz OPFFMWUUAFQVMT-SNVBAGLBSA-N 0 0 332.385 0.758 10 0 ECAERN CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NS(=O)(=O)CCn1cccn1 ZINC000885357142 590719290 /nfs/dbraw/zinc/71/92/90/590719290.db2.gz GIOLHIXUFLJWJU-DGCLKSJQSA-N 0 0 328.438 0.496 10 0 ECAERN CO[C@@H]1CCCCN(CC(=O)N2CCN(c3cccnn3)CC2)C1=O ZINC000886074625 590790570 /nfs/dbraw/zinc/79/05/70/590790570.db2.gz IABGGCLHSHRMNG-CQSZACIVSA-N 0 0 347.419 0.153 10 0 ECAERN CO[C@@H]1CN(c2ncncc2Br)C[C@H]1c1cn(C)nn1 ZINC000886079972 590791567 /nfs/dbraw/zinc/79/15/67/590791567.db2.gz HBDIGOSVBGUGTK-GZMMTYOYSA-N 0 0 339.197 0.986 10 0 ECAERN COc1ncc(CNC(=O)CN2CCCC[C@H](O)C2=O)cc1Cl ZINC000886078456 590791728 /nfs/dbraw/zinc/79/17/28/590791728.db2.gz SPCFGYNWHHOPFO-LBPRGKRZSA-N 0 0 341.795 0.733 10 0 ECAERN NC(=O)[C@]1(N2CCN(C(=O)c3ccncc3Cl)CC2)CCOC1 ZINC000886096621 590795643 /nfs/dbraw/zinc/79/56/43/590795643.db2.gz MOGPXIYYTYDSEI-HNNXBMFYSA-N 0 0 338.795 0.137 10 0 ECAERN COc1ncccc1C(=O)N1CCC[C@@](O)(Cc2nncn2C)C1 ZINC000886095513 590795707 /nfs/dbraw/zinc/79/57/07/590795707.db2.gz YNSWEIBEOZZZGR-MRXNPFEDSA-N 0 0 331.376 0.429 10 0 ECAERN Cc1nnc2n1C[C@H](C(=O)N1CCN(c3ccccc3F)CC1)NC2 ZINC000844165647 591189067 /nfs/dbraw/zinc/18/90/67/591189067.db2.gz NWSMMTUPIOZSDH-CQSZACIVSA-N 0 0 344.394 0.546 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)N[C@@H](C)c1nnnn1C1CC1)CC2 ZINC000188986769 611457104 /nfs/dbraw/zinc/45/71/04/611457104.db2.gz BCZRZDJUCWTWFJ-UWVGGRQHSA-N 0 0 345.411 0.537 10 0 ECAERN CCCn1cc(NC(=O)C(=O)N2CCN(C[C@H](O)CC)CC2)cn1 ZINC000189467588 611629440 /nfs/dbraw/zinc/62/94/40/611629440.db2.gz BBWJNDFIZACDFS-CQSZACIVSA-N 0 0 337.424 0.147 10 0 ECAERN COCCN1CCN(C(=O)[C@H]2CC(=O)N(CCC(C)C)C2)CC1 ZINC000034918603 608778772 /nfs/dbraw/zinc/77/87/72/608778772.db2.gz FZMFYZPLLTVSID-HNNXBMFYSA-N 0 0 325.453 0.672 10 0 ECAERN O=C1NCCC[C@H]1NS(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000050397675 608845116 /nfs/dbraw/zinc/84/51/16/608845116.db2.gz ZBIZFQVHNZEZMX-MRVPVSSYSA-N 0 0 328.781 0.545 10 0 ECAERN CCOCCN1CCN(C(=O)C(=O)Nc2ccc(F)nc2)C[C@H]1C ZINC000160361874 608924081 /nfs/dbraw/zinc/92/40/81/608924081.db2.gz BOOCFFRFMJGJBW-GFCCVEGCSA-N 0 0 338.383 0.728 10 0 ECAERN CN(C)C(=O)[C@H]1CCCN1C[C@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000076574730 611676973 /nfs/dbraw/zinc/67/69/73/611676973.db2.gz DHMYQVJDZYZFKH-CABCVRRESA-N 0 0 340.445 0.676 10 0 ECAERN O=C(N[C@@H]1C[C@H](O)[C@H]1n1cccn1)[C@H]1COCCN1C1CCCC1 ZINC000909180196 609681178 /nfs/dbraw/zinc/68/11/78/609681178.db2.gz JVTYDTQXKJBKKK-WCVJEAGWSA-N 0 0 334.420 0.317 10 0 ECAERN CNS(=O)(=O)c1ccc2oc(C(=O)N3CCC(O)CC3)cc2c1 ZINC000222811566 609704686 /nfs/dbraw/zinc/70/46/86/609704686.db2.gz JQYAGEJOMASTLO-UHFFFAOYSA-N 0 0 338.385 0.938 10 0 ECAERN C[C@@H](Oc1ccc(-n2cnnn2)cc1)C(=O)NCC1(CO)CCC1 ZINC000223248888 609708818 /nfs/dbraw/zinc/70/88/18/609708818.db2.gz UCRBYPMGOXLCAP-GFCCVEGCSA-N 0 0 331.376 0.708 10 0 ECAERN CC(C)[C@@H]1Nc2ncnc(N(C)[C@@H]3CCS(=O)(=O)C3)c2NC1=O ZINC000223987017 609716349 /nfs/dbraw/zinc/71/63/49/609716349.db2.gz WPCYAUNFEMIQBS-ZJUUUORDSA-N 0 0 339.421 0.489 10 0 ECAERN Cc1nc2c(c(N(C)[C@H]3CCS(=O)(=O)C3)n1)NC(=O)[C@@H](C)N2 ZINC000224019887 609716493 /nfs/dbraw/zinc/71/64/93/609716493.db2.gz WEQREQYGTGGRLI-APPZFPTMSA-N 0 0 325.394 0.161 10 0 ECAERN Cn1cc([C@H]2[C@H](C(=O)OCCc3cn[nH]c3)CCC(=O)N2C)cn1 ZINC000175688938 609725104 /nfs/dbraw/zinc/72/51/04/609725104.db2.gz YBPORRNBRRFAID-HIFRSBDPSA-N 0 0 331.376 0.839 10 0 ECAERN COc1ccc(C2(C(=O)N3CCc4nn(C)c(=O)n4CC3)CC2)cc1 ZINC000169783110 609746871 /nfs/dbraw/zinc/74/68/71/609746871.db2.gz CWDVUPKYVQPCAK-UHFFFAOYSA-N 0 0 342.399 0.707 10 0 ECAERN C[C@@H](O)C1CCN(CN2C(=O)C[C@@H](Cc3cnn(C)c3)C2=O)CC1 ZINC000173896628 609785124 /nfs/dbraw/zinc/78/51/24/609785124.db2.gz IURIQIQUZJPQRJ-IUODEOHRSA-N 0 0 334.420 0.388 10 0 ECAERN O=C(COc1ccc(N2CCCC2=O)cc1)N1CCOC[C@@H]1CO ZINC000912428751 609955210 /nfs/dbraw/zinc/95/52/10/609955210.db2.gz WOYICMBFAIJDRL-AWEZNQCLSA-N 0 0 334.372 0.412 10 0 ECAERN CCc1ccc(C(=O)N2CCOC[C@H]2CO)cc1S(C)(=O)=O ZINC000912416368 609956657 /nfs/dbraw/zinc/95/66/57/609956657.db2.gz ACQBDFBTXOYEFK-CYBMUJFWSA-N 0 0 327.402 0.486 10 0 ECAERN NS(=O)(=O)N1CCC[C@H](C(=O)N2CCC[C@@H]2C(F)(F)F)C1 ZINC000913018752 610030887 /nfs/dbraw/zinc/03/08/87/610030887.db2.gz ORMNFBGVIRZZDK-DTWKUNHWSA-N 0 0 329.344 0.455 10 0 ECAERN CC(=O)NC1CN(C(=O)c2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000191493945 612041038 /nfs/dbraw/zinc/04/10/38/612041038.db2.gz JXNZEJMQRDWABL-UHFFFAOYSA-N 0 0 332.328 0.643 10 0 ECAERN CC(C)(C)[C@]1(C)NC(=O)N(CN2CCO[C@H](Cn3cccn3)C2)C1=O ZINC000193313543 612216323 /nfs/dbraw/zinc/21/63/23/612216323.db2.gz VCBOXADYLVWZIC-SUMWQHHRSA-N 0 0 349.435 0.898 10 0 ECAERN COc1ccc(N2C[C@H](C(=O)N[C@@H]3C[C@H](O)[C@H](CO)C3)CC2=O)cc1 ZINC000248115495 612659559 /nfs/dbraw/zinc/65/95/59/612659559.db2.gz AZFMDCLYRGULIM-DVZHBHJUSA-N 0 0 348.399 0.296 10 0 ECAERN CCc1nc(-c2ccc(C(=O)N3CC(NC(=O)COC)C3)cc2)n[nH]1 ZINC000186318326 529702632 /nfs/dbraw/zinc/70/26/32/529702632.db2.gz TZJYFFFHLSUUNX-UHFFFAOYSA-N 0 0 343.387 0.621 10 0 ECAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)NCCNC(=O)c1ccn[nH]1 ZINC000181447601 529749825 /nfs/dbraw/zinc/74/98/25/529749825.db2.gz GQWZJTORBOGRPH-JTQLQIEISA-N 0 0 346.395 0.128 10 0 ECAERN C[C@@H]1CCC[N@H+](CCC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)[O-])C1 ZINC000049478390 214011427 /nfs/dbraw/zinc/01/14/27/214011427.db2.gz BXWMRGRLEOLMBT-NEPJUHHUSA-N 0 0 334.438 0.113 10 0 ECAERN Cc1ccc(CNS(=O)(=O)c2c(C)n(C)c(=O)n(C)c2=O)cc1 ZINC000004337679 210175124 /nfs/dbraw/zinc/17/51/24/210175124.db2.gz DLXAFKJSOPPTLX-UHFFFAOYSA-N 0 0 337.401 0.179 10 0 ECAERN O=S(=O)(Cc1nc(-c2ccc(Cl)cc2)no1)C[C@H](O)CO ZINC000177670402 231953449 /nfs/dbraw/zinc/95/34/49/231953449.db2.gz MLWMUYROVWFMHX-SNVBAGLBSA-N 0 0 332.765 0.658 10 0 ECAERN COc1ccccc1C(=O)Nc1cnn(C)c(=O)c1N1CCOCC1 ZINC000065307204 214868044 /nfs/dbraw/zinc/86/80/44/214868044.db2.gz HFMRXARIKUMBSO-UHFFFAOYSA-N 0 0 344.371 0.878 10 0 ECAERN CN1C(=O)C[C@@H](C(=O)N2CCN(CCO)CC2)[C@@H]1c1ccc(F)cc1 ZINC000132197517 530044171 /nfs/dbraw/zinc/04/41/71/530044171.db2.gz AXBAZLVBJHRQCR-WBVHZDCISA-N 0 0 349.406 0.482 10 0 ECAERN Nc1c(C(=O)CN2CCO[C@H]3CCCC[C@H]32)c(=O)[nH]c(=O)n1C1CC1 ZINC000103470055 219304626 /nfs/dbraw/zinc/30/46/26/219304626.db2.gz NTLKIDXJSBGCAF-YPMHNXCESA-N 0 0 348.403 0.280 10 0 ECAERN Cc1cc(-n2c(C)cc(C(=O)CN3CCOC[C@H]3C(N)=O)c2C)no1 ZINC000179745184 233393682 /nfs/dbraw/zinc/39/36/82/233393682.db2.gz FENHURSXXWNDSF-AWEZNQCLSA-N 0 0 346.387 0.759 10 0 ECAERN COCC(=O)NC1CN(C(=O)NCc2cc(-c3ccccc3)on2)C1 ZINC000185339798 235644190 /nfs/dbraw/zinc/64/41/90/235644190.db2.gz VUXZRURBZXDTRQ-UHFFFAOYSA-N 0 0 344.371 0.998 10 0 ECAERN Cc1cc(S(=O)(=O)N2CC(NC(=O)C3CC3)C2)cnc1Cl ZINC000187919221 236340184 /nfs/dbraw/zinc/34/01/84/236340184.db2.gz TXTQDTIFQQUJIP-UHFFFAOYSA-N 0 0 329.809 0.943 10 0 ECAERN Cn1ccc2ccc(NC(=O)C(=O)N3CC(NC(=O)C4CC4)C3)cc21 ZINC000187981563 236368943 /nfs/dbraw/zinc/36/89/43/236368943.db2.gz QDFCWRHOUZEAAJ-UHFFFAOYSA-N 0 0 340.383 0.854 10 0 ECAERN O=C(Nc1ccc(Cl)nc1)C(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188022175 236388769 /nfs/dbraw/zinc/38/87/69/236388769.db2.gz QQSSKJNUPJQDGG-UHFFFAOYSA-N 0 0 336.779 0.801 10 0 ECAERN CO[C@@H](C)[C@H](C)NC(=O)N[C@@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000188808847 236674423 /nfs/dbraw/zinc/67/44/23/236674423.db2.gz AMAKOAZHNJTREL-RWMBFGLXSA-N 0 0 337.424 0.947 10 0 ECAERN O=C(CCCc1ccc2[nH]c(=O)[nH]c2c1)N1CC(NC(=O)C2CC2)C1 ZINC000189462379 236922898 /nfs/dbraw/zinc/92/28/98/236922898.db2.gz DDHHTQJMJZBKIO-UHFFFAOYSA-N 0 0 342.399 0.916 10 0 ECAERN Cn1cc([C@@H]2CSCCN2C(=O)NCC(=O)NCC2CC2)cn1 ZINC000189802489 237267652 /nfs/dbraw/zinc/26/76/52/237267652.db2.gz QZNHPUXEKSTYLD-ZDUSSCGKSA-N 0 0 337.449 0.746 10 0 ECAERN Cc1cccc(C[C@@H](CO)NC(=O)N[C@@H]2CCc3ncnn3C2)c1 ZINC000190163521 238261522 /nfs/dbraw/zinc/26/15/22/238261522.db2.gz DPUGRABZPZSMME-CABCVRRESA-N 0 0 329.404 0.804 10 0 ECAERN Cc1nnc(CN(C)CC(=O)N[C@H](C)C(=O)N2CCCCC2)n1C ZINC000132159563 223306370 /nfs/dbraw/zinc/30/63/70/223306370.db2.gz ISENOXDFABXAKY-GFCCVEGCSA-N 0 0 336.440 0.073 10 0 ECAERN O=C(c1c[nH]c(=S)[nH]1)N1CCN(c2ccc3nncn3n2)CC1 ZINC000193090697 240013703 /nfs/dbraw/zinc/01/37/03/240013703.db2.gz JFABYGIWLNKZMU-UHFFFAOYSA-N 0 0 330.377 0.099 10 0 ECAERN Cc1cnn(C[C@H]2CN(C(=O)C(=O)Nc3ccc(F)cn3)CCO2)c1 ZINC000193233168 240070718 /nfs/dbraw/zinc/07/07/18/240070718.db2.gz BYIQJQYGLCEWEG-CYBMUJFWSA-N 0 0 347.350 0.592 10 0 ECAERN COCCN1CCN(C(=O)C(=O)Nc2cc(C)cc(C)n2)C[C@H]1C ZINC000193276986 240088865 /nfs/dbraw/zinc/08/88/65/240088865.db2.gz DKZGIMWQYQYIPO-CQSZACIVSA-N 0 0 334.420 0.816 10 0 ECAERN CC(C)[C@@H](NC(=O)c1cnn2ccncc12)C(=O)N1CCOCC1 ZINC000193477872 240178248 /nfs/dbraw/zinc/17/82/48/240178248.db2.gz JJUWGGISPGCASZ-CQSZACIVSA-N 0 0 331.376 0.343 10 0 ECAERN CC[C@H]1CN(C(=O)C(=O)Nc2ccc(F)cn2)CCN1C[C@@H](C)O ZINC000193471832 240178416 /nfs/dbraw/zinc/17/84/16/240178416.db2.gz KJKRIJKCBFEAOB-YPMHNXCESA-N 0 0 338.383 0.463 10 0 ECAERN Cc1cccc(NC(=O)C(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)n1 ZINC000193718100 240280655 /nfs/dbraw/zinc/28/06/55/240280655.db2.gz YESKHQBWIFUDHS-GXTWGEPZSA-N 0 0 332.404 0.508 10 0 ECAERN CCOCCO[C@H](C)C(=O)N1CCCN(Cc2noc(C)n2)CC1 ZINC000109923453 220003045 /nfs/dbraw/zinc/00/30/45/220003045.db2.gz VBXWOOWRYZFWGY-CYBMUJFWSA-N 0 0 340.424 0.854 10 0 ECAERN C[C@](O)(CNC(=O)N[C@H]1CCc2ncnn2C1)c1ccc(F)cc1 ZINC000134086649 223471149 /nfs/dbraw/zinc/47/11/49/223471149.db2.gz YSYBKMOXDGRYET-BBRMVZONSA-N 0 0 333.367 0.939 10 0 ECAERN NC(=O)NC(=O)CN1c2ccc(Br)cc2C(=O)C1=O ZINC000019966819 212091764 /nfs/dbraw/zinc/09/17/64/212091764.db2.gz ODTORRJIAWNJKY-UHFFFAOYSA-N 0 0 326.106 0.173 10 0 ECAERN O=C(NC[C@@H]1CCCC[C@@H]1O)C(=O)Nc1ccc(-n2ccnc2)nc1 ZINC000077938881 217003578 /nfs/dbraw/zinc/00/35/78/217003578.db2.gz SOBLCNOPELZQCL-JSGCOSHPSA-N 0 0 343.387 0.873 10 0 ECAERN Cc1ccc(OCC(=O)N2CCO[C@H](C[N@@H+](C)CC(=O)[O-])C2)cc1 ZINC000262989463 245287927 /nfs/dbraw/zinc/28/79/27/245287927.db2.gz VIPKTJVKIGLDHL-OAHLLOKOSA-N 0 0 336.388 0.618 10 0 ECAERN CC1(C)O[C@H]2[C@H](n3cnc4c3nc(Cl)nc4N)O[C@H](CO)[C@@H]2O1 ZINC000016997679 211945426 /nfs/dbraw/zinc/94/54/26/211945426.db2.gz AODJHWXFBKXJBT-GZCUOZMLSA-N 0 0 341.755 0.472 10 0 ECAERN COCCCS(=O)(=O)N1CCO[C@H](Cn2nc(C)cc2C)C1 ZINC000111345341 220142680 /nfs/dbraw/zinc/14/26/80/220142680.db2.gz VYAWKHONOQRTTM-AWEZNQCLSA-N 0 0 331.438 0.567 10 0 ECAERN CC(=O)NCCCNC(=O)N1CCO[C@H](Cn2nc(C)cc2C)C1 ZINC000111823168 220199248 /nfs/dbraw/zinc/19/92/48/220199248.db2.gz NRAWBIUVAARDCY-HNNXBMFYSA-N 0 0 337.424 0.437 10 0 ECAERN Cc1cnn(C[C@H]2CN(C(=O)NCCCn3cccn3)CCO2)c1 ZINC000112107974 220244820 /nfs/dbraw/zinc/24/48/20/220244820.db2.gz YLDAHDDKLMOKIA-OAHLLOKOSA-N 0 0 332.408 0.889 10 0 ECAERN CCc1noc([C@H](C)N2CCN(C(=O)NCC(=O)N(C)C)CC2)n1 ZINC000112131722 220250298 /nfs/dbraw/zinc/25/02/98/220250298.db2.gz XINUDFLFXFJJBC-NSHDSACASA-N 0 0 338.412 0.108 10 0 ECAERN Nc1ccc2ncn(CCc3ccc(S(N)(=O)=O)cc3)c(=O)c2c1 ZINC000011848682 211257879 /nfs/dbraw/zinc/25/78/79/211257879.db2.gz KEQRPBUIZMFAEQ-UHFFFAOYSA-N 0 0 344.396 0.869 10 0 ECAERN COc1cc(C(=O)N2CCOC[C@H]2C(N)=O)sc1Br ZINC000091783635 218065819 /nfs/dbraw/zinc/06/58/19/218065819.db2.gz LOBZZYGVKVOXLG-LURJTMIESA-N 0 0 349.206 0.846 10 0 ECAERN NC(=O)[C@@H]1COCCN1C(=O)Cc1ccc(OC(F)(F)F)cc1 ZINC000091783215 218066073 /nfs/dbraw/zinc/06/60/73/218066073.db2.gz OYTYYXLQDFYWND-NSHDSACASA-N 0 0 332.278 0.840 10 0 ECAERN NC(=O)[C@@H]1COCCN1CC(=O)Nc1ccc(N2CCCC2)cc1 ZINC000092228939 218127788 /nfs/dbraw/zinc/12/77/88/218127788.db2.gz UOHDPCZAQJFASB-HNNXBMFYSA-N 0 0 332.404 0.411 10 0 ECAERN COCc1nc(N2CCCC2)ncc1C(=O)NCCN1CCOCC1 ZINC000094992714 218271440 /nfs/dbraw/zinc/27/14/40/218271440.db2.gz VQVPYLQQVWLZAP-UHFFFAOYSA-N 0 0 349.435 0.285 10 0 ECAERN Cc1cc(C(=O)N[C@@H]2CCCn3ncnc32)cc(S(N)(=O)=O)c1C ZINC000175821225 291762665 /nfs/dbraw/zinc/76/26/65/291762665.db2.gz NSKQKOPWQUIFIO-GFCCVEGCSA-N 0 0 349.416 0.807 10 0 ECAERN C[C@@H]1COC[C@H](C)O[C@@H](C)COC[C@@H](C)OC(=O)COCC(=O)O1 ZINC000005573126 210491944 /nfs/dbraw/zinc/49/19/44/210491944.db2.gz JLSULYALYSWSED-IGQOVBAYSA-N 0 0 348.392 0.707 10 0 ECAERN C[C@H](NC(=O)Nc1ccccc1)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000112661405 220367731 /nfs/dbraw/zinc/36/77/31/220367731.db2.gz IHTKJZUUQQNDQN-AAEUAGOBSA-N 0 0 328.376 0.919 10 0 ECAERN O=C(CCNC(=O)N[C@@H]1CCc2ncnn2C1)NCc1ccccc1 ZINC000112747147 220395257 /nfs/dbraw/zinc/39/52/57/220395257.db2.gz XTFQXJWIHZBLGZ-CQSZACIVSA-N 0 0 342.403 0.599 10 0 ECAERN Cc1cc(C)cc(C(=O)NCC(=O)N[C@H]2CCc3ncnn3C2)c1 ZINC000112725345 220386643 /nfs/dbraw/zinc/38/66/43/220386643.db2.gz XEAAETNPNUGDIM-AWEZNQCLSA-N 0 0 327.388 0.756 10 0 ECAERN C[C@@H](NC(=O)C(=O)NCC(=O)N(C)C)c1cccc(-n2ccnc2)c1 ZINC000154145149 224210147 /nfs/dbraw/zinc/21/01/47/224210147.db2.gz RYWRHBURTKZOSF-GFCCVEGCSA-N 0 0 343.387 0.254 10 0 ECAERN COCCN1CCN(C(=O)c2ccccc2-n2cnnn2)C[C@H]1C ZINC000117286106 221043054 /nfs/dbraw/zinc/04/30/54/221043054.db2.gz QNNBPHKZIASOQI-CYBMUJFWSA-N 0 0 330.392 0.455 10 0 ECAERN Cc1ccc(NC(=O)C(=O)NC[C@H]2CN(C)CCO2)c2cccnc12 ZINC000118115192 221120151 /nfs/dbraw/zinc/12/01/51/221120151.db2.gz AELFPIDVYYJNRU-ZDUSSCGKSA-N 0 0 342.399 0.929 10 0 ECAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)C(=O)Nc3nocc3C)CCO2)n1 ZINC000119137602 221251834 /nfs/dbraw/zinc/25/18/34/221251834.db2.gz PIFVPABTBUMGAA-ZDUSSCGKSA-N 0 0 347.375 0.662 10 0 ECAERN CCn1cc(NC(=O)C(=O)N2CCC(c3cc[nH]n3)CC2)ccc1=O ZINC000119471014 221326989 /nfs/dbraw/zinc/32/69/89/221326989.db2.gz JDKKCAAKKZAKJL-UHFFFAOYSA-N 0 0 343.387 0.936 10 0 ECAERN Cc1nc(C(=O)N2C[C@@H]3OC[C@H](CNS(C)(=O)=O)[C@@H]3C2)cs1 ZINC000248061175 257667108 /nfs/dbraw/zinc/66/71/08/257667108.db2.gz VRIZMFLUARDVAO-NHCYSSNCSA-N 0 0 345.446 0.088 10 0 ECAERN CS(=O)(=O)N1C[C@@H]2OC[C@H](CCOCc3ccncc3)[C@@H]2C1 ZINC000247493670 257681978 /nfs/dbraw/zinc/68/19/78/257681978.db2.gz CJFJSZRYHFBVRR-KKUMJFAQSA-N 0 0 326.418 0.895 10 0 ECAERN CC(C)OC[C@@H](O)CN1CCC[C@@H]1c1nc(C(=O)NC2CC2)no1 ZINC000328621162 258036124 /nfs/dbraw/zinc/03/61/24/258036124.db2.gz AIUTWKOHYVPFGL-QWHCGFSZSA-N 0 0 338.408 0.885 10 0 ECAERN COC[C@@H](C)CNC(=O)N[C@@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000176405260 533342903 /nfs/dbraw/zinc/34/29/03/533342903.db2.gz ZTIAPZBMJSBULH-WCQYABFASA-N 0 0 337.424 0.806 10 0 ECAERN CCOCCN1CCN(CC(=O)NC(=O)NC(C)(C)C)C[C@H]1C ZINC000246309667 286088599 /nfs/dbraw/zinc/08/85/99/286088599.db2.gz AGSVNYMXWINQCK-CYBMUJFWSA-N 0 0 328.457 0.653 10 0 ECAERN C[C@@H](CO)[C@H](C)NC(=O)[C@H]1CCC[C@H]1C(=O)N[C@@H](C)[C@H](C)CO ZINC000156835308 296705952 /nfs/dbraw/zinc/70/59/52/296705952.db2.gz UMCBRTCWTJMQLR-JLZCTACVSA-N 0 0 328.453 0.669 10 0 ECAERN COc1ccccc1[C@@H](C)CC(=O)NC[C@H](O)CN1CCOCC1 ZINC000132960865 286508376 /nfs/dbraw/zinc/50/83/76/286508376.db2.gz FEWXWUZLWYOIPK-GJZGRUSLSA-N 0 0 336.432 0.998 10 0 ECAERN COC(=O)[C@@H]1Cc2ccccc2CN1C[C@@H](O)CN1CCCC1=O ZINC000246159190 296731016 /nfs/dbraw/zinc/73/10/16/296731016.db2.gz CFHCCLVWIAICSV-HOTGVXAUSA-N 0 0 332.400 0.570 10 0 ECAERN O=C(N[C@@H]1CCN(c2ncccc2F)C1)N[C@@H]1CCc2ncnn2C1 ZINC000129380217 164686681 /nfs/dbraw/zinc/68/66/81/164686681.db2.gz QHQRILMXCDFUAN-VXGBXAGGSA-N 0 0 345.382 0.705 10 0 ECAERN O=C(Cn1cc(-c2ccccc2)nn1)N1CC[C@@H](N2CCOCC2)C1 ZINC000135534387 164714146 /nfs/dbraw/zinc/71/41/46/164714146.db2.gz SDATVQJBYNECRD-MRXNPFEDSA-N 0 0 341.415 0.878 10 0 ECAERN CCc1nnc([C@@H]2CN(C(=O)[C@H](C)NC(=O)c3ccco3)CCO2)[nH]1 ZINC000173558992 164857539 /nfs/dbraw/zinc/85/75/39/164857539.db2.gz YXMDBTVDAOTHJP-JQWIXIFHSA-N 0 0 347.375 0.679 10 0 ECAERN CCCCOCCNC(=O)CN1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000173675628 164858648 /nfs/dbraw/zinc/85/86/48/164858648.db2.gz DXRVZXSLQMLIME-CYBMUJFWSA-N 0 0 325.413 0.419 10 0 ECAERN C[C@H]1C(=O)NCCCN1C(=O)c1cc(I)c[nH]1 ZINC000188887555 165003311 /nfs/dbraw/zinc/00/33/11/165003311.db2.gz OWSXLYVGQMZVGR-ZETCQYMHSA-N 0 0 347.156 0.970 10 0 ECAERN C[C@H](NC(=O)N1CC(NC(=O)C2CCC2)C1)c1nnc2n1CCCC2 ZINC000188899210 165003491 /nfs/dbraw/zinc/00/34/91/165003491.db2.gz PZMXWVOOGJTFLI-NSHDSACASA-N 0 0 346.435 0.986 10 0 ECAERN COc1cc(Cl)ccc1CNC(=O)[C@H]1C[C@@H](O)CN1C(C)=O ZINC000188955564 165004529 /nfs/dbraw/zinc/00/45/29/165004529.db2.gz VBZOYYMAJUMCLT-CHWSQXEVSA-N 0 0 326.780 0.947 10 0 ECAERN C[C@@H](c1cnn(C)c1)N(C)C(=O)c1cc(N2CCNC(=O)C2)ccn1 ZINC000189229941 165006810 /nfs/dbraw/zinc/00/68/10/165006810.db2.gz PXQIBWVOVZFQEG-LBPRGKRZSA-N 0 0 342.403 0.585 10 0 ECAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NC[C@@](C)(O)c1ccccc1Cl ZINC000189923627 165017044 /nfs/dbraw/zinc/01/70/44/165017044.db2.gz NWLVLGDBFMLFMC-DJSGYFEHSA-N 0 0 340.807 0.645 10 0 ECAERN CC(=O)NC1CN(C(=O)N[C@H]2CCN(c3ncccc3Cl)C2)C1 ZINC000190247550 165019360 /nfs/dbraw/zinc/01/93/60/165019360.db2.gz RIECQXKIXGKVSC-NSHDSACASA-N 0 0 337.811 0.844 10 0 ECAERN C[C@@H](C1CC1)n1cc(NC(=O)C(=O)N2CCCNC(=O)[C@H]2C)cn1 ZINC000190664556 165024215 /nfs/dbraw/zinc/02/42/15/165024215.db2.gz SSGDKXWDULPZNT-WDEREUQCSA-N 0 0 333.392 0.530 10 0 ECAERN C[C@H]1C(=O)NCCCN1C(=O)C(=O)Nc1cc(C2CCCC2)nn1C ZINC000190680841 165024746 /nfs/dbraw/zinc/02/47/46/165024746.db2.gz VKSQKDHGYYCICN-NSHDSACASA-N 0 0 347.419 0.753 10 0 ECAERN COc1ccc(CNC(=O)[C@H]2C[C@@H](O)CN2C(C)=O)cc1Cl ZINC000193578995 165055747 /nfs/dbraw/zinc/05/57/47/165055747.db2.gz WWTFYZWXKDRALM-DGCLKSJQSA-N 0 0 326.780 0.947 10 0 ECAERN COc1ccc(C[C@@H](C)CNC(=O)[C@H]2C[C@@H](O)CN2C(C)=O)cc1 ZINC000193696345 165057033 /nfs/dbraw/zinc/05/70/33/165057033.db2.gz QXZGSRDMOWVPRW-SRCQZFHVSA-N 0 0 334.416 0.972 10 0 ECAERN CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(CS(N)(=O)=O)cc2)C1 ZINC000195447467 165081659 /nfs/dbraw/zinc/08/16/59/165081659.db2.gz LABIDPRCQRXTKN-AWEZNQCLSA-N 0 0 325.434 0.689 10 0 ECAERN O=C(CN1CCO[C@@H](c2nccs2)C1)NCC(=O)N1CCCC1 ZINC000195521660 165086750 /nfs/dbraw/zinc/08/67/50/165086750.db2.gz QZTACXWCYWNUBC-GFCCVEGCSA-N 0 0 338.433 0.255 10 0 ECAERN NC(=O)[C@@H]1COCCN1C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000246134878 165124473 /nfs/dbraw/zinc/12/44/73/165124473.db2.gz KZVJCPMIMRSZQT-PWSUYJOCSA-N 0 0 349.214 0.919 10 0 ECAERN CC[C@H](C)[C@H](O)CNC(=O)N[C@H]1CCCn2nc(COC)nc21 ZINC000246290478 165128414 /nfs/dbraw/zinc/12/84/14/165128414.db2.gz AUTZBVLMQZNCCN-SDDRHHMPSA-N 0 0 325.413 0.966 10 0 ECAERN CN1CCO[C@@H](CN[C@@H](C(N)=O)c2ccc(Br)cc2)C1 ZINC000246529030 165138506 /nfs/dbraw/zinc/13/85/06/165138506.db2.gz GJVBUFXHRICKMV-QWHCGFSZSA-N 0 0 342.237 0.896 10 0 ECAERN CC[C@H](C)NC(=O)CN1CCN(C(=O)N[C@H](C)[C@H]2CCCO2)CC1 ZINC000249528682 165199323 /nfs/dbraw/zinc/19/93/23/165199323.db2.gz WICMHOVSPNELFY-RRFJBIMHSA-N 0 0 340.468 0.796 10 0 ECAERN C[C@H](CS(C)(=O)=O)C(=O)N1C[C@H](CO)[C@@H](c2ccsc2)C1 ZINC000249481416 165199628 /nfs/dbraw/zinc/19/96/28/165199628.db2.gz BLWZOECNSANJHK-RAIGVLPGSA-N 0 0 331.459 0.963 10 0 ECAERN O=C1NCCN1[C@H]1CCCN(c2cc(N3CCC[C@H]3CO)ncn2)C1 ZINC000261482252 165212551 /nfs/dbraw/zinc/21/25/51/165212551.db2.gz NORXYQXSLRAEIQ-KBPBESRZSA-N 0 0 346.435 0.432 10 0 ECAERN CCCCN(C(=O)C[NH2+][C@H](CCC)C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000262276892 165319713 /nfs/dbraw/zinc/31/97/13/165319713.db2.gz JWHPPLPZBIDKOV-CHWSQXEVSA-N 0 0 348.465 0.645 10 0 ECAERN CCC[C@H]([NH2+]CCC(=O)N1CCN(c2ncccn2)CC1)C(=O)[O-] ZINC000262296305 165325425 /nfs/dbraw/zinc/32/54/25/165325425.db2.gz OWPVUHZRLFBJDQ-ZDUSSCGKSA-N 0 0 335.408 0.358 10 0 ECAERN CCn1cc(S(=O)(=O)NC2CC([N@H+](CC)CC(=O)[O-])C2)cn1 ZINC000262451034 165351843 /nfs/dbraw/zinc/35/18/43/165351843.db2.gz FVAUZAFJTULKLL-UHFFFAOYSA-N 0 0 330.410 0.119 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)CS(=O)(=O)CC(C)C)C1 ZINC000262722310 165378156 /nfs/dbraw/zinc/37/81/56/165378156.db2.gz QKRFDMRBWDVPMF-UHFFFAOYSA-N 0 0 334.438 0.111 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)CN2CCCCCC2=O)C1 ZINC000262738718 165380801 /nfs/dbraw/zinc/38/08/01/165380801.db2.gz VXGGFOFTARGOPX-UHFFFAOYSA-N 0 0 325.409 0.443 10 0 ECAERN O=S1(=O)N=C(NC[C@H](CO)Cc2ccccn2)c2ccccc21 ZINC000301596900 296888869 /nfs/dbraw/zinc/88/88/69/296888869.db2.gz SOPPIGRWBNEVPZ-GFCCVEGCSA-N 0 0 331.397 0.971 10 0 ECAERN CCS(=O)(=O)N1CC(CNc2ccc(S(C)(=O)=O)cc2)C1 ZINC000302552548 296898888 /nfs/dbraw/zinc/89/88/88/296898888.db2.gz KIBBSHUSAVPBTB-UHFFFAOYSA-N 0 0 332.447 0.784 10 0 ECAERN Cn1cc(S(=O)(=O)N2CCC(c3cc[nH]n3)CC2)cc1C(N)=O ZINC000122482455 222098264 /nfs/dbraw/zinc/09/82/64/222098264.db2.gz NPFLIYOHLZCBDF-UHFFFAOYSA-N 0 0 337.405 0.415 10 0 ECAERN CCn1cc(C2CCN(C(=O)CN3C(=O)NC(C)(C)C3=O)CC2)cn1 ZINC000123835174 222338375 /nfs/dbraw/zinc/33/83/75/222338375.db2.gz LPUPMAVIAMBWET-UHFFFAOYSA-N 0 0 347.419 0.939 10 0 ECAERN Cc1ccc([C@@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c2cnn(C)c2)o1 ZINC000087104793 263143699 /nfs/dbraw/zinc/14/36/99/263143699.db2.gz SOCGIEPICPIHBD-GHMZBOCLSA-N 0 0 340.405 0.866 10 0 ECAERN CC[C@H](CCO)NC(=O)NC[C@H]1CCCN1c1cc(NC)ncn1 ZINC000175238671 263151626 /nfs/dbraw/zinc/15/16/26/263151626.db2.gz FRBUCDYYMBDPDN-CHWSQXEVSA-N 0 0 336.440 0.947 10 0 ECAERN CC(C)c1nnc(Cn2nnnc2CNC(=O)OC(C)(C)C)n1C ZINC000179091426 263155481 /nfs/dbraw/zinc/15/54/81/263155481.db2.gz MZXVEXUHXYINFP-UHFFFAOYSA-N 0 0 336.400 0.998 10 0 ECAERN O=C(N[C@@H](CO)c1cccc(Br)c1)[C@@H]1CNC(=O)C1 ZINC000181114281 263156654 /nfs/dbraw/zinc/15/66/54/263156654.db2.gz OFJFZDGNEYSONE-ONGXEEELSA-N 0 0 327.178 0.735 10 0 ECAERN COC(=O)[C@@H]1CCCN(S(=O)(=O)c2cnn(CC(F)F)c2)C1 ZINC000186879532 263159903 /nfs/dbraw/zinc/15/99/03/263159903.db2.gz KNEOIPXPJRLTJI-SECBINFHSA-N 0 0 337.348 0.722 10 0 ECAERN CC(=O)NC1CN(C(=O)CS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000191487942 263165309 /nfs/dbraw/zinc/16/53/09/263165309.db2.gz AYXNKBARSGEYSO-UHFFFAOYSA-N 0 0 330.793 0.461 10 0 ECAERN C[C@H](CNC(=O)NCc1ccc(CO)c(F)c1)N1CCOCC1 ZINC000194923233 263169787 /nfs/dbraw/zinc/16/97/87/263169787.db2.gz MCOFMEYKMVQKIY-GFCCVEGCSA-N 0 0 325.384 0.838 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)CN2Cc3ccccc3C2=O)C1 ZINC000262695732 263177401 /nfs/dbraw/zinc/17/74/01/263177401.db2.gz DPEVJTXHCYREQF-UHFFFAOYSA-N 0 0 345.399 0.696 10 0 ECAERN CS(=O)(=O)Cc1ccc(C(=O)N2CC(NC(=O)C3CC3)C2)cc1 ZINC000189454218 437599613 /nfs/dbraw/zinc/59/96/13/437599613.db2.gz JRGFHMWQZGDNEL-UHFFFAOYSA-N 0 0 336.413 0.582 10 0 ECAERN CC1(C)C[C@H](NC(=O)c2cn(CC(N)=O)nn2)c2ccccc2O1 ZINC000121510381 278387496 /nfs/dbraw/zinc/38/74/96/278387496.db2.gz CXLCRSZFYRJTNB-NSHDSACASA-N 0 0 329.360 0.796 10 0 ECAERN Cc1cn2c(ncc(C(=O)N[C@H]3CCCn4ncnc43)c2=O)s1 ZINC000092949719 279004709 /nfs/dbraw/zinc/00/47/09/279004709.db2.gz VWOANSLCCCWQCM-JTQLQIEISA-N 0 0 330.373 0.921 10 0 ECAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)c1cnc2sccn2c1=O ZINC000081580387 279134959 /nfs/dbraw/zinc/13/49/59/279134959.db2.gz NDXFWRUAHKMFBK-JTQLQIEISA-N 0 0 330.373 0.921 10 0 ECAERN CCn1cnnc1-c1cccc(NC(=O)C(=O)N2CCC[C@H]2CO)c1 ZINC000120992734 281661420 /nfs/dbraw/zinc/66/14/20/281661420.db2.gz UAXBSIBWYRGQRG-AWEZNQCLSA-N 0 0 343.387 0.887 10 0 ECAERN C[C@@]1(C2CC2)NC(=O)N(CC(=O)N2CCC(c3cc[nH]n3)CC2)C1=O ZINC000125815348 289158182 /nfs/dbraw/zinc/15/81/82/289158182.db2.gz IPMGUEATMNICGJ-KRWDZBQOSA-N 0 0 345.403 0.836 10 0 ECAERN CNC(=O)CCN(C)C(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(F)cc1 ZINC000179315976 290395301 /nfs/dbraw/zinc/39/53/01/290395301.db2.gz BQLWTRWMJGGETR-BBRMVZONSA-N 0 0 335.379 0.940 10 0 ECAERN NC(=O)[C@@H]1COCCN1C(=O)Cc1ccc(Br)s1 ZINC000091784501 295119048 /nfs/dbraw/zinc/11/90/48/295119048.db2.gz ZWJSWFAKMOMDTG-QMMMGPOBSA-N 0 0 333.207 0.766 10 0 ECAERN O=C(c1ccccc1O)N1CCN([C@@H]2CCN(C3CC3)C2=O)CC1 ZINC000333018760 297100976 /nfs/dbraw/zinc/10/09/76/297100976.db2.gz CWGLHSOAEYPATN-OAHLLOKOSA-N 0 0 329.400 0.913 10 0 ECAERN Cc1cc(CS(=O)(=O)N[C@H]2CCO[C@@H]2c2cnn(C)c2C)on1 ZINC000333246973 297120726 /nfs/dbraw/zinc/12/07/26/297120726.db2.gz CLHCCVUMDSUZEP-UONOGXRCSA-N 0 0 340.405 0.975 10 0 ECAERN CC(C)(NC(=O)c1ccccc1)C(=O)N1CCN2C(=O)N=NC2C1 ZINC000333460981 297136426 /nfs/dbraw/zinc/13/64/26/297136426.db2.gz PPFRIYQIQBLMGC-UHFFFAOYSA-N 0 0 329.360 0.535 10 0 ECAERN Cc1cc(C(=O)N2CCS(=O)(=O)C[C@@H](C)C2)c2cnn(C)c2n1 ZINC000333533495 297140758 /nfs/dbraw/zinc/14/07/58/297140758.db2.gz YKNNANSDDTZZHT-JTQLQIEISA-N 0 0 336.417 0.783 10 0 ECAERN CCn1cnnc1[C@H]1CN(C(=O)C(F)(F)C2(O)CCC2)CCO1 ZINC000364673515 300377480 /nfs/dbraw/zinc/37/74/80/300377480.db2.gz NFLHPGZRDSZSNM-SNVBAGLBSA-N 0 0 330.335 0.748 10 0 ECAERN CC(=O)N1CCOC[C@@H]1C(=O)NCc1ccccc1Cn1cncn1 ZINC000367103598 300592448 /nfs/dbraw/zinc/59/24/48/300592448.db2.gz PGOYYSGSXDOLNU-MRXNPFEDSA-N 0 0 343.387 0.190 10 0 ECAERN c1cncc(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)c1 ZINC000005255867 435986546 /nfs/dbraw/zinc/98/65/46/435986546.db2.gz CZFAEGIYQFOGGG-UHFFFAOYSA-N 0 0 343.391 0.683 10 0 ECAERN CCN1C(=O)CC[C@H](C(=O)N2CC[C@](C)(O)C2)[C@@H]1c1cnn(C)c1 ZINC000370260184 300810429 /nfs/dbraw/zinc/81/04/29/300810429.db2.gz GIIKFEBGJOFQAA-QRTARXTBSA-N 0 0 334.420 0.703 10 0 ECAERN CC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)[C@@H]([NH3+])C3=CCC=CC3)[C@@H]2SC1 ZINC000007996915 436019181 /nfs/dbraw/zinc/01/91/81/436019181.db2.gz RDLPVSKMFDYCOR-RWSFTLGLSA-N 0 0 349.412 0.349 10 0 ECAERN CC(=O)N1CSC[C@@H]1C(=O)N1CCO[C@@](C)(c2cnn(C)c2)C1 ZINC000370487364 300833922 /nfs/dbraw/zinc/83/39/22/300833922.db2.gz CKXWLZGLFOZIFX-UKRRQHHQSA-N 0 0 338.433 0.416 10 0 ECAERN C[C@]1(C2CC2)NC(=O)N(CC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)C1=O ZINC000372782449 301029147 /nfs/dbraw/zinc/02/91/47/301029147.db2.gz QVYHLALZUDXNRS-XWIAVFTESA-N 0 0 349.431 0.861 10 0 ECAERN CC(C)(C)C(=O)N1CCC[C@@H](C(=O)N2CCC[C@@](O)(C(N)=O)C2)C1 ZINC000375776429 301208281 /nfs/dbraw/zinc/20/82/81/301208281.db2.gz QVYCWSKXHDUWQX-PXAZEXFGSA-N 0 0 339.436 0.110 10 0 ECAERN NC(=O)[C@@]1(O)CCCN(C(=O)[C@@H]2CCCN(CC(F)(F)F)C2)C1 ZINC000375783353 301208731 /nfs/dbraw/zinc/20/87/31/301208731.db2.gz RGADPVZBXWLODP-ZWNOBZJWSA-N 0 0 337.342 0.100 10 0 ECAERN CCN1CCN(C(=O)[C@H](C)N2CCN(Cc3ccon3)CC2)CC1 ZINC000075857584 436178492 /nfs/dbraw/zinc/17/84/92/436178492.db2.gz HBJLPSACBFCCON-HNNXBMFYSA-N 0 0 335.452 0.345 10 0 ECAERN Cc1cc2c(c(=O)o1)[C@@]1(c3ccccc3NC1=O)C([N+](=O)[O-])=C(N)O2 ZINC000020356913 301436154 /nfs/dbraw/zinc/43/61/54/301436154.db2.gz DXDCWHDSCSVKFJ-INIZCTEOSA-N 0 0 341.279 0.983 10 0 ECAERN COCCN(C[C@@H]1CN(C[C@@H](C)O)CCO1)C(=O)c1ccccc1 ZINC000034667324 436255919 /nfs/dbraw/zinc/25/59/19/436255919.db2.gz PKGCNUSDMGOINC-WBVHZDCISA-N 0 0 336.432 0.857 10 0 ECAERN COC(=O)[C@@H]1CCCCN1C(=O)Cn1c(=O)cnc2ccccc21 ZINC000042647131 436311031 /nfs/dbraw/zinc/31/10/31/436311031.db2.gz KSXVJMDXIYUIME-AWEZNQCLSA-N 0 0 329.356 0.951 10 0 ECAERN CCc1ccc([C@H](C)NC(=O)C(=O)Nc2cnn(CC(N)=O)c2)cc1 ZINC000080142909 436311756 /nfs/dbraw/zinc/31/17/56/436311756.db2.gz QDYFALGTZRDOSV-NSHDSACASA-N 0 0 343.387 0.747 10 0 ECAERN CCc1nnc(CS(=O)(=O)CC(=O)NC2CCC(C)CC2)n1C ZINC000091049675 436439245 /nfs/dbraw/zinc/43/92/45/436439245.db2.gz AZPPZDQSDYPRJT-UHFFFAOYSA-N 0 0 342.465 0.987 10 0 ECAERN CNC(=O)c1cccc(CNC(=O)NC[C@@H](C)N2CCOCC2)c1 ZINC000049131059 436464589 /nfs/dbraw/zinc/46/45/89/436464589.db2.gz VAZBTRLJEYHPSD-CYBMUJFWSA-N 0 0 334.420 0.566 10 0 ECAERN NC(=O)[C@H]1COCCN1CCCCCn1nnc(-c2ccccc2)n1 ZINC000092228621 436467973 /nfs/dbraw/zinc/46/79/73/436467973.db2.gz ULNUAIZOTMODJK-OAHLLOKOSA-N 0 0 344.419 0.697 10 0 ECAERN CCCN(Cc1ccc(C)cc1)C(=O)CN1CCOC[C@@H]1C(N)=O ZINC000092231288 436468275 /nfs/dbraw/zinc/46/82/75/436468275.db2.gz NQDSDOHZSKHKQW-MRXNPFEDSA-N 0 0 333.432 0.920 10 0 ECAERN COCCc1noc(CO[C@@H]2CCCN(S(=O)(=O)C(C)C)C2)n1 ZINC000097942633 436543730 /nfs/dbraw/zinc/54/37/30/436543730.db2.gz YLYTYXYTXSWLIF-GFCCVEGCSA-N 0 0 347.437 0.978 10 0 ECAERN CCc1cccc(NC(=O)CNC(=O)NC[C@H]2CN(C)CCO2)c1 ZINC000104798665 436563016 /nfs/dbraw/zinc/56/30/16/436563016.db2.gz VTTRZSJYNUYMOA-HNNXBMFYSA-N 0 0 334.420 0.817 10 0 ECAERN C[C@H](NC(=O)NC[C@@H]1CN(C)CCO1)c1ccc2c(c1)CC(=O)N2 ZINC000104790841 436564278 /nfs/dbraw/zinc/56/42/78/436564278.db2.gz GRHJGZDDIVMUJW-SMDDNHRTSA-N 0 0 332.404 0.872 10 0 ECAERN COCCCNC(=O)[C@H](C)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000105869648 436583760 /nfs/dbraw/zinc/58/37/60/436583760.db2.gz KRKSYKUCMAGUJZ-HNNXBMFYSA-N 0 0 337.468 0.469 10 0 ECAERN Cn1cc(CN2CCCN(CC(=O)NC3CCOCC3)CC2)cn1 ZINC000105870097 436583909 /nfs/dbraw/zinc/58/39/09/436583909.db2.gz NEMKGKBOSLZUSY-UHFFFAOYSA-N 0 0 335.452 0.223 10 0 ECAERN CCCCOCCNC(=O)CN1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000105892777 436584730 /nfs/dbraw/zinc/58/47/30/436584730.db2.gz ZVFUMPWAKFJOBQ-MRXNPFEDSA-N 0 0 338.452 0.825 10 0 ECAERN CC(C)CCOCCNC(=O)CN1CCO[C@@H](Cn2cccn2)C1 ZINC000105890573 436584919 /nfs/dbraw/zinc/58/49/19/436584919.db2.gz ROAGHUOYMOPLQD-MRXNPFEDSA-N 0 0 338.452 0.763 10 0 ECAERN COc1ccccc1CNC(=O)CN1CCO[C@@H](Cn2cccn2)C1 ZINC000105888632 436585086 /nfs/dbraw/zinc/58/50/86/436585086.db2.gz UVUQPRSZJDVVIW-MRXNPFEDSA-N 0 0 344.415 0.909 10 0 ECAERN Cc1noc([C@H](C)N2CCN(Cc3nc(N)nc(N(C)C)n3)CC2)n1 ZINC000106133468 436590634 /nfs/dbraw/zinc/59/06/34/436590634.db2.gz VQDQOWUOFZJHLE-JTQLQIEISA-N 0 0 347.427 0.090 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)Cn2ccc(=O)c3ccccc32)CC1 ZINC000106398275 436594028 /nfs/dbraw/zinc/59/40/28/436594028.db2.gz QWBOLKUKDDKJSI-HNNXBMFYSA-N 0 0 343.427 0.917 10 0 ECAERN CN1CCO[C@@H](CNC(=O)NCCOc2ccc(F)c(F)c2)C1 ZINC000106561382 436599087 /nfs/dbraw/zinc/59/90/87/436599087.db2.gz IAYOKQQGVOOERJ-LBPRGKRZSA-N 0 0 329.347 0.973 10 0 ECAERN CN(C)c1ncccc1CNC(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111817094 436632387 /nfs/dbraw/zinc/63/23/87/436632387.db2.gz WOAHEYXHTSQPLS-OAHLLOKOSA-N 0 0 344.419 0.955 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)NCCNC(=O)c1ccco1)CC2 ZINC000114921466 436645197 /nfs/dbraw/zinc/64/51/97/436645197.db2.gz QNIWUEWWZWYGLO-LLVKDONJSA-N 0 0 346.391 0.478 10 0 ECAERN COCC(=O)N1CCc2c(c(C(=O)NCc3ccccc3)nn2C)C1 ZINC000064893061 436650490 /nfs/dbraw/zinc/65/04/90/436650490.db2.gz XREYCNZBLPRATR-UHFFFAOYSA-N 0 0 342.399 0.881 10 0 ECAERN C=CC(=O)NCCCOCCOCCOCCCNC(=O)C=C ZINC000136734678 436651416 /nfs/dbraw/zinc/65/14/16/436651416.db2.gz OFVUNPPLROIJBD-UHFFFAOYSA-N 0 0 328.409 0.421 10 0 ECAERN CNC(=O)N1CCN(c2nc3ccncc3n(CC(C)C)c2=O)CC1 ZINC000065292851 436654033 /nfs/dbraw/zinc/65/40/33/436654033.db2.gz LEZFYXRUAINHQI-UHFFFAOYSA-N 0 0 344.419 0.909 10 0 ECAERN CNS(=O)(=O)c1ccc(C(=O)N2CC[C@H](c3cnn(C)c3)C2)cc1 ZINC000116228317 436649397 /nfs/dbraw/zinc/64/93/97/436649397.db2.gz LURIHZVRFPGAKP-ZDUSSCGKSA-N 0 0 348.428 0.958 10 0 ECAERN O=C1c2cccc(NCC3CC3)c2C(=O)N1[C@H]1CCC(=O)NC1=O ZINC000117652865 436658725 /nfs/dbraw/zinc/65/87/25/436658725.db2.gz BHAWWZJZGQTPRR-LBPRGKRZSA-N 0 0 327.340 0.910 10 0 ECAERN C[C@@H](CNC(=O)N[C@@H](C)[C@H](O)Cc1ccccc1)N1CCOCC1 ZINC000120550555 436691051 /nfs/dbraw/zinc/69/10/51/436691051.db2.gz DPQVGNBHFRRNKX-YQQAZPJKSA-N 0 0 335.448 0.998 10 0 ECAERN C[C@@H](NC(N)=O)C(=O)NCC1CCN(C(=O)c2ccccc2)CC1 ZINC000150786467 436691509 /nfs/dbraw/zinc/69/15/09/436691509.db2.gz YBFUQJSIWYTCNN-GFCCVEGCSA-N 0 0 332.404 0.712 10 0 ECAERN CCC1CCC(NC(=O)N2CCN(CCS(N)(=O)=O)CC2)CC1 ZINC000195500544 436693304 /nfs/dbraw/zinc/69/33/04/436693304.db2.gz RWZFAWIULXUYGG-UHFFFAOYSA-N 0 0 346.497 0.571 10 0 ECAERN O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)N[C@@H]1CCCC[C@H]1CO ZINC000151142403 436697318 /nfs/dbraw/zinc/69/73/18/436697318.db2.gz IXLUHZYQVQWFJK-GXTWGEPZSA-N 0 0 345.399 0.747 10 0 ECAERN O=C(NC1CC1)c1ccc(C(=O)N[C@H]2CCc3ncnn3C2)cc1 ZINC000120906151 436701913 /nfs/dbraw/zinc/70/19/13/436701913.db2.gz MSHXINZWFPDBSL-AWEZNQCLSA-N 0 0 325.372 0.915 10 0 ECAERN O=C(Nc1ccc(Br)nc1)C(=O)N1CCC[C@@H]1CO ZINC000121225554 436709671 /nfs/dbraw/zinc/70/96/71/436709671.db2.gz BMIJAZFNMNMYII-SECBINFHSA-N 0 0 328.166 0.766 10 0 ECAERN CN(C(=O)NCCn1ccnc1)[C@H]1CCCN(c2cccnn2)C1 ZINC000151804302 436712713 /nfs/dbraw/zinc/71/27/13/436712713.db2.gz FQJALTBAWBFYMQ-AWEZNQCLSA-N 0 0 329.408 0.984 10 0 ECAERN CCc1nnc([C@H]2CN(C(=O)Cn3ccc(C)cc3=O)CCO2)[nH]1 ZINC000194771065 436671221 /nfs/dbraw/zinc/67/12/21/436671221.db2.gz KYQVBHSGVCJHPK-GFCCVEGCSA-N 0 0 331.376 0.437 10 0 ECAERN Cc1c(CCOS(=O)(=O)[O-])sc[n+]1Cc1cnc(C)nc1N ZINC000065748831 436672266 /nfs/dbraw/zinc/67/22/66/436672266.db2.gz DXANYXRZRNXGSC-UHFFFAOYSA-O 0 0 345.426 0.435 10 0 in-vitro ECAERN O=C(NC[C@H](O)COc1ccc(C(F)(F)F)cc1)[C@H]1CNC(=O)C1 ZINC000195093354 436678362 /nfs/dbraw/zinc/67/83/62/436678362.db2.gz RPRNAKWYSRSJLT-KOLCDFICSA-N 0 0 346.305 0.697 10 0 ECAERN CC(=O)NCCNC(=O)N1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000120184082 436681620 /nfs/dbraw/zinc/68/16/20/436681620.db2.gz GBUDRLVKYVTRGC-FZMZJTMJSA-N 0 0 327.331 0.918 10 0 ECAERN CCCCOC[C@@H](O)CN1CCN(c2ncccc2C(N)=O)CC1 ZINC000195186458 436682950 /nfs/dbraw/zinc/68/29/50/436682950.db2.gz WQCIGOJIRZXKKT-AWEZNQCLSA-N 0 0 336.436 0.480 10 0 ECAERN CC(C)(C)OC[C@H](O)CN1CCN(C[C@@H](O)COC(C)(C)C)CC1 ZINC000121609417 436720214 /nfs/dbraw/zinc/72/02/14/436720214.db2.gz JJYDYXKBLYAOCM-HZPDHXFCSA-N 0 0 346.512 0.956 10 0 ECAERN C[C@H](CNC(=O)N[C@@H](C)C(=O)N1CCCCC1)N1CCOCC1 ZINC000152176403 436720770 /nfs/dbraw/zinc/72/07/70/436720770.db2.gz WREBLLPNCSYVAU-KGLIPLIRSA-N 0 0 326.441 0.407 10 0 ECAERN C[C@H](NS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1)c1nnc2n1CCCC2 ZINC000121771659 436723960 /nfs/dbraw/zinc/72/39/60/436723960.db2.gz FEISOEMFDZDDCY-TUAOUCFPSA-N 0 0 343.453 0.619 10 0 ECAERN CCCNC(=O)CN(C)C(=O)CN1CC[C@H](Oc2cccnc2)C1 ZINC000152352478 436727527 /nfs/dbraw/zinc/72/75/27/436727527.db2.gz VMPWFXRMIBMVMZ-HNNXBMFYSA-N 0 0 334.420 0.519 10 0 ECAERN CN(C(=O)C1=NN(C)C(=O)CC1)[C@H]1CCCN(c2cccnn2)C1 ZINC000121962305 436729194 /nfs/dbraw/zinc/72/91/94/436729194.db2.gz OSQMWVJXKKWRLV-LBPRGKRZSA-N 0 0 330.392 0.512 10 0 ECAERN C[C@H](NC(=O)N1CC(=O)N[C@H]2CCCC[C@H]21)C(=O)N1CCCCC1 ZINC000152660768 436736066 /nfs/dbraw/zinc/73/60/66/436736066.db2.gz JIZFVERCYYMSNT-MELADBBJSA-N 0 0 336.436 0.840 10 0 ECAERN C[C@H]1C[C@@H]1NC(=O)C(=O)Nc1cc(Br)cn(C)c1=O ZINC000124557650 436753653 /nfs/dbraw/zinc/75/36/53/436753653.db2.gz GSDKUKXKETZGFQ-XPUUQOCRSA-N 0 0 328.166 0.611 10 0 ECAERN C[C@H](NC(=O)c1ccco1)C(=O)N[C@@H]1CCCN(c2cccnn2)C1 ZINC000125039499 436761613 /nfs/dbraw/zinc/76/16/13/436761613.db2.gz MRESUHHTUTWNIP-QWHCGFSZSA-N 0 0 343.387 0.973 10 0 ECAERN COC(=O)[C@@H]1CCC[C@H](C(=O)N2CCN(C[C@H](C)O)[C@@H](C)C2)C1 ZINC000245414649 436762616 /nfs/dbraw/zinc/76/26/16/436762616.db2.gz CMMNGQOLMHNFRH-ZQDZILKHSA-N 0 0 326.437 0.879 10 0 ECAERN CC[C@H]1CN(C(=O)CSc2n[nH]c(C)n2)CCN1C[C@H](C)O ZINC000245444862 436762755 /nfs/dbraw/zinc/76/27/55/436762755.db2.gz YKXYKJRKKZPUPR-JQWIXIFHSA-N 0 0 327.454 0.509 10 0 ECAERN NC(=O)[C@@H](O)CNc1ncc(Br)cc1Br ZINC000228597513 436715565 /nfs/dbraw/zinc/71/55/65/436715565.db2.gz RZVDAVDCSZJJAP-LURJTMIESA-N 0 0 338.987 0.865 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)NCCCO[C@H]1CCOC1)CC2 ZINC000121513091 436716874 /nfs/dbraw/zinc/71/68/74/436716874.db2.gz TYFFVBVSYXIUGQ-OLZOCXBDSA-N 0 0 337.424 0.650 10 0 ECAERN O=C(NC[C@H](O)CN1CCOCC1)c1sccc1OC(F)F ZINC000128135851 436813137 /nfs/dbraw/zinc/81/31/37/436813137.db2.gz VXHGJNIHBUMOCZ-VIFPVBQESA-N 0 0 336.360 0.772 10 0 ECAERN CCCn1nccc1NC(=O)C(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000154555309 436781287 /nfs/dbraw/zinc/78/12/87/436781287.db2.gz RZLWZPLKPMZDEH-CYBMUJFWSA-N 0 0 346.391 0.356 10 0 ECAERN Cc1nc(CN2CCCN(C(=O)C(F)(F)C3(O)CCC3)CC2)no1 ZINC000154833208 436785901 /nfs/dbraw/zinc/78/59/01/436785901.db2.gz UPBVKALOBMIYAI-UHFFFAOYSA-N 0 0 344.362 0.963 10 0 ECAERN Cc1cc(F)ccc1NC(=O)C(=O)N1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000246891788 436786728 /nfs/dbraw/zinc/78/67/28/436786728.db2.gz FDRJBDWYOLDTSI-STQMWFEESA-N 0 0 337.395 0.986 10 0 ECAERN O=C(CCNS(=O)(=O)c1cccs1)N1CC[C@@H](CCO)C1 ZINC000126894430 436794198 /nfs/dbraw/zinc/79/41/98/436794198.db2.gz ZVBJEULNSHGICE-NSHDSACASA-N 0 0 332.447 0.647 10 0 ECAERN Cc1ccn(C)c(=O)c1NC(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000155496702 436796243 /nfs/dbraw/zinc/79/62/43/436796243.db2.gz VKWYJXRMXXMGFX-KBPBESRZSA-N 0 0 334.420 0.878 10 0 ECAERN CNC(=O)[C@@H]1CCCN1C(=O)NCc1cccnc1-n1ccnc1 ZINC000155775830 436804257 /nfs/dbraw/zinc/80/42/57/436804257.db2.gz RORSHPDTAJWEDG-ZDUSSCGKSA-N 0 0 328.376 0.687 10 0 ECAERN O=C(NC[C@]1(O)CCc2ccccc21)N[C@H]1CCc2ncnn2C1 ZINC000127685603 436804889 /nfs/dbraw/zinc/80/48/89/436804889.db2.gz WEADQAZYADQTRO-SUMWQHHRSA-N 0 0 327.388 0.726 10 0 ECAERN COC[C@@H]1CN(c2cnccn2)C[C@H]1C(=O)NCc1ccccn1 ZINC000253414881 436843959 /nfs/dbraw/zinc/84/39/59/436843959.db2.gz YXGJBMOSDCNDIS-DZGCQCFKSA-N 0 0 327.388 0.887 10 0 ECAERN CCOCCN1CCN(C(=O)Cn2c(C)cc(O)cc2=O)C[C@H]1C ZINC000131060829 436845758 /nfs/dbraw/zinc/84/57/58/436845758.db2.gz JZKLXDPFWBMOJI-CQSZACIVSA-N 0 0 337.420 0.432 10 0 ECAERN C[C@H](CNC(=O)Nc1ccnn1C[C@@H]1CCOC1)N1CCOCC1 ZINC000159247552 436855632 /nfs/dbraw/zinc/85/56/32/436855632.db2.gz GOOMJYLSVODRCO-KGLIPLIRSA-N 0 0 337.424 0.762 10 0 ECAERN COC[C@@H]1CN(C(=O)c2cncc(Br)c2)C[C@H]1C(N)=O ZINC000257194894 436860325 /nfs/dbraw/zinc/86/03/25/436860325.db2.gz UWXNQHXDSPBHBV-GXSJLCMTSA-N 0 0 342.193 0.664 10 0 ECAERN CNc1cc(N2CCC[C@H]2CNC(=O)c2c[nH]c(=O)cc2C)ncn1 ZINC000132347737 436864319 /nfs/dbraw/zinc/86/43/19/436864319.db2.gz ZDTNNHDDAFKRJV-LBPRGKRZSA-N 0 0 342.403 0.914 10 0 ECAERN COc1ccc(F)cc1NC(=O)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000129179008 436823380 /nfs/dbraw/zinc/82/33/80/436823380.db2.gz GQJWTWGCNNJGQT-SNVBAGLBSA-N 0 0 333.323 0.496 10 0 ECAERN CN1CCO[C@H](CNC(=O)CCN2C(=O)CCc3ccccc32)C1 ZINC000157670524 436832868 /nfs/dbraw/zinc/83/28/68/436832868.db2.gz UAVKJGFIXBSJNC-OAHLLOKOSA-N 0 0 331.416 0.803 10 0 ECAERN CC(C)[C@H](NC(=O)NCC[S@](=O)Cc1ccccc1)C(N)=O ZINC000135269317 436911945 /nfs/dbraw/zinc/91/19/45/436911945.db2.gz DVJAFSRYPVUGOQ-WHEQGISXSA-N 0 0 325.434 0.744 10 0 ECAERN C[C@H]1CN(C(=O)NC[C@@H]2CN(C)CCO2)CCN1CC(F)(F)F ZINC000135341442 436914873 /nfs/dbraw/zinc/91/48/73/436914873.db2.gz MABIFQHIMDNFAG-NWDGAFQWSA-N 0 0 338.374 0.595 10 0 ECAERN CC(C)(C)OC[C@H](O)CN1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 ZINC000133322425 436877534 /nfs/dbraw/zinc/87/75/34/436877534.db2.gz ZVCCEBKXMCODLB-CQSZACIVSA-N 0 0 337.420 0.309 10 0 ECAERN CCc1n[nH]c(=O)c(C(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)c1CC ZINC000136002601 436927382 /nfs/dbraw/zinc/92/73/82/436927382.db2.gz HCGRMMTWZNGYTH-SWLSCSKDSA-N 0 0 348.447 0.687 10 0 ECAERN Nc1ccnc(CN2CCN(C[C@H](O)COc3ccccc3)CC2)n1 ZINC000135055952 436907642 /nfs/dbraw/zinc/90/76/42/436907642.db2.gz QNMPLOROPMMLTR-HNNXBMFYSA-N 0 0 343.431 0.616 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)NCCN2CCSCC2)C1 ZINC000263312701 436962633 /nfs/dbraw/zinc/96/26/33/436962633.db2.gz YZKCNDISSQGFNU-UHFFFAOYSA-N 0 0 344.481 0.272 10 0 ECAERN CCCS(=O)(=O)CC(=O)N1CCC[C@H](Cc2noc(C)n2)C1 ZINC000171232488 436974548 /nfs/dbraw/zinc/97/45/48/436974548.db2.gz ZXDFLHUKDCXMOE-GFCCVEGCSA-N 0 0 329.422 0.984 10 0 ECAERN CN1CCO[C@@H](CNC(=O)CNC(=O)c2cccc(Cl)c2)C1 ZINC000171288827 436976036 /nfs/dbraw/zinc/97/60/36/436976036.db2.gz HYUALFWVTGWTBS-ZDUSSCGKSA-N 0 0 325.796 0.517 10 0 ECAERN [NH3+][C@@H](Cn1cc(Br)cc(Br)c1=O)C(=O)[O-] ZINC000163969788 436928487 /nfs/dbraw/zinc/92/84/87/436928487.db2.gz ZEVVNZUDWWNHEF-LURJTMIESA-N 0 0 339.971 0.785 10 0 ECAERN CCOC(=O)C[C@H]1CNC(=O)CN1S(=O)(=O)c1ccc(C)cc1 ZINC000165123805 436935146 /nfs/dbraw/zinc/93/51/46/436935146.db2.gz VRARRAGGGAFMCN-LBPRGKRZSA-N 0 0 340.401 0.437 10 0 ECAERN Cc1nsc(N2CCCN(C(=O)[C@@H]3CC(F)(F)CN3)CC2)n1 ZINC000263057133 436950351 /nfs/dbraw/zinc/95/03/51/436950351.db2.gz UZCZITZJJGGUJK-JTQLQIEISA-N 0 0 331.392 0.882 10 0 ECAERN Cc1ccc(C(=O)N2CCC(NC(=O)[C@@H]3CNC(=O)C3)CC2)cc1 ZINC000170775128 436952626 /nfs/dbraw/zinc/95/26/26/436952626.db2.gz JHQIYFZVGWBECO-AWEZNQCLSA-N 0 0 329.400 0.852 10 0 ECAERN CN1CC[NH2+]C[C@@H]1c1noc(-c2ccccc2[N-]S(C)(=O)=O)n1 ZINC000263171372 436954470 /nfs/dbraw/zinc/95/44/70/436954470.db2.gz FUHRAXHSIQJGPW-GFCCVEGCSA-N 0 0 337.405 0.684 10 0 ECAERN O=C(Cc1ccccc1)NCC(=O)N1CCC[C@H](n2cncn2)C1 ZINC000171664424 436985968 /nfs/dbraw/zinc/98/59/68/436985968.db2.gz ZNWKSNLBQGFFRW-HNNXBMFYSA-N 0 0 327.388 0.801 10 0 ECAERN O=C(N[C@H]1CCc2ncnn2C1)c1ccccc1N1CCOCC1 ZINC000172001933 436996339 /nfs/dbraw/zinc/99/63/39/436996339.db2.gz YMUMVWDOAVNUOQ-ZDUSSCGKSA-N 0 0 327.388 0.860 10 0 ECAERN Cc1nn(C)c(C)c1CN1CCN(C(=O)NCc2cnn(C)c2)CC1 ZINC000172066986 436997797 /nfs/dbraw/zinc/99/77/97/436997797.db2.gz YRZADJJFQDBQRL-UHFFFAOYSA-N 0 0 345.451 0.798 10 0 ECAERN C[C@H](NC(=O)N1CCCN(Cc2cnn(C)c2)CC1)C(=O)N(C)C ZINC000172135524 437001122 /nfs/dbraw/zinc/00/11/22/437001122.db2.gz PBOGMQPKVSUPTR-ZDUSSCGKSA-N 0 0 336.440 0.114 10 0 ECAERN CC(C)(CNC(=O)N1CCC[C@@H](n2cncn2)C1)N1CCOCC1 ZINC000173367948 437045793 /nfs/dbraw/zinc/04/57/93/437045793.db2.gz XXLTZCVQRNFPNP-CQSZACIVSA-N 0 0 336.440 0.735 10 0 ECAERN O=C(N[C@H]1CCc2ncnn2C1)c1cn(Cc2cccs2)nn1 ZINC000173372354 437046209 /nfs/dbraw/zinc/04/62/09/437046209.db2.gz GBMRWYWTSKNJTD-JTQLQIEISA-N 0 0 329.389 0.724 10 0 ECAERN CCc1nnc([C@@H]2CN(C(=O)CCCNC(=O)C3CC3)CCO2)[nH]1 ZINC000173561911 437056190 /nfs/dbraw/zinc/05/61/90/437056190.db2.gz LJNCLKKQBWKKCD-LBPRGKRZSA-N 0 0 335.408 0.573 10 0 ECAERN O=C(c1ccccc1Cn1cncn1)N1CC[C@@H](N2CCOCC2)C1 ZINC000173764131 437061718 /nfs/dbraw/zinc/06/17/18/437061718.db2.gz KAFGMRHOWUSJEZ-MRXNPFEDSA-N 0 0 341.415 0.873 10 0 ECAERN CCCCCS(=O)(=O)CC(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000173821292 437066677 /nfs/dbraw/zinc/06/66/77/437066677.db2.gz SHKNWVVKDOCRMZ-HUUCEWRRSA-N 0 0 346.493 0.771 10 0 ECAERN O=C(CN1CC[C@@H](N2CCOCC2)C1)NC(=O)NCc1ccco1 ZINC000173934031 437068605 /nfs/dbraw/zinc/06/86/05/437068605.db2.gz YRLQYLQNCJLZHN-CYBMUJFWSA-N 0 0 336.392 0.012 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)Nc1ccn(CC[NH+](C)C)n1)CC2 ZINC000173954739 437070092 /nfs/dbraw/zinc/07/00/92/437070092.db2.gz ZLHWKRMKAWXPEB-LBPRGKRZSA-N 0 0 346.439 0.735 10 0 ECAERN CC[C@@H]1CN(C(=O)CS(=O)(=O)CC(C)C)CCN1C[C@@H](C)O ZINC000174636473 437085158 /nfs/dbraw/zinc/08/51/58/437085158.db2.gz AKOSNSWHIDGHQL-ZIAGYGMSSA-N 0 0 334.482 0.361 10 0 ECAERN COCCN1CCN(C(=O)C(=O)Nc2ccc3n[nH]cc3c2)C[C@H]1C ZINC000174896265 437090847 /nfs/dbraw/zinc/09/08/47/437090847.db2.gz GTBDAILTORGOBE-GFCCVEGCSA-N 0 0 345.403 0.681 10 0 ECAERN CCC1(CC)CN(c2ncc(S(N)(=O)=O)s2)CC[S@@]1=O ZINC000302218788 437141176 /nfs/dbraw/zinc/14/11/76/437141176.db2.gz LGNSOVROSUFBGW-IBGZPJMESA-N 0 0 337.492 0.918 10 0 ECAERN CC[C@@H]1CN(C(=O)NCc2ccc(C(N)=O)o2)CC[N@@H+]1CCOC ZINC000176638180 437150156 /nfs/dbraw/zinc/15/01/56/437150156.db2.gz LRAUZRFJSCHDPQ-GFCCVEGCSA-N 0 0 338.408 0.631 10 0 ECAERN CC[C@@H](NC(=O)N(C)C[C@H]1CCC[N@@H+]1CC)C(=O)N1CCOCC1 ZINC000176623541 437151071 /nfs/dbraw/zinc/15/10/71/437151071.db2.gz OFVQWEZWLYGUBX-HUUCEWRRSA-N 0 0 340.468 0.750 10 0 ECAERN CN(C)c1ncccc1O[C@H]1CCN(C(=O)N[C@@H]2CCN(C)C2=O)C1 ZINC000276714655 437151881 /nfs/dbraw/zinc/15/18/81/437151881.db2.gz PVWIBHDSFTZGTE-QWHCGFSZSA-N 0 0 347.419 0.541 10 0 ECAERN C[C@H](CS(C)(=O)=O)C(=O)N(C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000176867209 437160143 /nfs/dbraw/zinc/16/01/43/437160143.db2.gz LJULJCQIRGIJIL-CHWSQXEVSA-N 0 0 340.449 0.585 10 0 ECAERN C[C@H]1CN(C(=O)NCCNC(=O)C(C)(C)C)C[C@H]1N1CCOCC1 ZINC000175740077 437115369 /nfs/dbraw/zinc/11/53/69/437115369.db2.gz FODFVGQONHRSFT-UONOGXRCSA-N 0 0 340.468 0.511 10 0 ECAERN COc1ccccc1C(=O)NCC(=O)N[C@H]1CCCn2ncnc21 ZINC000175821675 437117480 /nfs/dbraw/zinc/11/74/80/437117480.db2.gz IJQYAVIDTSILCZ-LBPRGKRZSA-N 0 0 329.360 0.668 10 0 ECAERN Cn1ncc(NC[C@H]2CN(C3CC3)CCO2)c(Br)c1=O ZINC000301270686 437117975 /nfs/dbraw/zinc/11/79/75/437117975.db2.gz XXODSWHWFMZPHN-JTQLQIEISA-N 0 0 343.225 0.818 10 0 ECAERN CNC(=O)CN1CCC(NC(=O)N[C@@H]2CCCC[C@H]2CO)CC1 ZINC000175950865 437125886 /nfs/dbraw/zinc/12/58/86/437125886.db2.gz FDTPPDFUJMVJJV-GXTWGEPZSA-N 0 0 326.441 0.047 10 0 ECAERN CNc1cc(N2CCC[C@H]2CNC(=O)N[C@@H]2C=C[C@H](CO)C2)ncn1 ZINC000176125936 437133139 /nfs/dbraw/zinc/13/31/39/437133139.db2.gz OGGLVHYYBOMTBG-MJBXVCDLSA-N 0 0 346.435 0.723 10 0 ECAERN CC(C)N1C(=O)C[C@H](NC(=O)[C@@H](Cc2ccccc2)N(C)C)C1=O ZINC000176242474 437138102 /nfs/dbraw/zinc/13/81/02/437138102.db2.gz VVTHOLJYNSCRNT-LSDHHAIUSA-N 0 0 331.416 0.811 10 0 ECAERN O=C(CCNC(=O)Cc1ccccc1)N[C@@H]1CCCn2ncnc21 ZINC000177552724 437189367 /nfs/dbraw/zinc/18/93/67/437189367.db2.gz OPQMKDFGZICQAE-CQSZACIVSA-N 0 0 327.388 0.978 10 0 ECAERN CCOCCN1CCN(C(=O)C(=O)Nc2ccn(C)n2)C[C@@H]1CC ZINC000177618903 437192161 /nfs/dbraw/zinc/19/21/61/437192161.db2.gz QOYBDYTZDNAAQO-ZDUSSCGKSA-N 0 0 337.424 0.318 10 0 ECAERN C[C@@]1(C2CC2)NC(=O)N(CC(=O)N2CCC[C@@H]2Cn2ccnc2)C1=O ZINC000177798302 437197840 /nfs/dbraw/zinc/19/78/40/437197840.db2.gz PBDMUANJMYZHHJ-DYVFJYSZSA-N 0 0 345.403 0.595 10 0 ECAERN CNC(=O)[C@H](NC(=O)NCCn1c2ccccc2oc1=O)C(C)C ZINC000178409879 437215078 /nfs/dbraw/zinc/21/50/78/437215078.db2.gz SINUWNRHRZMMGO-CYBMUJFWSA-N 0 0 334.376 0.664 10 0 ECAERN COc1nc(NC[C@@H](O)CN2CCOCC2)ncc1Br ZINC000178766874 437228121 /nfs/dbraw/zinc/22/81/21/437228121.db2.gz LDJWLWJUKRXFIN-SECBINFHSA-N 0 0 347.213 0.353 10 0 ECAERN CCc1noc([C@H]2C[C@H](O)CN2S(=O)(=O)CC[C@H]2CCCO2)n1 ZINC000328627733 437242257 /nfs/dbraw/zinc/24/22/57/437242257.db2.gz MZZQZOKTXZEONR-QJPTWQEYSA-N 0 0 345.421 0.639 10 0 ECAERN Cn1cnnc1[C@H]1CN(C[C@H](O)COCc2ccccc2)CCO1 ZINC000328627837 437242281 /nfs/dbraw/zinc/24/22/81/437242281.db2.gz GPQDONYLJDHJEZ-JKSUJKDBSA-N 0 0 332.404 0.766 10 0 ECAERN Cc1nnc2n1CCN(C1CN(C(=O)CCCn3cccc3)C1)C2 ZINC000328637214 437245000 /nfs/dbraw/zinc/24/50/00/437245000.db2.gz OLQNAMFTMZGZPY-UHFFFAOYSA-N 0 0 328.420 0.895 10 0 ECAERN Cc1nc2cc(NC(=O)C(=O)NC[C@H]3CN(C)CCO3)ccc2o1 ZINC000179728998 437273174 /nfs/dbraw/zinc/27/31/74/437273174.db2.gz HCPVDRSVGRHDED-LBPRGKRZSA-N 0 0 332.360 0.522 10 0 ECAERN C[C@@H](CNC(=O)N(C)Cc1ncc(Cl)n1C)N1CCOCC1 ZINC000180491691 437292731 /nfs/dbraw/zinc/29/27/31/437292731.db2.gz NCEGFVFCLDITNO-NSHDSACASA-N 0 0 329.832 0.936 10 0 ECAERN CC(C)c1nnc2n1C[C@@H](NC(=O)N1CCNC(=O)[C@H]1C(C)C)CC2 ZINC000181760370 437330187 /nfs/dbraw/zinc/33/01/87/437330187.db2.gz APAMEFVMOFXPTO-GXTWGEPZSA-N 0 0 348.451 0.882 10 0 ECAERN CCC(=O)N1CC[C@@H](NC(=O)N2CCN(C[C@@H](O)CC)CC2)C1 ZINC000181999902 437335597 /nfs/dbraw/zinc/33/55/97/437335597.db2.gz NJEMZKDOMPAZIM-KGLIPLIRSA-N 0 0 326.441 0.095 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)NCCCn2nc(C)cc2C)CC1 ZINC000184699323 437407649 /nfs/dbraw/zinc/40/76/49/437407649.db2.gz LJQMZHOSDBVMRV-INIZCTEOSA-N 0 0 337.468 0.988 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)N[C@H](C)CN2CCCC2=O)CC1 ZINC000184921128 437418080 /nfs/dbraw/zinc/41/80/80/437418080.db2.gz HXXHSFDNOPTSBV-KGLIPLIRSA-N 0 0 326.441 0.095 10 0 ECAERN COCC(=O)NC1CN(C[C@H](O)COc2c(C)ccc(C)c2C)C1 ZINC000185088417 437424905 /nfs/dbraw/zinc/42/49/05/437424905.db2.gz SYGYPQPCQUVIDV-INIZCTEOSA-N 0 0 336.432 0.798 10 0 ECAERN Cc1cc(NC(=O)CN2C[C@H](O)C[C@@H]2CO)n(-c2ccccc2F)n1 ZINC000185135579 437426861 /nfs/dbraw/zinc/42/68/61/437426861.db2.gz MAEHCAIYVFQVPB-CHWSQXEVSA-N 0 0 348.378 0.686 10 0 ECAERN CN(CCCOc1ccc(F)cc1)C(=O)CN1C[C@H](O)C[C@@H]1CO ZINC000185153680 437427109 /nfs/dbraw/zinc/42/71/09/437427109.db2.gz ICDAAGCCWULNRZ-HUUCEWRRSA-N 0 0 340.395 0.481 10 0 ECAERN CN(CCCOc1ccc(F)cc1)C(=O)CN1C[C@@H](O)C[C@@H]1CO ZINC000185153701 437428313 /nfs/dbraw/zinc/42/83/13/437428313.db2.gz ICDAAGCCWULNRZ-CABCVRRESA-N 0 0 340.395 0.481 10 0 ECAERN CCOc1cc(C)nc(N2CCN(C(=O)Cc3ccn(C)n3)CC2)n1 ZINC000183429871 437383587 /nfs/dbraw/zinc/38/35/87/437383587.db2.gz VRQBIPHZKKXEMV-UHFFFAOYSA-N 0 0 344.419 0.809 10 0 ECAERN Cc1noc([C@H]2COCCN2C(=O)CNC(=O)c2ccccc2)n1 ZINC000183765073 437390292 /nfs/dbraw/zinc/39/02/92/437390292.db2.gz NYKPVQNRIFFCED-CYBMUJFWSA-N 0 0 330.344 0.708 10 0 ECAERN CC[C@H]1CN(C(=O)Cc2nnc(NC)s2)CC[N@@H+]1C[C@@H](C)O ZINC000183804037 437390335 /nfs/dbraw/zinc/39/03/35/437390335.db2.gz KTBQSGLSZWUNJP-MNOVXSKESA-N 0 0 327.454 0.426 10 0 ECAERN COCC(=O)NC1CN(C(=O)CCc2nnc(C3CCCC3)o2)C1 ZINC000185255314 437432110 /nfs/dbraw/zinc/43/21/10/437432110.db2.gz PAGYPJNCXRTCSU-UHFFFAOYSA-N 0 0 336.392 0.633 10 0 ECAERN COCCN1CCN(C(=O)C(=O)N2CCc3c2cccc3F)C[C@@H]1C ZINC000185664720 437447114 /nfs/dbraw/zinc/44/71/14/437447114.db2.gz LIKHCFJQANAUOK-ZDUSSCGKSA-N 0 0 349.406 0.894 10 0 ECAERN C[C@@H](CNC(=O)N1CCC(Cn2cncn2)CC1)N1CCOCC1 ZINC000186165415 437463268 /nfs/dbraw/zinc/46/32/68/437463268.db2.gz NGTUYIKDLLOTAM-AWEZNQCLSA-N 0 0 336.440 0.420 10 0 ECAERN COCC(=O)NC1CN(C(=O)NCCc2cn3ccccc3n2)C1 ZINC000188289060 437539786 /nfs/dbraw/zinc/53/97/86/437539786.db2.gz UUNPNWRHQMERIX-UHFFFAOYSA-N 0 0 331.376 0.033 10 0 ECAERN C[C@@H](c1nnnn1C)N1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000189213272 437588022 /nfs/dbraw/zinc/58/80/22/437588022.db2.gz AYOZQIUZPWUOPS-LSDHHAIUSA-N 0 0 346.435 0.329 10 0 ECAERN CCc1cnc(NC(=O)C(=O)N2CCO[C@H](Cn3cccn3)C2)s1 ZINC000190597773 437634382 /nfs/dbraw/zinc/63/43/82/437634382.db2.gz MYIJNIVHAUWXSR-NSHDSACASA-N 0 0 349.416 0.768 10 0 ECAERN O=C(Nc1ccnn1Cc1ccc(F)cc1)C(=O)N1CCC[C@@H]1CO ZINC000192077591 437665319 /nfs/dbraw/zinc/66/53/19/437665319.db2.gz UTJMWEZVSIGYRR-CQSZACIVSA-N 0 0 346.362 0.992 10 0 ECAERN CC1=C(C(=O)NC[C@H](C)N2CCOCC2)[C@H](C)n2ncnc2N1C ZINC000192154676 437669477 /nfs/dbraw/zinc/66/94/77/437669477.db2.gz LJPXYMRCLBAWPP-AAEUAGOBSA-N 0 0 334.424 0.400 10 0 ECAERN CCCc1csc(NC(=O)C(=O)NC[C@@H](C)N2CCOCC2)n1 ZINC000192561762 437682077 /nfs/dbraw/zinc/68/20/77/437682077.db2.gz HTCHHJOFVPSCCN-LLVKDONJSA-N 0 0 340.449 0.871 10 0 ECAERN C[C@@H](C(=O)NC[C@@H](O)CN1CCOCC1)n1cnc2ccccc21 ZINC000193130891 437702581 /nfs/dbraw/zinc/70/25/81/437702581.db2.gz SVEUHVUMBIGVDS-UONOGXRCSA-N 0 0 332.404 0.407 10 0 ECAERN CCCCOC[C@H](O)CN1CCN([C@@H](C)C(=O)NC2CC2)CC1 ZINC000193368204 437708808 /nfs/dbraw/zinc/70/88/08/437708808.db2.gz RJRKPVMLDDTKNQ-GOEBONIOSA-N 0 0 327.469 0.449 10 0 ECAERN CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(Cc2cc(=O)n3[n-]ccc3n2)C1 ZINC000348019341 438000396 /nfs/dbraw/zinc/00/03/96/438000396.db2.gz BJPLTWWNGZOGTQ-GJZGRUSLSA-N 0 0 331.420 0.708 10 0 ECAERN Cn1cc([C@]2(C)CN(S(=O)(=O)C[C@H]3CCOC3)CCO2)cn1 ZINC000378159996 438356921 /nfs/dbraw/zinc/35/69/21/438356921.db2.gz LGCLCEVNRKOUFM-JSGCOSHPSA-N 0 0 329.422 0.334 10 0 ECAERN CCCC(=O)N1CSC[C@@H]1C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000369688394 438506806 /nfs/dbraw/zinc/50/68/06/438506806.db2.gz NOZSTTIPWFVCRJ-ZIAGYGMSSA-N 0 0 341.477 0.621 10 0 ECAERN O=C(N[C@@H]1CCNC1=O)c1csc(I)c1 ZINC000597853840 439193998 /nfs/dbraw/zinc/19/39/98/439193998.db2.gz CBHNJYHFSHDHBD-ZCFIWIBFSA-N 0 0 336.154 0.971 10 0 ECAERN COCCC1(C(=O)N2C[C@H](C(N)=O)[C@@H](c3cnn(C)c3C)C2)CC1 ZINC000527582979 439296733 /nfs/dbraw/zinc/29/67/33/439296733.db2.gz TUODRQVRJDSFKP-KGLIPLIRSA-N 0 0 334.420 0.573 10 0 ECAERN CC(=O)N1C[C@H](NC(=O)CN2CCCC2=O)CC[C@H]1C(F)(F)F ZINC000583619976 439487628 /nfs/dbraw/zinc/48/76/28/439487628.db2.gz DFSQQQGRPPIVJD-MNOVXSKESA-N 0 0 335.326 0.667 10 0 ECAERN Cn1nccc1CCC(=O)N[C@@H]1CC(=O)N(C)[C@H]1c1cccnc1 ZINC000583619476 439487878 /nfs/dbraw/zinc/48/78/78/439487878.db2.gz IZOKDDKEJJAFQD-PBHICJAKSA-N 0 0 327.388 0.836 10 0 ECAERN CN1C(=O)C[C@@H](NC(=O)c2ccc(=O)n(C)c2)[C@@H]1c1cccnc1 ZINC000583621006 439488219 /nfs/dbraw/zinc/48/82/19/439488219.db2.gz HUXGDDNIGQZOIT-CJNGLKHVSA-N 0 0 326.356 0.482 10 0 ECAERN C[NH+]1CCN([C@H]2C[C@H](C(=O)[O-])CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000536960510 439541186 /nfs/dbraw/zinc/54/11/86/439541186.db2.gz VVWDHXQYWKHHHR-STQMWFEESA-N 0 0 327.425 0.944 10 0 ECAERN CC(=O)c1ccc(-c2cnc(N)c(C(=O)NC[C@@H](O)CO)n2)s1 ZINC000584662109 439606324 /nfs/dbraw/zinc/60/63/24/439606324.db2.gz QCDNMINCFSEGHT-MRVPVSSYSA-N 0 0 336.373 0.073 10 0 ECAERN CCN1CCO[C@@H](CNC(=O)c2nccc(C)n2)[C@@H]1c1cnn(C)c1 ZINC000618145130 440058570 /nfs/dbraw/zinc/05/85/70/440058570.db2.gz BGSMMLJTTJGDBV-GJZGRUSLSA-N 0 0 344.419 0.710 10 0 ECAERN COC[C@@]1(C(N)=O)CCCN1C(=O)c1ccc2c(c1)CCC(=O)N2C ZINC000643940532 440383950 /nfs/dbraw/zinc/38/39/50/440383950.db2.gz KJTCBDIZSNJJDM-GOSISDBHSA-N 0 0 345.399 0.702 10 0 ECAERN O=C(CN1CCCC[C@@H](O)C1=O)NCCc1cn2ccccc2n1 ZINC000644293377 440509279 /nfs/dbraw/zinc/50/92/79/440509279.db2.gz FLHFAYNQMYFDRD-CQSZACIVSA-N 0 0 330.388 0.366 10 0 ECAERN CN(C[C@@H]1CN(C)CCO1)C(=O)c1ccccc1Cn1ccnn1 ZINC000633914007 440574861 /nfs/dbraw/zinc/57/48/61/440574861.db2.gz FHECVZONUNETFX-HNNXBMFYSA-N 0 0 329.404 0.729 10 0 ECAERN CCn1ccnc1[C@@H]1OCC[C@H]1CNS(=O)(=O)c1cnn(C)c1 ZINC000657147529 440974211 /nfs/dbraw/zinc/97/42/11/440974211.db2.gz PMYQANGODLQALU-WCQYABFASA-N 0 0 339.421 0.693 10 0 ECAERN O=C(Cc1cnn2c1CCCC2)N1CCO[C@H](Cn2cccn2)C1 ZINC000631236282 441029049 /nfs/dbraw/zinc/02/90/49/441029049.db2.gz NALIGAVVTFIAMG-HNNXBMFYSA-N 0 0 329.404 0.886 10 0 ECAERN CN(C[C@H](O)COCc1ccccc1)C(=O)[C@H]1CCN(C)C(=O)C1 ZINC000176566991 320520127 /nfs/dbraw/zinc/52/01/27/320520127.db2.gz ATGWMNLGCDIILE-HOTGVXAUSA-N 0 0 334.416 0.891 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)NCCc2c(C)nn(C)c2C)CC1 ZINC000184872309 320535178 /nfs/dbraw/zinc/53/51/78/320535178.db2.gz FVRFXRWIWYUIPW-HNNXBMFYSA-N 0 0 337.468 0.678 10 0 ECAERN Cn1c(Cc2ccccn2)nnc1N1CC[C@@H](N2CCOCC2)C1 ZINC000328706671 320728319 /nfs/dbraw/zinc/72/83/19/320728319.db2.gz LOQTVDLHHPMOMA-OAHLLOKOSA-N 0 0 328.420 0.712 10 0 ECAERN C[C@H](C(=O)N1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1)N1CCOCC1 ZINC000329029803 320749164 /nfs/dbraw/zinc/74/91/64/320749164.db2.gz PFZCFATYYRXWGP-YCPHGPKFSA-N 0 0 335.448 0.709 10 0 ECAERN Cn1cnc2cc(C(=O)N3CCOC[C@@H]3[C@H]3CCC[C@H]3O)cnc21 ZINC000329076520 320751549 /nfs/dbraw/zinc/75/15/49/320751549.db2.gz CGYVSIPHVMQWKI-BPLDGKMQSA-N 0 0 330.388 0.970 10 0 ECAERN CCN1CCN(CC(=O)N2C[C@@]3(CCCO3)[C@H]2C(C)C)C(=O)C1=O ZINC000329324950 320766619 /nfs/dbraw/zinc/76/66/19/320766619.db2.gz IMMOGHYIQANZCS-PBHICJAKSA-N 0 0 337.420 0.093 10 0 ECAERN Cn1cc(N2CCN(C(=O)C[C@@H]3CCCCNC3=O)CC2=O)cn1 ZINC000329512511 320776250 /nfs/dbraw/zinc/77/62/50/320776250.db2.gz CHNHMXIHBMNWJE-LBPRGKRZSA-N 0 0 333.392 0.742 10 0 ECAERN O=C(c1ncccc1OCC(F)F)N1CCN2CCOC[C@@H]2C1 ZINC000329659639 320783667 /nfs/dbraw/zinc/78/36/67/320783667.db2.gz HWKVUSYUYFEGSU-NSHDSACASA-N 0 0 327.331 0.882 10 0 ECAERN C[C@@H]1[C@H](N2CCOCC2)CCN1C(=O)c1ccc(-n2cncn2)nc1 ZINC000329730057 320786966 /nfs/dbraw/zinc/78/69/66/320786966.db2.gz PKLGMBHUUSNJAP-UKRRQHHQSA-N 0 0 342.403 0.598 10 0 ECAERN C[C@@H]1[C@H](N2CCOCC2)CCN1C(=O)[C@@H]1CCO[C@H]1c1nccn1C ZINC000329740933 320787510 /nfs/dbraw/zinc/78/75/10/320787510.db2.gz VQEAFVOAGHMNID-KLHDSHLOSA-N 0 0 348.447 0.819 10 0 ECAERN CO[C@H]1C[C@H](C(=O)N2CCC(Cc3nccn3C)CC2)N(C(C)=O)C1 ZINC000329884089 320793613 /nfs/dbraw/zinc/79/36/13/320793613.db2.gz RXVNIMOQYRDXNV-JKSUJKDBSA-N 0 0 348.447 0.837 10 0 ECAERN O=C([C@H]1CC(=O)N(c2cn[nH]c2)C1)N1CCC[C@@H](n2cncn2)C1 ZINC000330079200 320803234 /nfs/dbraw/zinc/80/32/34/320803234.db2.gz OCPOVMOXCMVOBH-NWDGAFQWSA-N 0 0 329.364 0.218 10 0 ECAERN C[C@H]1CCN(C(=O)Cn2ncc(=O)c3ccccc32)CCS1(=O)=O ZINC000330275802 320814208 /nfs/dbraw/zinc/81/42/08/320814208.db2.gz LZUAEBVQBALRRB-LBPRGKRZSA-N 0 0 349.412 0.432 10 0 ECAERN Cc1cc(N2CCC[C@H](NC(=O)N(CCO)C3CC3)C2=O)n(C)n1 ZINC000173570481 533895341 /nfs/dbraw/zinc/89/53/41/533895341.db2.gz BLWDNHYOAJTACT-ZDUSSCGKSA-N 0 0 335.408 0.390 10 0 ECAERN C[C@@H](CNC(=O)N1CCC(Nc2cccnn2)CC1)N1CCOCC1 ZINC000153468040 533917628 /nfs/dbraw/zinc/91/76/28/533917628.db2.gz QYJGFXYNVUWLQP-AWEZNQCLSA-N 0 0 348.451 0.783 10 0 ECAERN Cc1cc(NC(=O)C(=O)N2CC(NC(=O)C3CC3)C2)cnc1Cl ZINC000187977239 533923047 /nfs/dbraw/zinc/92/30/47/533923047.db2.gz DSABCJGZDJSYBL-UHFFFAOYSA-N 0 0 336.779 0.719 10 0 ECAERN C[C@@H]1CN(C(=O)C(=O)NCc2ccc(F)cc2)C[C@H]1N1CCOCC1 ZINC000173965768 534293866 /nfs/dbraw/zinc/29/38/66/534293866.db2.gz ZEWSVCHBDREZEE-CZUORRHYSA-N 0 0 349.406 0.621 10 0 ECAERN O=C(CCC(=O)c1cccs1)NC[C@@H](O)CN1CCOCC1 ZINC000154104894 534318703 /nfs/dbraw/zinc/31/87/03/534318703.db2.gz OILZAVFDWIAHSX-GFCCVEGCSA-N 0 0 326.418 0.520 10 0 ECAERN O=C(NCCNC(=O)c1ccc(F)cc1)N[C@@H]1CCc2ncnn2C1 ZINC000171869279 534351459 /nfs/dbraw/zinc/35/14/59/534351459.db2.gz WZPSWPYXCKVXAO-CYBMUJFWSA-N 0 0 346.366 0.461 10 0 ECAERN Cc1cn(-c2ccccc2)nc1C(=O)NC[C@H](O)CN1CCOCC1 ZINC000184350851 534493866 /nfs/dbraw/zinc/49/38/66/534493866.db2.gz FBQGQLIUSXGBIW-INIZCTEOSA-N 0 0 344.415 0.604 10 0 ECAERN Cc1ncc(CN2CCN(C(=O)N[C@@H]3CCN(C)C3=O)CC2)s1 ZINC000163843697 534736389 /nfs/dbraw/zinc/73/63/89/534736389.db2.gz NNYWFAWNWKYHMC-CYBMUJFWSA-N 0 0 337.449 0.509 10 0 ECAERN CC(=O)NC1CN(C(=O)C(=O)Nc2ccnn2-c2ccccc2C)C1 ZINC000191340169 526705707 /nfs/dbraw/zinc/70/57/07/526705707.db2.gz SDAUAIHVSDDLSJ-UHFFFAOYSA-N 0 0 341.371 0.466 10 0 ECAERN CC(=O)NC1CN(C(=O)NCCNC(=O)c2ccc(C)c(F)c2)C1 ZINC000189767345 526707884 /nfs/dbraw/zinc/70/78/84/526707884.db2.gz GJHPTRKMKGKHRH-UHFFFAOYSA-N 0 0 336.367 0.394 10 0 ECAERN CC(=O)NC1CN(C(=O)N[C@H]2CCN(c3ccc(C)cc3)C2=O)C1 ZINC000190209935 526711568 /nfs/dbraw/zinc/71/15/68/526711568.db2.gz FTHSVYCRWGMNRF-HNNXBMFYSA-N 0 0 330.388 0.630 10 0 ECAERN NC(=O)[C@H]1CCCN1S(=O)(=O)Cc1cccc(C(N)=S)c1 ZINC000038005245 527004940 /nfs/dbraw/zinc/00/49/40/527004940.db2.gz BIPKUBDHTWSTNO-LLVKDONJSA-N 0 0 327.431 0.100 10 0 ECAERN CC(C)[C@H](NC(=O)C(=O)Nc1ccc(-c2cc[nH]n2)cc1)C(N)=O ZINC000189541570 529076319 /nfs/dbraw/zinc/07/63/19/529076319.db2.gz QRXVJLLRRHDHPL-ZDUSSCGKSA-N 0 0 329.360 0.641 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)Cn2cnc(-c3ccccc3)n2)CC1 ZINC000132979980 529226863 /nfs/dbraw/zinc/22/68/63/529226863.db2.gz FAZNIWZDXXBOFO-MRXNPFEDSA-N 0 0 343.431 0.860 10 0 ECAERN CC(=O)c1cccc(S(=O)(=O)N(C)C[C@@H]2CN(C)CCO2)c1 ZINC000074775129 545687154 /nfs/dbraw/zinc/68/71/54/545687154.db2.gz OMIHDVMPSPVQTM-AWEZNQCLSA-N 0 0 326.418 0.840 10 0 ECAERN COCCN1CCN([C@@H](C)C(=O)NC(=O)NCC(C)C)C[C@H]1C ZINC000105833274 545740503 /nfs/dbraw/zinc/74/05/03/545740503.db2.gz KZNIHQPAHPWKAG-KGLIPLIRSA-N 0 0 328.457 0.509 10 0 ECAERN C[C@H](NC(=O)C(=O)Nc1cnn(Cc2ccccn2)c1)[C@@H]1CCCO1 ZINC000178777538 545878459 /nfs/dbraw/zinc/87/84/59/545878459.db2.gz FJBAAYULGAFIKW-WFASDCNBSA-N 0 0 343.387 0.949 10 0 ECAERN CNC(=O)[C@H](NC(=O)N[C@@H]1CCN(C(=O)C2CCCC2)C1)C(C)C ZINC000178439704 545878824 /nfs/dbraw/zinc/87/88/24/545878824.db2.gz ZIUZOELECLZCAR-ZIAGYGMSSA-N 0 0 338.452 0.847 10 0 ECAERN Cc1nnc([C@@H]2CN(C(=O)[C@H]3[NH2+]CCc4ccccc43)CCO2)[nH]1 ZINC000178847323 545879649 /nfs/dbraw/zinc/87/96/49/545879649.db2.gz IUDNOAJJIKVLNU-GJZGRUSLSA-N 0 0 327.388 0.900 10 0 ECAERN Cc1c(NC(=O)NC[C@H](O)CN2CCOCC2)cccc1N(C)C ZINC000180176096 545883110 /nfs/dbraw/zinc/88/31/10/545883110.db2.gz GOZCWDFZHFVMLC-AWEZNQCLSA-N 0 0 336.436 0.876 10 0 ECAERN COCC(=O)NC1CN(S(=O)(=O)c2ccc(F)c(Cl)c2)C1 ZINC000187714147 545901163 /nfs/dbraw/zinc/90/11/63/545901163.db2.gz RDMHPISTXHFBPX-UHFFFAOYSA-N 0 0 336.772 0.615 10 0 ECAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000188760658 545903252 /nfs/dbraw/zinc/90/32/52/545903252.db2.gz XIDLPQJIPQGIAS-YYQUZTFQSA-N 0 0 332.400 0.957 10 0 ECAERN CCN1C2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)CS1(=O)=O ZINC000725256377 549729744 /nfs/dbraw/zinc/72/97/44/549729744.db2.gz IFFCYTNFWLGSHQ-UHFFFAOYSA-N 0 0 332.422 0.991 10 0 ECAERN [NH3+][C@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000014945920 571728530 /nfs/dbraw/zinc/72/85/30/571728530.db2.gz FBTYOQIYBULKEH-HIFRSBDPSA-N 0 0 341.371 0.573 10 0 endogenous,in-man ECAERN C[C@@H](O)C(=O)N1CCN(CC2CC(NC(=O)OC(C)(C)C)C2)CC1 ZINC000892125347 586223057 /nfs/dbraw/zinc/22/30/57/586223057.db2.gz TYNNOIHLGVYDSN-IYXRBSQSSA-N 0 0 341.452 0.815 10 0 ECAERN CN(Cc1c[nH]cn1)C(=O)[C@H]1CC[C@@H](C(N)=O)N1Cc1ccccc1 ZINC000888094891 586348775 /nfs/dbraw/zinc/34/87/75/586348775.db2.gz FKGRFQZWQSNPSZ-JKSUJKDBSA-N 0 0 341.415 0.887 10 0 ECAERN CNC(=O)c1nc(C2CCN(C(=O)[C@@H]3[C@@H](C)C3(F)F)CC2)n[nH]1 ZINC000888094205 586349176 /nfs/dbraw/zinc/34/91/76/586349176.db2.gz FMGAVVJWWOBMTO-APPZFPTMSA-N 0 0 327.335 0.772 10 0 ECAERN Cc1cc(C)n(CC(=O)N[C@H]2CCC[C@H]2Oc2cnn(C)c2)c(=O)n1 ZINC000888095156 586349676 /nfs/dbraw/zinc/34/96/76/586349676.db2.gz SCMJBBFRKXXDMH-LSDHHAIUSA-N 0 0 345.403 0.710 10 0 ECAERN CNC(=O)[C@@H]1CC(=O)N(C2CN(C(=O)c3cccc(C(C)C)n3)C2)C1 ZINC000888098248 586349844 /nfs/dbraw/zinc/34/98/44/586349844.db2.gz IYAMOOXPANWMQY-GFCCVEGCSA-N 0 0 344.415 0.624 10 0 ECAERN Cc1nn(C)cc1C(=O)N[C@@H]1CCCC[C@@H]1Cc1nn(C)c(=O)n1C ZINC000888098331 586350120 /nfs/dbraw/zinc/35/01/20/586350120.db2.gz GAAZGJPYOVUTCC-TZMCWYRMSA-N 0 0 346.435 0.692 10 0 ECAERN CNC(=O)[C@@H]1CC(=O)N(C2CN(C(=O)CC3(C(F)(F)F)CC3)C2)C1 ZINC000888098584 586350130 /nfs/dbraw/zinc/35/01/30/586350130.db2.gz POWKUARJBAJKIU-SECBINFHSA-N 0 0 347.337 0.524 10 0 ECAERN CNC(=O)[C@@H]1Cn2c(C)nnc2CN1C(=O)c1cc[nH]c1C1CC1 ZINC000888103410 586350825 /nfs/dbraw/zinc/35/08/25/586350825.db2.gz YTNLOIWKBCBCMM-LBPRGKRZSA-N 0 0 328.376 0.563 10 0 ECAERN CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(C(=O)CN2C(=O)CN(C)C2=O)C1 ZINC000888103055 586350841 /nfs/dbraw/zinc/35/08/41/586350841.db2.gz CQFKUMZWHCXHLE-NEPJUHHUSA-N 0 0 349.391 0.209 10 0 ECAERN COCCN1CCN(C(=O)CCN2C(=O)C(C)=C(C)C2=O)C[C@@H]1C ZINC000900743185 586661581 /nfs/dbraw/zinc/66/15/81/586661581.db2.gz BCYDUFAXFCVRSD-LBPRGKRZSA-N 0 0 337.420 0.261 10 0 ECAERN Cn1cc([C@H]2CCCN(C(=O)C3CN(S(C)(=O)=O)C3)C2)cn1 ZINC000907495085 586724042 /nfs/dbraw/zinc/72/40/42/586724042.db2.gz AOOTYHFDXWJBLB-NSHDSACASA-N 0 0 326.422 0.018 10 0 ECAERN Cc1nnc2n1C[C@@H](C(N)=O)N(C(=O)CCc1cccc(F)c1F)C2 ZINC000818348420 587424250 /nfs/dbraw/zinc/42/42/50/587424250.db2.gz CIRNPCUVLZQYTI-LBPRGKRZSA-N 0 0 349.341 0.694 10 0 ECAERN NC(=O)c1cc(N2CCCCC2)ccc1NC(=O)[C@H]1CNC(=O)C1 ZINC000121590385 589173535 /nfs/dbraw/zinc/17/35/35/589173535.db2.gz ZPRVETFYUNOFIE-LLVKDONJSA-N 0 0 330.388 0.850 10 0 ECAERN Cn1cc(O[C@@H]2COC[C@@H]2NC(=O)Cc2ccccc2CO)cn1 ZINC000862923170 589974366 /nfs/dbraw/zinc/97/43/66/589974366.db2.gz NPIDQYYHDQRUSC-JKSUJKDBSA-N 0 0 331.372 0.418 10 0 ECAERN CCn1nccc1CN1CC(N2C[C@@H](c3nc(C)no3)CC2=O)C1 ZINC000864309949 590068423 /nfs/dbraw/zinc/06/84/23/590068423.db2.gz ASAONXIFWIEKKZ-LBPRGKRZSA-N 0 0 330.392 0.795 10 0 ECAERN CC[C@@]1(c2cnn(C)c2)NC(=O)N(CN2CCC([C@H](C)O)CC2)C1=O ZINC000124198041 590139985 /nfs/dbraw/zinc/13/99/85/590139985.db2.gz LIWHAJKAWPEPPQ-SJCJKPOMSA-N 0 0 349.435 0.628 10 0 ECAERN COCCS(=O)(=O)N[C@@H]1CC[C@@H](C(F)(F)F)N(C(C)=O)C1 ZINC000886039142 590788261 /nfs/dbraw/zinc/78/82/61/590788261.db2.gz KFTUSRQXXYSOBV-ZJUUUORDSA-N 0 0 332.344 0.494 10 0 ECAERN COc1ncc(Cl)c(N2CCC[C@](O)(Cc3nncn3C)C2)n1 ZINC000886065734 590789630 /nfs/dbraw/zinc/78/96/30/590789630.db2.gz SFARWTIFSTYRLF-AWEZNQCLSA-N 0 0 338.799 0.841 10 0 ECAERN Cn1cnnc1C[C@]1(O)CCCN(c2nnnn2-c2ccccc2)C1 ZINC000886065516 590790032 /nfs/dbraw/zinc/79/00/32/590790032.db2.gz HQRWFCSANASPSW-MRXNPFEDSA-N 0 0 340.391 0.365 10 0 ECAERN Cn1cnnc1C[C@]1(O)CCCN(c2ccnc3c2cnn3C)C1 ZINC000886065497 590790130 /nfs/dbraw/zinc/79/01/30/590790130.db2.gz HCBAQPSHIFGZGU-MRXNPFEDSA-N 0 0 327.392 0.671 10 0 ECAERN COCc1cc(CNC[C@@H]2OCCN(C)[C@H]2c2ccnn2C)no1 ZINC000886074694 590790584 /nfs/dbraw/zinc/79/05/84/590790584.db2.gz OQJOMCYYYGRNIJ-HOTGVXAUSA-N 0 0 335.408 0.716 10 0 ECAERN CN(C)c1cc[nH+]cc1C(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC000886077532 590790674 /nfs/dbraw/zinc/79/06/74/590790674.db2.gz GIGHXWHYSWIVBR-KRWDZBQOSA-N 0 0 348.403 0.149 10 0 ECAERN CCN1CCO[C@@H](CNC(=O)Cc2ccnn2C)[C@@H]1c1nccn1C ZINC000886079260 590791616 /nfs/dbraw/zinc/79/16/16/590791616.db2.gz DMAJERWCKACBOD-GOEBONIOSA-N 0 0 346.435 0.274 10 0 ECAERN NC(=O)[C@]1(N2CCN(C(=O)CC3CC(F)(F)C3)CC2)CCOC1 ZINC000886077631 590791643 /nfs/dbraw/zinc/79/16/43/590791643.db2.gz MSSISQWKANSYOA-AWEZNQCLSA-N 0 0 331.363 0.210 10 0 ECAERN Cn1ccnc1[C@H]1[C@H](NC(=O)c2ccncn2)CCC(=O)N1C1CC1 ZINC000886084775 590792507 /nfs/dbraw/zinc/79/25/07/590792507.db2.gz GSYYTZIZPAPCMT-IUODEOHRSA-N 0 0 340.387 0.835 10 0 ECAERN O=C([O-])[C@@]1([NH+]2CCN(c3cc(N4CCCC4)ncn3)CC2)CCOC1 ZINC000886094698 590794589 /nfs/dbraw/zinc/79/45/89/590794589.db2.gz CBUJCGQZVLGOFT-QGZVFWFLSA-N 0 0 347.419 0.443 10 0 ECAERN O=C(N[C@@H]1C[C@@H](O)C12CCOCC2)c1cncc(N2CCCC2)n1 ZINC000886987757 590912820 /nfs/dbraw/zinc/91/28/20/590912820.db2.gz COIPLTKOYAMCKW-ZIAGYGMSSA-N 0 0 332.404 0.737 10 0 ECAERN CN1CCN(C[C@@H]2CCCS2(=O)=O)C[C@H]1c1nc(C2CC2)no1 ZINC000930392588 611418816 /nfs/dbraw/zinc/41/88/16/611418816.db2.gz HSMYHXZTXTYOPE-STQMWFEESA-N 0 0 340.449 0.813 10 0 ECAERN Cc1csc([C@H](OC(=O)c2cn(CC(N)=O)nn2)C(F)(F)F)n1 ZINC000176011254 608743681 /nfs/dbraw/zinc/74/36/81/608743681.db2.gz UCZXFYHYGWCGJE-QMMMGPOBSA-N 0 0 349.294 0.989 10 0 ECAERN CCCn1cc(NC(=O)C(=O)N2CCC[C@H](n3cncn3)C2)cn1 ZINC000157957104 608756392 /nfs/dbraw/zinc/75/63/92/608756392.db2.gz AMAIBNCEZQGNOF-ZDUSSCGKSA-N 0 0 331.380 0.687 10 0 ECAERN O=C(N1CCN(C[C@H](O)c2ccccc2)CC1)[C@]1(O)CCSC1 ZINC000179751766 608923188 /nfs/dbraw/zinc/92/31/88/608923188.db2.gz HUOJLIVWPYLNOK-RDJZCZTQSA-N 0 0 336.457 0.732 10 0 ECAERN CC(=O)N1Cc2cccnc2[C@@H](C(=O)NCCCN2CCOCC2)C1 ZINC000222655026 609103651 /nfs/dbraw/zinc/10/36/51/609103651.db2.gz USWBKLKTJLTOHU-INIZCTEOSA-N 0 0 346.431 0.366 10 0 ECAERN C[C@@H]1CN(CN2CC[C@@](C)(c3ccccc3)C2=O)C[C@H](C(N)=O)O1 ZINC000188703412 609129083 /nfs/dbraw/zinc/12/90/83/609129083.db2.gz UTFJSEWLKMMYDB-SIIHOXLZSA-N 0 0 331.416 0.709 10 0 ECAERN Cc1cc(C(F)(F)F)nn1CC(=O)N[C@@H]1C[C@@H](O)[C@@H]1n1cccn1 ZINC000909188421 609680808 /nfs/dbraw/zinc/68/08/08/609680808.db2.gz WFCCSIHIIVIKSI-GIPNMCIBSA-N 0 0 343.309 0.898 10 0 ECAERN O=C(N[C@@H]1C[C@H](O)[C@H]1n1cccn1)[C@]1(O)CCc2ccccc2C1 ZINC000909181312 609681301 /nfs/dbraw/zinc/68/13/01/609681301.db2.gz LXIZCLCGCFSQKF-CVYDXHPNSA-N 0 0 327.384 0.594 10 0 ECAERN Cc1c(CC(=O)Nc2ccc3c(c2)C(=O)N(C)C3)ncn(C)c1=O ZINC000222942813 609706481 /nfs/dbraw/zinc/70/64/81/609706481.db2.gz YRGVCPPPEOIHSN-UHFFFAOYSA-N 0 0 326.356 0.856 10 0 ECAERN CN(C)C(=O)CCNC(=O)COCC(=O)N1CCc2ccccc2C1 ZINC000223296316 609709271 /nfs/dbraw/zinc/70/92/71/609709271.db2.gz DWLANRWIDIGAPP-UHFFFAOYSA-N 0 0 347.415 0.182 10 0 ECAERN C[C@@H](O)CNS(=O)(=O)c1ccc2c(c1)C(C)(C)CC(=O)N2C ZINC000223691462 609713417 /nfs/dbraw/zinc/71/34/17/609713417.db2.gz ZMJRIKNMXLKARB-SNVBAGLBSA-N 0 0 326.418 0.990 10 0 ECAERN Cc1nc(NCCN2CCOCC2)c2c(n1)N[C@H](C(C)C)C(=O)N2 ZINC000224030195 609716768 /nfs/dbraw/zinc/71/67/68/609716768.db2.gz UQJMMAVPFYHESF-GFCCVEGCSA-N 0 0 334.424 0.918 10 0 ECAERN Cc1nc(NCCN2CCOCC2)c2c(n1)N[C@@H](C(C)C)C(=O)N2 ZINC000224030135 609716983 /nfs/dbraw/zinc/71/69/83/609716983.db2.gz UQJMMAVPFYHESF-LBPRGKRZSA-N 0 0 334.424 0.918 10 0 ECAERN COCC(=O)N1C[C@@H](C(=O)NCc2ccncc2)C2(C1)CCOCC2 ZINC000169756493 609745160 /nfs/dbraw/zinc/74/51/60/609745160.db2.gz LVCUCQRPSUEWAI-HNNXBMFYSA-N 0 0 347.415 0.599 10 0 ECAERN CCOC(=O)N1CCC(NC(=O)C(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000170332441 609750058 /nfs/dbraw/zinc/75/00/58/609750058.db2.gz WLJCTLNFULCCFH-VXGBXAGGSA-N 0 0 341.408 0.359 10 0 ECAERN CC(C)Nc1ncnc2c1ncn2CN(C)[C@@H]1CCS(=O)(=O)C1 ZINC000170902349 609754164 /nfs/dbraw/zinc/75/41/64/609754164.db2.gz AUEDCASZDDZNJS-LLVKDONJSA-N 0 0 338.437 0.723 10 0 ECAERN Cc1cc(C)n(C[C@H]2CN(CC(=O)N3CCO[C@H](C)C3)CCO2)n1 ZINC000171609954 609762579 /nfs/dbraw/zinc/76/25/79/609762579.db2.gz JEPYNAPUZVFQCT-HZPDHXFCSA-N 0 0 336.436 0.448 10 0 ECAERN Cc1cnn([C@@H]2CCCN(CN3C(=O)NC4(CCOCC4)C3=O)C2)c1 ZINC000152958740 609887876 /nfs/dbraw/zinc/88/78/76/609887876.db2.gz MKAGCJGDOIYWHO-CQSZACIVSA-N 0 0 347.419 0.887 10 0 ECAERN Cc1nc(N2CCN(C(=O)C3C[C@H]4CSC[C@@H](C3)C4=O)CC2)n[nH]1 ZINC000911831510 609914360 /nfs/dbraw/zinc/91/43/60/609914360.db2.gz HUXSFVRZGZWUGG-YHWZYXNKSA-N 0 0 349.460 0.720 10 0 ECAERN COc1ccccc1N1C[C@@H](C(=O)N2CCOC[C@@H]2CO)CC1=O ZINC000912428973 609955104 /nfs/dbraw/zinc/95/51/04/609955104.db2.gz YOBRHOSALKAIOC-STQMWFEESA-N 0 0 334.372 0.268 10 0 ECAERN CC1(C)CC(=O)c2cc(C(=O)N3CCOC[C@@H]3CO)c(=O)[nH]c2C1 ZINC000912421722 609957317 /nfs/dbraw/zinc/95/73/17/609957317.db2.gz JUGOILTUAMIXKV-JTQLQIEISA-N 0 0 334.372 0.776 10 0 ECAERN NS(=O)(=O)N1CCC[C@H](C(=O)N2CCC[C@H]2C(F)(F)F)C1 ZINC000913018753 610030868 /nfs/dbraw/zinc/03/08/68/610030868.db2.gz ORMNFBGVIRZZDK-IUCAKERBSA-N 0 0 329.344 0.455 10 0 ECAERN O=C(NC[C@]1(CO)COCCN1)[C@H]1C[C@@]12CCOc1ccccc12 ZINC000913186595 610048265 /nfs/dbraw/zinc/04/82/65/610048265.db2.gz JRLXIYXHLOYMCO-FHLIZLRMSA-N 0 0 332.400 0.194 10 0 ECAERN O=C(N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cn1 ZINC000183659399 610591522 /nfs/dbraw/zinc/59/15/22/610591522.db2.gz VFHNURLVYYVBQF-UONOGXRCSA-N 0 0 335.291 0.953 10 0 ECAERN Cn1cc(CN2CCCN(C(=O)NCCc3ccnn3C)CC2)cn1 ZINC000185010502 610970273 /nfs/dbraw/zinc/97/02/73/610970273.db2.gz BSBNZPLMBXBAGA-UHFFFAOYSA-N 0 0 345.451 0.614 10 0 ECAERN CC(=O)N[C@@H]1CCCN(C(=O)C2=C(C)N(C)c3ncnn3[C@H]2C)C1 ZINC000192166063 611923663 /nfs/dbraw/zinc/92/36/63/611923663.db2.gz GHIDLCBLQWSOQI-WCQYABFASA-N 0 0 332.408 0.690 10 0 ECAERN C[C@H](NC(=O)CN1CCC(=O)NC1=O)c1cccc(-n2ccnc2)c1 ZINC000173914996 231068582 /nfs/dbraw/zinc/06/85/82/231068582.db2.gz BXTDJGIBHWQBKV-LBPRGKRZSA-N 0 0 341.371 0.991 10 0 ECAERN Cc1cc(C)n(CC(=O)N[C@@H]2CCCN(c3cc(C)nn3C)C2=O)n1 ZINC000175008786 231365688 /nfs/dbraw/zinc/36/56/88/231365688.db2.gz VSPIFCYEGHVWDP-CQSZACIVSA-N 0 0 344.419 0.854 10 0 ECAERN CNC(=O)Cn1cc(NC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)cn1 ZINC000179458940 529876581 /nfs/dbraw/zinc/87/65/81/529876581.db2.gz JAUNBCLDJVTOED-BLLLJJGKSA-N 0 0 335.408 0.788 10 0 ECAERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(-c2cc[nH]n2)cc1 ZINC000181914070 529901727 /nfs/dbraw/zinc/90/17/27/529901727.db2.gz KCLAIMKYOLBVRX-AWEZNQCLSA-N 0 0 341.371 0.752 10 0 ECAERN CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1cc(C2CCCC2)nn1C ZINC000183134946 529923143 /nfs/dbraw/zinc/92/31/43/529923143.db2.gz YSERIIJGEPWLJO-CYBMUJFWSA-N 0 0 347.419 0.753 10 0 ECAERN C[N@@H+](CC(=O)[O-])C[C@H]1CN(C(=O)N[C@@H]2CC3CCC2CC3)CCO1 ZINC000263357559 282360451 /nfs/dbraw/zinc/36/04/51/282360451.db2.gz JKKVTUYHGHLLEV-PFSRBDOWSA-N 0 0 339.436 0.992 10 0 ECAERN C[C@@H]1CN([C@@H](CNC(=O)[C@H]2CCC(=O)N2)c2cccs2)CCO1 ZINC000177979146 232048712 /nfs/dbraw/zinc/04/87/12/232048712.db2.gz ZXMOVEWOKDCRSQ-UPJWGTAASA-N 0 0 337.445 0.905 10 0 ECAERN Cc1ccc([C@H](CNC(=O)[C@@H]2CCC(=O)N2)N2CCOCC2)s1 ZINC000177969624 232044991 /nfs/dbraw/zinc/04/49/91/232044991.db2.gz JPYPOJZDLHAMMV-STQMWFEESA-N 0 0 337.445 0.825 10 0 ECAERN COC[C@H](C)S(=O)(=O)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000178696780 232384833 /nfs/dbraw/zinc/38/48/33/232384833.db2.gz GZRNBLVCOHPVAB-HOCLYGCPSA-N 0 0 342.461 0.702 10 0 ECAERN C[C@H](NC(=O)c1cc(CN2CCc3ccccc3C2)on1)C(N)=O ZINC000067867246 215235032 /nfs/dbraw/zinc/23/50/32/215235032.db2.gz VXBDBWXSYCJAMB-NSHDSACASA-N 0 0 328.372 0.837 10 0 ECAERN COCCCNC(=O)[C@H](C)N1CCN(C(=O)N[C@@H](C)C(C)C)CC1 ZINC000103507591 219309086 /nfs/dbraw/zinc/30/90/86/219309086.db2.gz KQTGOBHIWKJYJH-GJZGRUSLSA-N 0 0 342.484 0.899 10 0 ECAERN Cc1ccc(S(=O)(=O)NNc2ncnc(-n3ccnc3)c2N)cc1 ZINC000040794830 213387194 /nfs/dbraw/zinc/38/71/94/213387194.db2.gz XJAZTZUWTSYVNI-UHFFFAOYSA-N 0 0 345.388 0.858 10 0 ECAERN O=C(NCCNC(=O)c1ccn[nH]1)N[C@@H]1CCOc2ccccc21 ZINC000181003327 234057649 /nfs/dbraw/zinc/05/76/49/234057649.db2.gz GXEABDABRGHHTJ-GFCCVEGCSA-N 0 0 329.360 0.963 10 0 ECAERN COCC(=O)NCc1nc2ccccc2n1CC(=O)N1CCOCC1 ZINC000040275585 213287265 /nfs/dbraw/zinc/28/72/65/213287265.db2.gz JRMYJOUDELOLPR-UHFFFAOYSA-N 0 0 346.387 0.158 10 0 ECAERN NC(=O)[C@@H]1COCCN1S(=O)(=O)Cc1ccc(F)c(Cl)c1 ZINC000183351474 235022171 /nfs/dbraw/zinc/02/21/71/235022171.db2.gz MNVBSTDCFWYMHU-NSHDSACASA-N 0 0 336.772 0.495 10 0 ECAERN Cn1nc(C(=O)N2CCO[C@H](Cn3cccn3)C2)cc1OC(F)F ZINC000185528233 235687747 /nfs/dbraw/zinc/68/77/47/235687747.db2.gz RCEHTSXTIBVMCR-JTQLQIEISA-N 0 0 341.318 0.759 10 0 ECAERN CS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)NCc2cn[nH]c2)c1 ZINC000038007100 213189170 /nfs/dbraw/zinc/18/91/70/213189170.db2.gz KPKORGAZUZAZSO-UHFFFAOYSA-N 0 0 349.821 0.945 10 0 ECAERN CN1CCCN(S(=O)(=O)Cc2cccc(C(N)=S)c2)CC1 ZINC000038005242 213187859 /nfs/dbraw/zinc/18/78/59/213187859.db2.gz VNQIIMTYTXVOFF-UHFFFAOYSA-N 0 0 327.475 0.788 10 0 ECAERN CC(=O)N[C@@H]1[C@H](O)[C@H](O)[C@@H](CO)O[C@H]1Oc1ccc2ccccc2c1 ZINC000000173198 209463227 /nfs/dbraw/zinc/46/32/27/209463227.db2.gz QKMSGRRTZKSWCS-HSFUPAIVSA-N 0 0 347.367 0.162 10 0 ECAERN COC(=O)Cc1nn(-c2ccc(F)cc2)c2c1nnc1ncnn12 ZINC000072461536 216243931 /nfs/dbraw/zinc/24/39/31/216243931.db2.gz JZYHRSHFPUIYKL-UHFFFAOYSA-N 0 0 327.279 0.713 10 0 ECAERN COC(=O)Cc1nn(-c2ccc(OC)cc2)c2c1nnc1ncnn12 ZINC000072461543 216244089 /nfs/dbraw/zinc/24/40/89/216244089.db2.gz ZGNUFUYRROXSSU-UHFFFAOYSA-N 0 0 339.315 0.582 10 0 ECAERN COC(=O)[C@@H](Cn1ccnc1)[C@](O)(c1nccn1C)C(F)(F)F ZINC000012558785 291256516 /nfs/dbraw/zinc/25/65/16/291256516.db2.gz IVZLVJVDNFPBEV-SKDRFNHKSA-N 0 0 332.282 0.856 10 0 ECAERN CCc1onc(C)c1NC(=O)C(=O)N1CCC[C@H](n2cncn2)C1 ZINC000131528628 223243727 /nfs/dbraw/zinc/24/37/27/223243727.db2.gz QBNWTVBTWKBURA-NSHDSACASA-N 0 0 332.364 0.939 10 0 ECAERN CN[C@H](C(=O)N1CCS(=O)(=O)[C@H]2CCCC[C@H]21)c1cnn(C)c1 ZINC000262273991 283666586 /nfs/dbraw/zinc/66/65/86/283666586.db2.gz WEKHZDSLNLZCHM-RDBSUJKOSA-N 0 0 340.449 0.249 10 0 ECAERN C[C@H](c1nnnn1C1CC1)N1CCN(c2ccc3nncn3n2)CC1 ZINC000191999263 239427065 /nfs/dbraw/zinc/42/70/65/239427065.db2.gz WYXODNFUTFNZJI-LLVKDONJSA-N 0 0 340.395 0.329 10 0 ECAERN CNc1cc(N2CCC[C@H]2CNC(=O)NCCCCCO)ncn1 ZINC000193083990 240010686 /nfs/dbraw/zinc/01/06/86/240010686.db2.gz PCXSIJGVMPQSIE-ZDUSSCGKSA-N 0 0 336.440 0.949 10 0 ECAERN Cc1cc(C)nc(NC(=O)C(=O)N2CCO[C@@H](Cn3cccn3)C2)c1 ZINC000193474791 240179822 /nfs/dbraw/zinc/17/98/22/240179822.db2.gz JKTSUUIRNQKAIQ-CQSZACIVSA-N 0 0 343.387 0.761 10 0 ECAERN C[C@H]1CN(C(=O)C(=O)Nc2ccc(F)cn2)C[C@@H]1N1CCOCC1 ZINC000193718341 240280410 /nfs/dbraw/zinc/28/04/10/240280410.db2.gz MLWDMYGQHZNULD-AAEUAGOBSA-N 0 0 336.367 0.338 10 0 ECAERN O=C(NCc1cnc2n1CCN(C(=O)c1ccnnc1)C2)C1CC1 ZINC000096087577 284012423 /nfs/dbraw/zinc/01/24/23/284012423.db2.gz AWSXFGJJOYNMOW-UHFFFAOYSA-N 0 0 326.360 0.355 10 0 ECAERN C[C@@H]1CN(C2CCN(S(=O)(=O)C[C@H]3CCCO3)CC2)CCO1 ZINC000245198704 243101335 /nfs/dbraw/zinc/10/13/35/243101335.db2.gz SBDKKEWJSDHHMU-UKRRQHHQSA-N 0 0 332.466 0.680 10 0 ECAERN C[N@@H+](CC(=O)[O-])C[C@H]1CN(C(=O)c2c(F)cc(F)cc2F)CCO1 ZINC000262909212 245245333 /nfs/dbraw/zinc/24/53/33/245245333.db2.gz QNMIXHZDPSRCPX-JTQLQIEISA-N 0 0 346.305 0.961 10 0 ECAERN Cc1ccccc1C(=O)N[C@@H](C(=O)N1CCN(CCO)CC1)C(C)C ZINC000078344693 217042147 /nfs/dbraw/zinc/04/21/47/217042147.db2.gz KALGXRXSWIIGTJ-QGZVFWFLSA-N 0 0 347.459 0.886 10 0 ECAERN O=C(Cn1nc2ccccn2c1=O)N1CCO[C@@H](c2nccs2)C1 ZINC000110877104 220073461 /nfs/dbraw/zinc/07/34/61/220073461.db2.gz CZHBLUINONGPHA-LLVKDONJSA-N 0 0 345.384 0.553 10 0 ECAERN C[C@H](NC(=O)c1ccoc1)C(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111083210 220098048 /nfs/dbraw/zinc/09/80/48/220098048.db2.gz RPNIMRCSINKFDO-GXTWGEPZSA-N 0 0 332.360 0.522 10 0 ECAERN CCn1c(C)nnc1CN1CCC(CC(=O)N2CCN(C)CC2)CC1 ZINC000111241575 220122198 /nfs/dbraw/zinc/12/21/98/220122198.db2.gz IILCWKYGHBPKSL-UHFFFAOYSA-N 0 0 348.495 0.983 10 0 ECAERN Cc1cc(C)n(C[C@H]2CN(C(=O)NCCc3nc(C)no3)CCO2)n1 ZINC000111849163 220207354 /nfs/dbraw/zinc/20/73/54/220207354.db2.gz MOGHKFGHTFNJBJ-CQSZACIVSA-N 0 0 348.407 0.844 10 0 ECAERN COc1ccccc1C(=O)NCC(=O)N[C@@H]1CCCn2nc(C)nc21 ZINC000083675495 217550881 /nfs/dbraw/zinc/55/08/81/217550881.db2.gz UWQPMSQYNZZTNB-CYBMUJFWSA-N 0 0 343.387 0.976 10 0 ECAERN COC(=O)[C@H]1CCCN1C[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000265243828 247332492 /nfs/dbraw/zinc/33/24/92/247332492.db2.gz RXJHOWUUGIGLII-SMDDNHRTSA-N 0 0 332.356 0.281 10 0 ECAERN Cc1cc(N2CC[C@H](Nc3ccc4nnc(C)n4n3)C2=O)n(C)n1 ZINC000266217592 248181296 /nfs/dbraw/zinc/18/12/96/248181296.db2.gz HEYHLAYEGZDQCD-NSHDSACASA-N 0 0 326.364 0.692 10 0 ECAERN O=c1[nH]n(CCn2cc([C@H]3CCOC3)nn2)c(=O)c2ccccc12 ZINC000091493798 218014220 /nfs/dbraw/zinc/01/42/20/218014220.db2.gz LKJAXXHLKNIDRG-NSHDSACASA-N 0 0 327.344 0.898 10 0 ECAERN Cc1c(C(=O)N2CCOC[C@H]2C(N)=O)cnn1Cc1ccccc1 ZINC000091785604 218065805 /nfs/dbraw/zinc/06/58/05/218065805.db2.gz ODTDNRXLRIWDEZ-HNNXBMFYSA-N 0 0 328.372 0.566 10 0 ECAERN CN(Cc1nc2cc(F)ccc2[nH]1)C(=O)C1CCN(CC(N)=O)CC1 ZINC000092038222 218107604 /nfs/dbraw/zinc/10/76/04/218107604.db2.gz OLAFCVNYVJIFBZ-UHFFFAOYSA-N 0 0 347.394 0.858 10 0 ECAERN CN(C)[C@H](Cc1ccccc1)C(=O)NCCOCCS(C)(=O)=O ZINC000153137471 224063789 /nfs/dbraw/zinc/06/37/89/224063789.db2.gz DUTCFABTPWHFBD-OAHLLOKOSA-N 0 0 342.461 0.337 10 0 ECAERN CCOC(=O)[C@H](C)Sc1nc(C)nc2c1c(=O)n(C)c(=O)n2C ZINC000004960324 210340349 /nfs/dbraw/zinc/34/03/49/210340349.db2.gz WCDFIWUPBDPVET-ZETCQYMHSA-N 0 0 338.389 0.379 10 0 ECAERN O=C(CCn1cnc2ccccc2c1=O)N[C@H]1CCc2ncnn2C1 ZINC000112653579 220366020 /nfs/dbraw/zinc/36/60/20/220366020.db2.gz XFOHXOZQQUGUFC-LBPRGKRZSA-N 0 0 338.371 0.509 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1ccccc1S(C)(=O)=O)CC2 ZINC000114865872 220769616 /nfs/dbraw/zinc/76/96/16/220769616.db2.gz JXLFYRZPMCBOQM-NSHDSACASA-N 0 0 348.428 0.989 10 0 ECAERN CN(C)C(=O)CCNC(=O)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000117034675 221025811 /nfs/dbraw/zinc/02/58/11/221025811.db2.gz UGSUREFXQZOOMY-INIZCTEOSA-N 0 0 348.447 0.526 10 0 ECAERN O=c1c2ccccc2ncn1CCN1CCO[C@@H](Cn2cccn2)C1 ZINC000117340013 221055141 /nfs/dbraw/zinc/05/51/41/221055141.db2.gz XCMLYWSNYPRSMN-OAHLLOKOSA-N 0 0 339.399 0.994 10 0 ECAERN Cc1cnn(CCNC(=O)CN(C)S(=O)(=O)c2cccnc2)c1 ZINC000117817615 221092673 /nfs/dbraw/zinc/09/26/73/221092673.db2.gz MDMJZYNDRCWZKD-UHFFFAOYSA-N 0 0 337.405 0.023 10 0 ECAERN Cc1cnn(CCNC(=O)C2=NN(c3ccccc3)C(=O)[C@H](C)N2)c1 ZINC000117816354 221092884 /nfs/dbraw/zinc/09/28/84/221092884.db2.gz JLVWUNSCQGVWSU-ZDUSSCGKSA-N 0 0 340.387 0.646 10 0 ECAERN CN1Cc2ccc(NC(=O)C(=O)NC[C@@H]3CN(C)CCO3)cc2C1 ZINC000118115862 221121894 /nfs/dbraw/zinc/12/18/94/221121894.db2.gz WHENOVONMMZDEG-OAHLLOKOSA-N 0 0 332.404 0.017 10 0 ECAERN Cc1cc(C)n(C[C@H]2CN(C(=O)C(=O)Nc3nocc3C)CCO2)n1 ZINC000119137731 221251435 /nfs/dbraw/zinc/25/14/35/221251435.db2.gz PIFVPABTBUMGAA-CYBMUJFWSA-N 0 0 347.375 0.662 10 0 ECAERN Cc1ccc([C@H](C)NC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)o1 ZINC000119440802 221321551 /nfs/dbraw/zinc/32/15/51/221321551.db2.gz UXOKBJSFYMJPPN-LBPRGKRZSA-N 0 0 347.379 0.190 10 0 ECAERN CN1CCN(c2ncc(CN3CCC[C@H](n4cncn4)C3)cn2)CC1 ZINC000119517445 221338204 /nfs/dbraw/zinc/33/82/04/221338204.db2.gz GEOWNVBWFUGPQC-INIZCTEOSA-N 0 0 342.451 0.657 10 0 ECAERN COCCO[C@H]1CCN(S(=O)(=O)C2CC2)[C@@H]1Cc1cnn(C)c1 ZINC000248144414 257663117 /nfs/dbraw/zinc/66/31/17/257663117.db2.gz RLGWUWIISARDJW-CABCVRRESA-N 0 0 343.449 0.561 10 0 ECAERN Cc1ccc(N2CC3(C2)CN(C)[C@H](C(=O)N2CCCC2)CO3)nn1 ZINC000247961328 257671659 /nfs/dbraw/zinc/67/16/59/257671659.db2.gz FETUTIFOGYVBGU-AWEZNQCLSA-N 0 0 331.420 0.297 10 0 ECAERN CC(=O)N1[C@@H]2CCN(S(C)(=O)=O)C[C@@H]2C[C@H]1Cn1cccn1 ZINC000247930847 257673197 /nfs/dbraw/zinc/67/31/97/257673197.db2.gz JVBOZMZEVYKODQ-MELADBBJSA-N 0 0 326.422 0.154 10 0 ECAERN Cn1nccc1N1CCC[C@H](NS(=O)(=O)c2ccccn2)C1=O ZINC000328609751 258039802 /nfs/dbraw/zinc/03/98/02/258039802.db2.gz FSHOYAHVQHODKC-NSHDSACASA-N 0 0 335.389 0.289 10 0 ECAERN COC(=O)CNC(=O)CN1CCN(c2nc3ccccc3o2)CC1 ZINC000171629302 533520007 /nfs/dbraw/zinc/52/00/07/533520007.db2.gz WICOOXLKKRIQOC-UHFFFAOYSA-N 0 0 332.360 0.239 10 0 ECAERN Cn1cc(NC(=O)N[C@@H]2CCCN(c3nccn(C)c3=O)C2)cn1 ZINC000275862020 135636309 /nfs/dbraw/zinc/63/63/09/135636309.db2.gz XNUYYJCVLMRUOR-LLVKDONJSA-N 0 0 331.380 0.304 10 0 ECAERN CC(C)[C@H](O)CC(=O)N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000158989696 296710082 /nfs/dbraw/zinc/71/00/82/296710082.db2.gz SKXDQOWDOGTDQN-GOEBONIOSA-N 0 0 339.480 0.985 10 0 ECAERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1cc(CC(C)(C)C)nn1C ZINC000166842392 164820177 /nfs/dbraw/zinc/82/01/77/164820177.db2.gz ROBSBBUGYWEDHS-LBPRGKRZSA-N 0 0 349.435 0.684 10 0 ECAERN Cc1nc(CN2CCCN(C(=O)N[C@H](C)C(=O)N(C)C)CC2)no1 ZINC000173977177 164866179 /nfs/dbraw/zinc/86/61/79/164866179.db2.gz WDWPPPWKKHRNIY-LLVKDONJSA-N 0 0 338.412 0.072 10 0 ECAERN CNC(=O)[C@H](NC(=O)c1ccc(=O)n(-c2ccccc2)n1)C(C)C ZINC000178697604 164919007 /nfs/dbraw/zinc/91/90/07/164919007.db2.gz WPNOCCDUYYUOJS-OAHLLOKOSA-N 0 0 328.372 0.733 10 0 ECAERN CNC(=O)[C@H](NC(=O)CCn1nnc2ccccc2c1=O)C(C)C ZINC000178722105 164920389 /nfs/dbraw/zinc/92/03/89/164920389.db2.gz FCGJHAPYDMXVQA-CQSZACIVSA-N 0 0 331.376 0.068 10 0 ECAERN C[C@@H](N1CCN(C(=O)NCC(=O)NCC2CC2)CC1)C(F)(F)F ZINC000183786123 164959416 /nfs/dbraw/zinc/95/94/16/164959416.db2.gz OFDKIQHHBAFZJU-SNVBAGLBSA-N 0 0 336.358 0.791 10 0 ECAERN COCC(=O)NC1CN(C(=O)[C@@H](C)Oc2ccc(F)c(F)c2)C1 ZINC000185230938 164971352 /nfs/dbraw/zinc/97/13/52/164971352.db2.gz PBOQVYYKXIEOHV-SECBINFHSA-N 0 0 328.315 0.706 10 0 ECAERN COCC(=O)NC1CN(C(=O)[C@H]2COc3ccc(Cl)cc3C2)C1 ZINC000185227868 164971481 /nfs/dbraw/zinc/97/14/81/164971481.db2.gz DZCVPTWATRJLFQ-LLVKDONJSA-N 0 0 338.791 0.865 10 0 ECAERN COCC(=O)NC1CN(C(=O)NCc2nc(C(C)C)cs2)C1 ZINC000185673388 164974957 /nfs/dbraw/zinc/97/49/57/164974957.db2.gz ZVCGEMXJJDOKJN-UHFFFAOYSA-N 0 0 326.422 0.923 10 0 ECAERN C[C@H](CNC(=O)N1CC(NC(=O)C2CCC2)C1)CN1CCOCC1 ZINC000188864397 165003285 /nfs/dbraw/zinc/00/32/85/165003285.db2.gz XAXQCFPERHIEQL-CYBMUJFWSA-N 0 0 338.452 0.265 10 0 ECAERN Cc1ccc(-c2nnn(CC(=O)N3CCCNC(=O)[C@H]3C)n2)cc1 ZINC000188921197 165004649 /nfs/dbraw/zinc/00/46/49/165004649.db2.gz YLKNTHKCFAWNNO-GFCCVEGCSA-N 0 0 328.376 0.386 10 0 ECAERN O=C(NC1CN(C(=O)c2cccc(C(=O)N3CCCC3)n2)C1)C1CC1 ZINC000189389054 165010400 /nfs/dbraw/zinc/01/04/00/165010400.db2.gz AHRMVFIHPADRJZ-UHFFFAOYSA-N 0 0 342.399 0.668 10 0 ECAERN CC(=O)NC1CN(C(=O)N[C@H](C)c2cn(-c3ccccc3)nn2)C1 ZINC000190252742 165019747 /nfs/dbraw/zinc/01/97/47/165019747.db2.gz XQLGIXDBDVFQOQ-LLVKDONJSA-N 0 0 328.376 0.858 10 0 ECAERN CC(=O)NC1CN(C(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3F)C2)C1 ZINC000190522505 165022333 /nfs/dbraw/zinc/02/23/33/165022333.db2.gz IYFUGVWLXUFNNK-SNVBAGLBSA-N 0 0 337.326 0.665 10 0 ECAERN Cn1nc(Br)cc1C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000192104281 165041624 /nfs/dbraw/zinc/04/16/24/165041624.db2.gz LFBVNVUBRVHJNM-SSDOTTSWSA-N 0 0 325.170 0.519 10 0 ECAERN Cc1nn(C)c(C)c1-c1cc(C(=O)NC[C@H]2CN(C)CCO2)[nH]n1 ZINC000194609351 165069148 /nfs/dbraw/zinc/06/91/48/165069148.db2.gz UVONIXVBPLJOKO-LBPRGKRZSA-N 0 0 332.408 0.487 10 0 ECAERN CC(=O)N1CCc2ccccc2[C@H]1CC(=O)NC[C@@H]1CN(C)CCO1 ZINC000194623687 165070215 /nfs/dbraw/zinc/07/02/15/165070215.db2.gz HDMHWXULPIEIBS-SJLPKXTDSA-N 0 0 345.443 0.969 10 0 ECAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CCN(c2ccccc2C)CC1 ZINC000195034563 165074058 /nfs/dbraw/zinc/07/40/58/165074058.db2.gz QAQGIHKBXKFTQH-NVXWUHKLSA-N 0 0 331.416 0.625 10 0 ECAERN CCn1c(SCc2nnnn2C(C)C)nnc1N1CCOCC1 ZINC000195517198 165082995 /nfs/dbraw/zinc/08/29/95/165082995.db2.gz COJGDBQTZVKHBS-UHFFFAOYSA-N 0 0 338.441 0.994 10 0 ECAERN CC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(C)[C@H]2c2cccnc2)C1 ZINC000246381642 165133439 /nfs/dbraw/zinc/13/34/39/165133439.db2.gz NOXAEPBSHBEZQH-INMHGKMJSA-N 0 0 344.415 0.728 10 0 ECAERN CCn1cc([C@@H]2CN(S(=O)(=O)[C@H]3CCO[C@H]3C)CCO2)cn1 ZINC000248867009 165189450 /nfs/dbraw/zinc/18/94/50/165189450.db2.gz BCJGUOGCBYQEFL-UBHSHLNASA-N 0 0 329.422 0.784 10 0 ECAERN Cc1nc(CN2CCCN(S(=O)(=O)[C@@H]3CCO[C@H]3C)CC2)no1 ZINC000248954468 165191434 /nfs/dbraw/zinc/19/14/34/165191434.db2.gz PZSHFAZHXJLWHC-WCQYABFASA-N 0 0 344.437 0.393 10 0 ECAERN CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1c(C)ccn(C)c1=O ZINC000249190743 165195054 /nfs/dbraw/zinc/19/50/54/165195054.db2.gz PEQTUFCECHPZFP-KBPBESRZSA-N 0 0 346.431 0.717 10 0 ECAERN CCCCNC(=O)[C@H]1CCCN(C(=O)[C@H]([NH3+])C2CCOCC2)C1 ZINC000261705281 165230018 /nfs/dbraw/zinc/23/00/18/165230018.db2.gz IJVGFTYTXJLDAJ-LSDHHAIUSA-N 0 0 325.453 0.895 10 0 ECAERN CCCCN(C(=O)C[NH2+][C@H](CCC)C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000262276898 165319726 /nfs/dbraw/zinc/31/97/26/165319726.db2.gz JWHPPLPZBIDKOV-QWHCGFSZSA-N 0 0 348.465 0.645 10 0 ECAERN CCC[C@H]([NH2+][C@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1)C(=O)[O-] ZINC000262298975 165325672 /nfs/dbraw/zinc/32/56/72/165325672.db2.gz PRPHZNYKEJAJQL-SKDRFNHKSA-N 0 0 343.405 0.504 10 0 ECAERN COC[C@H]([NH3+])C(=O)N1CCN(Cc2cc(F)ccc2OC)CC1 ZINC000262329652 165331442 /nfs/dbraw/zinc/33/14/42/165331442.db2.gz DOBBPVBVUHPZCX-AWEZNQCLSA-N 0 0 325.384 0.452 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NS(=O)(=O)c2cncc(Cl)c2)C1 ZINC000262442399 165350300 /nfs/dbraw/zinc/35/03/00/165350300.db2.gz BHRKGXVOSYFIIW-UHFFFAOYSA-N 0 0 347.824 0.951 10 0 ECAERN CNC(=O)c1cccc(CCNC(=O)[C@H](NC)c2cnn(C)c2)c1 ZINC000262539987 165360560 /nfs/dbraw/zinc/36/05/60/165360560.db2.gz NCWTXKWJDAHOED-OAHLLOKOSA-N 0 0 329.404 0.399 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)[C@H](NC(C)=O)C2CCCC2)C1 ZINC000262685589 165373516 /nfs/dbraw/zinc/37/35/16/165373516.db2.gz CHKZTIOTJPKKGL-ZBCRRDGASA-N 0 0 339.436 0.735 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)[C@@H](NC(C)=O)C2CCCC2)C1 ZINC000262685587 165373733 /nfs/dbraw/zinc/37/37/33/165373733.db2.gz CHKZTIOTJPKKGL-XUJLQICISA-N 0 0 339.436 0.735 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)CNC(=O)c2ccccc2)C1 ZINC000262681006 165373935 /nfs/dbraw/zinc/37/39/35/165373935.db2.gz ANYAEANRRNOFJN-UHFFFAOYSA-N 0 0 333.388 0.470 10 0 ECAERN CC[C@@H](C(=O)NC1CC([N@H+](CC)CC(=O)[O-])C1)N1CCCC1=O ZINC000262780467 165387176 /nfs/dbraw/zinc/38/71/76/165387176.db2.gz IZEIXAMCCDRDJW-BPCQOVAHSA-N 0 0 325.409 0.441 10 0 ECAERN O=C1CCC(=O)N1CCN1CCN(c2ncnc3ccccc32)CC1 ZINC000301087679 296882171 /nfs/dbraw/zinc/88/21/71/296882171.db2.gz JUVNTIWFFYUKFL-UHFFFAOYSA-N 0 0 339.399 0.901 10 0 ECAERN Cn1cc(N2CC[C@@H](NC3=NS(=O)(=O)c4ccccc43)C2=O)cn1 ZINC000301280253 296884726 /nfs/dbraw/zinc/88/47/26/296884726.db2.gz KDUMAZYHQOYFAS-GFCCVEGCSA-N 0 0 345.384 0.264 10 0 ECAERN O=C(CCCNC(=O)c1cccnc1)N[C@H]1CCc2ncnn2C1 ZINC000123224217 222238048 /nfs/dbraw/zinc/23/80/48/222238048.db2.gz FVJKSBBXDGKABN-ZDUSSCGKSA-N 0 0 328.376 0.314 10 0 ECAERN CCn1cc(NC(=O)C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)ccc1=O ZINC000123310735 222254608 /nfs/dbraw/zinc/25/46/08/222254608.db2.gz ZYIOJODCKYYDTO-ACJLOTCBSA-N 0 0 347.415 0.960 10 0 ECAERN O=C(CN1CCC[C@@H](n2cncn2)C1)NCc1ccc2c(c1)OCO2 ZINC000171704191 227232409 /nfs/dbraw/zinc/23/24/09/227232409.db2.gz GDPJMMRSVCQXJB-CQSZACIVSA-N 0 0 343.387 0.960 10 0 ECAERN CC(C)OCCN1CCN(C(=O)NC[C@H](C)N2CCOCC2)CC1 ZINC000174157395 263150150 /nfs/dbraw/zinc/15/01/50/263150150.db2.gz AOENLHCWEUYSQZ-INIZCTEOSA-N 0 0 342.484 0.459 10 0 ECAERN CSCC[C@H](NC(=O)[C@@H]1CNC(=O)C1)c1nnc2ccccn21 ZINC000194781965 263169164 /nfs/dbraw/zinc/16/91/64/263169164.db2.gz SHBZWHQUNQDIQM-QWRGUYRKSA-N 0 0 333.417 0.776 10 0 ECAERN CO[C@@H]1C[C@@H](CO)N(c2ncnc3c2c(Br)nn3C)C1 ZINC000284521350 264223146 /nfs/dbraw/zinc/22/31/46/264223146.db2.gz KEFCSSDJFULWLN-JGVFFNPUSA-N 0 0 342.197 0.712 10 0 ECAERN CCOCCN1CCN(C(=O)N[C@@H]2CCCn3nc(C)nc32)CC1 ZINC000175880791 276318615 /nfs/dbraw/zinc/31/86/15/276318615.db2.gz XFFWSTLHHZAAKB-CQSZACIVSA-N 0 0 336.440 0.785 10 0 ECAERN CN1CCC(=O)Nc2cc(C(=O)N[C@H]3CCc4ncnn4C3)ccc21 ZINC000174815898 277024098 /nfs/dbraw/zinc/02/40/98/277024098.db2.gz CXUFUPMBRPZVHY-LBPRGKRZSA-N 0 0 340.387 0.801 10 0 ECAERN CN1CCN(CC(=O)N2CCC[C@@H](C(N)=O)C2)[C@H](c2ccccc2)C1 ZINC000248395628 277103913 /nfs/dbraw/zinc/10/39/13/277103913.db2.gz GIBMFFSGEYVKOJ-SJORKVTESA-N 0 0 344.459 0.699 10 0 ECAERN O=C(CCCNC(=O)c1cccnc1)N1CC(NC(=O)C2CC2)C1 ZINC000189423412 437598899 /nfs/dbraw/zinc/59/88/99/437598899.db2.gz BWBUORIDXMERDY-UHFFFAOYSA-N 0 0 330.388 0.329 10 0 ECAERN CC1=C(C(=O)N2CC[C@@H](N3CCOCC3)C2)[C@H](C)n2ncnc2N1C ZINC000193225654 278483201 /nfs/dbraw/zinc/48/32/01/278483201.db2.gz GQANOFWECIFZBE-UONOGXRCSA-N 0 0 346.435 0.496 10 0 ECAERN NC(=O)[C@@H]1COCCN1C(=O)c1cn(-c2ccccc2Cl)nn1 ZINC000180275240 279579934 /nfs/dbraw/zinc/57/99/34/279579934.db2.gz GYAVEABDCWCTDA-LBPRGKRZSA-N 0 0 335.751 0.247 10 0 ECAERN C[C@H]1OCCN[C@@H]1C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000261946625 280057288 /nfs/dbraw/zinc/05/72/88/280057288.db2.gz NRCSPJCKMHUWKG-WBMJQRKESA-N 0 0 344.415 0.870 10 0 ECAERN NC(=O)[C@H]1COCCN1C(=O)c1ccc(Br)cc1O ZINC000091810306 295159031 /nfs/dbraw/zinc/15/90/31/295159031.db2.gz JDHOQDQEHAEWTB-SECBINFHSA-N 0 0 329.150 0.481 10 0 ECAERN C[C@H](NC(=O)NCC1(N2CCOCC2)CC1)C(=O)N1CCCCC1 ZINC000333001774 297099509 /nfs/dbraw/zinc/09/95/09/297099509.db2.gz CXEVXEDAFHVFPE-AWEZNQCLSA-N 0 0 338.452 0.551 10 0 ECAERN O=C1[C@H](N2CCC[C@H](N3CCCS3(=O)=O)C2)CCN1C1CC1 ZINC000333055962 297105394 /nfs/dbraw/zinc/10/53/94/297105394.db2.gz RHMUSIJDZHXHEV-UONOGXRCSA-N 0 0 327.450 0.250 10 0 ECAERN O=C(c1cnn2ncccc12)N1CCC(c2ccnn2CCO)CC1 ZINC000333100651 297109509 /nfs/dbraw/zinc/10/95/09/297109509.db2.gz CSIAVNGIRJJLGK-UHFFFAOYSA-N 0 0 340.387 0.938 10 0 ECAERN C[C@H]1CN(C(=O)Cn2ncc(=O)c3ccccc32)CC[S@@](=O)C1 ZINC000333436618 297133744 /nfs/dbraw/zinc/13/37/44/297133744.db2.gz KZEGFJSNRAGKMN-DAOPMYJZSA-N 0 0 333.413 0.624 10 0 ECAERN CCS(=O)(=O)C1CN(C(=O)[C@@H]2COCCN2CC2CCC2)C1 ZINC000333954162 297156978 /nfs/dbraw/zinc/15/69/78/297156978.db2.gz FAGQLPFHKHKLLR-AWEZNQCLSA-N 0 0 330.450 0.133 10 0 ECAERN C[C@H]1C[C@@H](O)CN(C(=O)N[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)C1 ZINC000334019503 297159044 /nfs/dbraw/zinc/15/90/44/297159044.db2.gz BQLDMKBJCILHQA-YNEHKIRRSA-N 0 0 345.465 0.355 10 0 ECAERN C[C@@H](C(=O)NCCNC(=O)C1CC1)N1C(=O)c2ccccc2C1=O ZINC000070752045 435990015 /nfs/dbraw/zinc/99/00/15/435990015.db2.gz LNEGLKQGMCBSEP-JTQLQIEISA-N 0 0 329.356 0.314 10 0 ECAERN Cn1ccnc1[C@H]1CN(C(=O)N[C@@H]2CCc3n[nH]cc3C2)CCN1C ZINC000369668166 300759343 /nfs/dbraw/zinc/75/93/43/300759343.db2.gz XSXUQDUGOXXLTB-UKRRQHHQSA-N 0 0 343.435 0.699 10 0 ECAERN CC(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000370492603 300834478 /nfs/dbraw/zinc/83/44/78/300834478.db2.gz RRZZMPOMHZVYTG-DCGLDWPTSA-N 0 0 337.420 0.884 10 0 ECAERN CN(C)c1ncccc1O[C@H]1CCN(C(=O)CCn2ccnn2)C1 ZINC000372538137 301008446 /nfs/dbraw/zinc/00/84/46/301008446.db2.gz KYQABBMFYHVFIK-ZDUSSCGKSA-N 0 0 330.392 0.809 10 0 ECAERN Cc1cccc(C)c1-n1nnnc1CN1CCOC[C@H]1c1nc[nH]n1 ZINC000375290393 301165075 /nfs/dbraw/zinc/16/50/75/301165075.db2.gz AXGDKRYEYYYHKO-ZDUSSCGKSA-N 0 0 340.391 0.971 10 0 ECAERN NC(=O)[C@]1(O)CCCN(C(=O)[C@@H]2CCCN(CC(F)(F)F)C2)C1 ZINC000375783352 301208809 /nfs/dbraw/zinc/20/88/09/301208809.db2.gz RGADPVZBXWLODP-MFKMUULPSA-N 0 0 337.342 0.100 10 0 ECAERN C[C@@H]1CN(C(=O)CN2CCN(C)[C@H](c3nccn3C)C2)C[C@@H](C)O1 ZINC000375902618 301219572 /nfs/dbraw/zinc/21/95/72/301219572.db2.gz CFUIEBWXGNCLRK-KFWWJZLASA-N 0 0 335.452 0.344 10 0 ECAERN O=C(N[C@H]1CCC(=O)N[C@@H]1[C@H]1CCCO1)C(F)(F)C1(O)CCC1 ZINC000377970417 301397580 /nfs/dbraw/zinc/39/75/80/301397580.db2.gz LWGWJOKHAXFMJN-UMNHJUIQSA-N 0 0 332.347 0.479 10 0 ECAERN Cn1ncnc1CNc1ncc(C(=O)N2CCOCC2)cc1Cl ZINC000078677611 436275493 /nfs/dbraw/zinc/27/54/93/436275493.db2.gz LXTBKDQGIHGQLQ-UHFFFAOYSA-N 0 0 336.783 0.948 10 0 ECAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)Cn1nc2ccccn2c1=O ZINC000081579095 436351607 /nfs/dbraw/zinc/35/16/07/436351607.db2.gz VZKFTYLJFJIRGJ-LLVKDONJSA-N 0 0 327.348 0.047 10 0 ECAERN Cc1ccc([C@H](C)NC(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)o1 ZINC000043719910 436334761 /nfs/dbraw/zinc/33/47/61/436334761.db2.gz JRGSJXVWBLNFRB-LBPRGKRZSA-N 0 0 348.403 0.781 10 0 ECAERN CC(=O)N1CCN(C(=O)[C@H](Cc2ccccc2)n2cnnn2)CC1 ZINC000045527044 436369675 /nfs/dbraw/zinc/36/96/75/436369675.db2.gz JZHHAJUIJWSHOQ-HNNXBMFYSA-N 0 0 328.376 0.148 10 0 ECAERN Cn1cnc(S(=O)(=O)NCC(=O)N[C@H]2CCCc3ccccc32)c1 ZINC000088564859 436402965 /nfs/dbraw/zinc/40/29/65/436402965.db2.gz STMFQYKXMLXQAQ-AWEZNQCLSA-N 0 0 348.428 0.892 10 0 ECAERN CCS(=O)(=O)NCCCNC(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000089265475 436408526 /nfs/dbraw/zinc/40/85/26/436408526.db2.gz LRYJLXFTMSZNFO-UHFFFAOYSA-N 0 0 343.453 0.628 10 0 ECAERN CC1CCN(c2ccc(C(=O)N3CCOC[C@H]3C(N)=O)cn2)CC1 ZINC000091810820 436460087 /nfs/dbraw/zinc/46/00/87/436460087.db2.gz GHGJGYFYUWONDI-AWEZNQCLSA-N 0 0 332.404 0.644 10 0 ECAERN C[C@@H](C(=O)NC(=O)NC1CC1)N1CCC(Nc2cccnn2)CC1 ZINC000105805184 436578380 /nfs/dbraw/zinc/57/83/80/436578380.db2.gz ULXROULGPGJUIF-NSHDSACASA-N 0 0 332.408 0.730 10 0 ECAERN CCOC(=O)[C@@H]1C(=O)CC[C@H](C(=O)OC)N1C(=O)c1ccccc1 ZINC000102199895 436551678 /nfs/dbraw/zinc/55/16/78/436551678.db2.gz XIULBHYZFMPXCG-OCCSQVGLSA-N 0 0 333.340 0.965 10 0 ECAERN CN1CCO[C@H](CNC(=O)Nc2ccccc2CN2CCOCC2)C1 ZINC000105281165 436570985 /nfs/dbraw/zinc/57/09/85/436570985.db2.gz ZWDZNZRQIULFPS-MRXNPFEDSA-N 0 0 348.447 0.971 10 0 ECAERN CCCNC(=O)NC(=O)CN1CCCN(c2ccc(C)nn2)CC1 ZINC000105800632 436577307 /nfs/dbraw/zinc/57/73/07/436577307.db2.gz KDFIKBHGHVXRBK-UHFFFAOYSA-N 0 0 334.424 0.533 10 0 ECAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)[C@H](C)NS(C)(=O)=O ZINC000105882106 436584308 /nfs/dbraw/zinc/58/43/08/436584308.db2.gz KQIWQEJBOYRYBK-JQWIXIFHSA-N 0 0 328.438 0.638 10 0 ECAERN CCOC(=O)[C@H](C)N1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000105894428 436584689 /nfs/dbraw/zinc/58/46/89/436584689.db2.gz SROLGIHTGXHUPR-HOTGVXAUSA-N 0 0 336.432 0.996 10 0 ECAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)[C@@H](C)NS(C)(=O)=O ZINC000105882103 436584993 /nfs/dbraw/zinc/58/49/93/436584993.db2.gz KQIWQEJBOYRYBK-ZYHUDNBSSA-N 0 0 328.438 0.638 10 0 ECAERN CCCNC(=O)CN(C)C(=O)CN1CCC[C@@H](n2cc(C)cn2)C1 ZINC000105900632 436587339 /nfs/dbraw/zinc/58/73/39/436587339.db2.gz CFOBSJUZFFSSKE-OAHLLOKOSA-N 0 0 335.452 0.813 10 0 ECAERN CN(C)c1nc(N)nc(CN2CCC(Nc3cccnn3)CC2)n1 ZINC000106081520 436589473 /nfs/dbraw/zinc/58/94/73/436589473.db2.gz VRNUVIFFDSFRGN-UHFFFAOYSA-N 0 0 329.412 0.386 10 0 ECAERN Cc1nc(C)n(C[C@@H]2CCCN(Cc3nc(N)nc(N(C)C)n3)C2)n1 ZINC000106179351 436590327 /nfs/dbraw/zinc/59/03/27/436590327.db2.gz SHLLMMHLFOOKNK-CYBMUJFWSA-N 0 0 345.455 0.640 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)CCNC(=O)Cc2ccccc2)CC1 ZINC000106395905 436592912 /nfs/dbraw/zinc/59/29/12/436592912.db2.gz VNFFJOVNGFTZDW-QGZVFWFLSA-N 0 0 347.459 0.651 10 0 ECAERN CS(=O)(=O)Nc1ccc(NC(=O)[C@H]2CNC(=O)C2)cc1Cl ZINC000110359477 436628539 /nfs/dbraw/zinc/62/85/39/436628539.db2.gz QDWLVWOGWISQEL-SSDOTTSWSA-N 0 0 331.781 0.786 10 0 ECAERN O=c1cc(C[NH+]2CCC(Nc3cccnn3)CC2)nc2cc[n-]n21 ZINC000108867226 436621577 /nfs/dbraw/zinc/62/15/77/436621577.db2.gz AXEJVLFXQHRSOE-UHFFFAOYSA-N 0 0 325.376 0.889 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)[C@H](C)NC(=O)c1ccco1)CC2 ZINC000114863417 436644722 /nfs/dbraw/zinc/64/47/22/436644722.db2.gz IYOUYEYMGKILCW-QWRGUYRKSA-N 0 0 331.376 0.683 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)NCC(=O)NCC(F)(F)F)CC2 ZINC000114937908 436644999 /nfs/dbraw/zinc/64/49/99/436644999.db2.gz AOTFNHKSGNGIBD-QMMMGPOBSA-N 0 0 348.329 0.133 10 0 ECAERN CN1CCO[C@@H](CNC(=O)NC[C@](C)(O)c2ccc(F)cc2F)C1 ZINC000114526743 436642535 /nfs/dbraw/zinc/64/25/35/436642535.db2.gz BQOOCUBJOOIZRW-LRDDRELGSA-N 0 0 343.374 0.802 10 0 ECAERN CCCNC(=O)C1CCN(c2cncnc2N2CCN(C)CC2)CC1 ZINC000065226832 436651801 /nfs/dbraw/zinc/65/18/01/436651801.db2.gz QLUMUSNNAJZYOQ-UHFFFAOYSA-N 0 0 346.479 0.971 10 0 ECAERN Cn1cc([C@@H]2CCN(C(=O)Cc3ccc(-n4cnnn4)cc3)C2)cn1 ZINC000116115642 436649026 /nfs/dbraw/zinc/64/90/26/436649026.db2.gz YLOKSKDVPJBARH-CQSZACIVSA-N 0 0 337.387 0.954 10 0 ECAERN O=C(NC[C@H](O)CN1CCOCC1)c1cc(F)cc2nccnc21 ZINC000193914688 436655064 /nfs/dbraw/zinc/65/50/64/436655064.db2.gz SIUXMDWPUAGADD-LBPRGKRZSA-N 0 0 334.351 0.192 10 0 ECAERN C[C@@H](Oc1cccc(CO)c1)C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000120947611 436703458 /nfs/dbraw/zinc/70/34/58/436703458.db2.gz OCWZOPASBOBCHL-ZBFHGGJFSA-N 0 0 334.416 0.879 10 0 ECAERN O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCCC1)[C@@H]1CNC(=O)C1 ZINC000194654866 436668478 /nfs/dbraw/zinc/66/84/78/436668478.db2.gz HTMGWNQAJXFKME-GJZGRUSLSA-N 0 0 329.400 0.472 10 0 ECAERN C[C@@H](NC(=O)c1ccco1)C(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000194733084 436670347 /nfs/dbraw/zinc/67/03/47/436670347.db2.gz FWAHQZQQKCFXRJ-SNVBAGLBSA-N 0 0 340.343 0.894 10 0 ECAERN CCc1noc([C@H](C)N2CCN(S(=O)(=O)C[C@@H](C)OC)CC2)n1 ZINC000195247437 436684410 /nfs/dbraw/zinc/68/44/10/436684410.db2.gz UNSFXIYJKQOUQY-NEPJUHHUSA-N 0 0 346.453 0.675 10 0 ECAERN Cc1cc(S(C)(=O)=O)cc(C(=O)NC[C@@H]2CN(C)CCO2)c1C ZINC000121747577 436723447 /nfs/dbraw/zinc/72/34/47/436723447.db2.gz ASFZNPMIENTPDY-CYBMUJFWSA-N 0 0 340.445 0.767 10 0 ECAERN CC(C)C[C@H](C[NH+](C)C)NC(=O)C(=O)Nc1cccc(C(N)=O)c1 ZINC000121841720 436726638 /nfs/dbraw/zinc/72/66/38/436726638.db2.gz NLCUMTDGQHDLHX-CQSZACIVSA-N 0 0 334.420 0.817 10 0 ECAERN C[C@@H]1CC[C@@H](C(=O)Nc2cnn(CC(=O)N3CCN(C)CC3)c2)O1 ZINC000152503073 436731041 /nfs/dbraw/zinc/73/10/41/436731041.db2.gz IHNBGOMIFVMBQY-OCCSQVGLSA-N 0 0 335.408 0.163 10 0 ECAERN CN(C(=O)[C@H]1CCN(C)C(=O)C1)[C@H]1CCCN(c2cccnn2)C1 ZINC000122143860 436731354 /nfs/dbraw/zinc/73/13/54/436731354.db2.gz WXJIDFYTMRXKJV-KBPBESRZSA-N 0 0 331.420 0.772 10 0 ECAERN CCn1nc(C)c(NC(=O)C(=O)N2CCC[C@H](NC(C)=O)C2)c1C ZINC000152841605 436742367 /nfs/dbraw/zinc/74/23/67/436742367.db2.gz CMPLWIRMRZWQLF-ZDUSSCGKSA-N 0 0 335.408 0.585 10 0 ECAERN C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCCn1ccnc1 ZINC000124331190 436748539 /nfs/dbraw/zinc/74/85/39/436748539.db2.gz DHGBUGJXMOMENO-LLVKDONJSA-N 0 0 347.400 0.127 10 0 ECAERN CC(=O)N[C@@H](C)c1nc2ccccc2n1C[C@@H](O)CN1CCOCC1 ZINC000124749988 436757462 /nfs/dbraw/zinc/75/74/62/436757462.db2.gz JRJJMNZKBQMRPS-ZFWWWQNUSA-N 0 0 346.431 0.927 10 0 ECAERN CCCn1nccc1NC(=O)C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000153881041 436766419 /nfs/dbraw/zinc/76/64/19/436766419.db2.gz JXHPMOFAWDPFFP-CYBMUJFWSA-N 0 0 335.408 0.165 10 0 ECAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)N1C[C@@H](C)O[C@H](CO)C1)CC2 ZINC000248731017 436809520 /nfs/dbraw/zinc/80/95/20/436809520.db2.gz VZKUQILNMACLMP-AGIUHOORSA-N 0 0 337.424 0.508 10 0 ECAERN O=C(NC[C@H](O)CN1CCOCC1)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000128165847 436812186 /nfs/dbraw/zinc/81/21/86/436812186.db2.gz CRPIOSDJUMWUPX-IACUBPJLSA-N 0 0 340.370 0.878 10 0 ECAERN CCOc1ccccc1CCC(=O)NC[C@@H](O)CN1CCOCC1 ZINC000154156310 436773135 /nfs/dbraw/zinc/77/31/35/436773135.db2.gz UBXILDYLQPVRAN-MRXNPFEDSA-N 0 0 336.432 0.827 10 0 ECAERN C[C@@H]1CN([C@H](CNC(=O)Cn2cnnn2)c2cccs2)CCO1 ZINC000246687975 436784730 /nfs/dbraw/zinc/78/47/30/436784730.db2.gz DODWXYPVQVEIFW-VXGBXAGGSA-N 0 0 336.421 0.313 10 0 ECAERN CCOCCN1CCN(C(=O)[C@H]2CCCN(C(N)=O)C2)C[C@@H]1C ZINC000247147155 436790379 /nfs/dbraw/zinc/79/03/79/436790379.db2.gz POKKDOIQCQPECA-KBPBESRZSA-N 0 0 326.441 0.346 10 0 ECAERN CN1CCO[C@@H](CNC(=O)N[C@@H]2CCN(c3ncccc3F)C2)C1 ZINC000155290118 436792605 /nfs/dbraw/zinc/79/26/05/436792605.db2.gz DMSWIWLISNUPLG-OLZOCXBDSA-N 0 0 337.399 0.429 10 0 ECAERN Cc1noc(CCNC(=O)N[C@H]2CCc3nc(C(C)C)nn3C2)n1 ZINC000158463859 436844984 /nfs/dbraw/zinc/84/49/84/436844984.db2.gz TVKQQVYXNRNGLS-NSHDSACASA-N 0 0 333.396 0.950 10 0 ECAERN CC(C)[C@@H](O)CC(=O)N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000158989814 436852468 /nfs/dbraw/zinc/85/24/68/436852468.db2.gz SKXDQOWDOGTDQN-HOCLYGCPSA-N 0 0 339.480 0.985 10 0 ECAERN Cc1cnn(-c2ccc(C(=O)NC[C@H](O)CN3CCOCC3)cc2)c1 ZINC000129246494 436824905 /nfs/dbraw/zinc/82/49/05/436824905.db2.gz JTOAOKQKLYQZNI-KRWDZBQOSA-N 0 0 344.415 0.604 10 0 ECAERN O=C(CCCOc1ccccc1F)NC[C@@H](O)CN1CCOCC1 ZINC000129396943 436827110 /nfs/dbraw/zinc/82/71/10/436827110.db2.gz IHDCHIWFZDKZQR-CQSZACIVSA-N 0 0 340.395 0.794 10 0 ECAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)CCN1C(=O)CCC1=O)CC2 ZINC000133826778 436885614 /nfs/dbraw/zinc/88/56/14/436885614.db2.gz JNTNTUNDTIEINY-NSHDSACASA-N 0 0 333.392 0.372 10 0 ECAERN CCC(=O)N1CC[C@H](C(=O)N2CCO[C@@H](Cn3cc(C)cn3)C2)C1 ZINC000161920932 436898920 /nfs/dbraw/zinc/89/89/20/436898920.db2.gz MGMPKFZVGAMVSX-LSDHHAIUSA-N 0 0 334.420 0.677 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NS(=O)(=O)c2ccccc2N)C1 ZINC000263464492 436966391 /nfs/dbraw/zinc/96/63/91/436966391.db2.gz FULDKUFHWWEZEY-UHFFFAOYSA-N 0 0 327.406 0.485 10 0 ECAERN O=C(Cn1cnnn1)N1CC[C@@H](Oc2cccnc2N2CCCC2)C1 ZINC000275513008 436977523 /nfs/dbraw/zinc/97/75/23/436977523.db2.gz DKJQWTFUAKTIFV-CYBMUJFWSA-N 0 0 343.391 0.348 10 0 ECAERN Cc1nnc([C@H]2CN(C(=O)NCc3cccc(N(C)C)n3)CCO2)[nH]1 ZINC000164151720 436931802 /nfs/dbraw/zinc/93/18/02/436931802.db2.gz HGDSYANRWHDOCM-CYBMUJFWSA-N 0 0 345.407 0.857 10 0 ECAERN C[C@@H](C(=O)Nc1nccs1)N1CCO[C@@H](C[N@H+](C)CC(=O)[O-])C1 ZINC000262895964 436943376 /nfs/dbraw/zinc/94/33/76/436943376.db2.gz PBUGFJDGWPTQOK-QWRGUYRKSA-N 0 0 342.421 0.187 10 0 ECAERN C[C@@H]1CN(C(=O)C(=O)N2CCN(Cc3ccccc3)CC2)C[C@@H](C)O1 ZINC000170331680 436945346 /nfs/dbraw/zinc/94/53/46/436945346.db2.gz FGPBJIBOOCHKIG-HZPDHXFCSA-N 0 0 345.443 0.967 10 0 ECAERN Cn1cc(Cl)cc1C(=O)N1CCO[C@H](C[N@H+](C)CC(=O)[O-])C1 ZINC000262947485 436946229 /nfs/dbraw/zinc/94/62/29/436946229.db2.gz OGCNBGODTWVTIT-LLVKDONJSA-N 0 0 329.784 0.536 10 0 ECAERN C[N@@H+](CC(=O)[O-])C[C@H]1CN(C(=O)c2ccc(F)c(F)c2)CCO1 ZINC000262972571 436946737 /nfs/dbraw/zinc/94/67/37/436946737.db2.gz SBYZNTDJSYCXLB-NSHDSACASA-N 0 0 328.315 0.822 10 0 ECAERN C[C@@H]1CCC[C@H](NC(=O)N2CCO[C@@H](C[N@H+](C)CC(=O)[O-])C2)C1 ZINC000263066665 436951133 /nfs/dbraw/zinc/95/11/33/436951133.db2.gz SQOAPRRVNACNFA-RDBSUJKOSA-N 0 0 327.425 0.992 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)CNC(=O)c1ccccn1)CC2 ZINC000172551342 437019200 /nfs/dbraw/zinc/01/92/00/437019200.db2.gz AODKQGOCLXREPP-NSHDSACASA-N 0 0 328.376 0.097 10 0 ECAERN Cn1nccc1C1CCN(C(=O)CNC(=O)c2ccccn2)CC1 ZINC000172554880 437019472 /nfs/dbraw/zinc/01/94/72/437019472.db2.gz VVRUEDSSYWFGBH-UHFFFAOYSA-N 0 0 327.388 0.951 10 0 ECAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)NC[C@@H]1CN(C)CCO1)CC2 ZINC000172583553 437020570 /nfs/dbraw/zinc/02/05/70/437020570.db2.gz KUBJCUDWGYZUMQ-QWHCGFSZSA-N 0 0 336.440 0.346 10 0 ECAERN O=C(c1ccc(N2CCNC2=O)cc1)N1CC[C@H](N2CCOCC2)C1 ZINC000172750926 437026598 /nfs/dbraw/zinc/02/65/98/437026598.db2.gz WWYOQYJXZBWXDA-INIZCTEOSA-N 0 0 344.415 0.763 10 0 ECAERN CCC(CC)N1C[C@@H](C(=O)N2CC[C@@H](N3CCOCC3)C2)CC1=O ZINC000172750557 437026740 /nfs/dbraw/zinc/02/67/40/437026740.db2.gz QUDBRZOOBKRNJH-GOEBONIOSA-N 0 0 337.464 0.957 10 0 ECAERN Cc1cnn([C@@H]2CCCN(S(=O)(=O)CCS(C)(=O)=O)C2)c1 ZINC000173139540 437040193 /nfs/dbraw/zinc/04/01/93/437040193.db2.gz UYOKRYXUOIDBKN-GFCCVEGCSA-N 0 0 335.451 0.203 10 0 ECAERN CC[C@@H]1CN(C(=O)CSc2n[nH]c(C)n2)CCN1C[C@@H](C)O ZINC000173362177 437046949 /nfs/dbraw/zinc/04/69/49/437046949.db2.gz YKXYKJRKKZPUPR-ZYHUDNBSSA-N 0 0 327.454 0.509 10 0 ECAERN CNc1cc(N2CCC[C@@H]2CNC(=O)c2ccc(=O)n(C)c2)ncn1 ZINC000173421704 437049178 /nfs/dbraw/zinc/04/91/78/437049178.db2.gz SRQBEZWLFZRGEC-CYBMUJFWSA-N 0 0 342.403 0.616 10 0 ECAERN Cc1nnc([C@@H]2CN(C(=O)c3cnn(C)c3-n3cccc3)CCO2)[nH]1 ZINC000173526336 437054057 /nfs/dbraw/zinc/05/40/57/437054057.db2.gz JDZMFAQDBJBGNF-ZDUSSCGKSA-N 0 0 341.375 0.851 10 0 ECAERN NC(=O)c1ccc(NC(=O)N2CC[C@@H](N3CCOCC3)C2)cc1F ZINC000173901298 437068502 /nfs/dbraw/zinc/06/85/02/437068502.db2.gz NXZMPNWUNFADQF-GFCCVEGCSA-N 0 0 336.367 0.863 10 0 ECAERN Cc1cnn([C@H]2CCCN(C(=O)CN3C(=O)NC(=O)C3(C)C)C2)c1 ZINC000174661188 437086123 /nfs/dbraw/zinc/08/61/23/437086123.db2.gz YTBJQUODCKNNEI-LBPRGKRZSA-N 0 0 333.392 0.685 10 0 ECAERN COCCN1CCN(C(=O)N[C@@H]2CC(=O)N(C(C)(C)C)C2)C[C@H]1C ZINC000174900594 437089265 /nfs/dbraw/zinc/08/92/65/437089265.db2.gz FMOQEEOBBUUOHV-ZIAGYGMSSA-N 0 0 340.468 0.748 10 0 ECAERN CNc1cc(N2CCC[C@H]2CNC(=O)NCCn2cccn2)ncn1 ZINC000174950132 437092262 /nfs/dbraw/zinc/09/22/62/437092262.db2.gz IGHCMYYIVYDJDX-ZDUSSCGKSA-N 0 0 344.423 0.683 10 0 ECAERN NC(=O)c1cnn2c1nccc2C(=O)N1CCCC[C@H]1c1cn[nH]c1 ZINC000132804469 303351199 /nfs/dbraw/zinc/35/11/99/303351199.db2.gz DCPBKTLEALNBEC-LBPRGKRZSA-N 0 0 339.359 0.919 10 0 ECAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)[C@H](C)CS(C)(=O)=O)CCO2)n1 ZINC000176806132 437156558 /nfs/dbraw/zinc/15/65/58/437156558.db2.gz ADSBHURKSBLDCY-RISCZKNCSA-N 0 0 343.449 0.408 10 0 ECAERN C[C@H]1CN(S(=O)(=O)N2CCCCCC2)C[C@@H]1N1CCOCC1 ZINC000176997403 437163169 /nfs/dbraw/zinc/16/31/69/437163169.db2.gz XIOYIUTVGWUWQQ-GJZGRUSLSA-N 0 0 331.482 0.760 10 0 ECAERN C[C@H]1CN(C(=O)NCc2ccc(C(N)=O)cc2)C[C@@H]1N1CCOCC1 ZINC000175677009 437113226 /nfs/dbraw/zinc/11/32/26/437113226.db2.gz HNGUJTFXAILHGI-BBRMVZONSA-N 0 0 346.431 0.648 10 0 ECAERN CS(=O)(=O)NCCC(=O)NC1(c2noc(C3CC3)n2)CCCC1 ZINC000175708614 437114017 /nfs/dbraw/zinc/11/40/17/437114017.db2.gz SLCZEAACMKLURO-UHFFFAOYSA-N 0 0 342.421 0.772 10 0 ECAERN O=C(CNC(=O)COc1ccccc1)N[C@@H]1CCCn2ncnc21 ZINC000175713033 437116523 /nfs/dbraw/zinc/11/65/23/437116523.db2.gz VJZBFVDNCNKERI-CYBMUJFWSA-N 0 0 329.360 0.424 10 0 ECAERN CCc1cc(=O)n2nc(N[C@H]3CC(=O)N(C(C)C)C3=O)sc2n1 ZINC000301498091 437122935 /nfs/dbraw/zinc/12/29/35/437122935.db2.gz VIFBLXGULCRZIR-VIFPVBQESA-N 0 0 335.389 0.661 10 0 ECAERN CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1ncn(CC(=O)N(C)C)n1 ZINC000175950234 437124720 /nfs/dbraw/zinc/12/47/20/437124720.db2.gz BQBUOMJDVOWKIN-LBPRGKRZSA-N 0 0 337.428 0.314 10 0 ECAERN CCOCCNC(=O)CN1CCN([C@@H](C)c2nc(C)no2)CC1 ZINC000175961461 437125725 /nfs/dbraw/zinc/12/57/25/437125725.db2.gz KVWATJCZEXIURD-LBPRGKRZSA-N 0 0 325.413 0.209 10 0 ECAERN O=C(Nc1ccc(-n2cccn2)nc1)C(=O)N[C@H]1CCCC[C@H]1CO ZINC000177554814 437189823 /nfs/dbraw/zinc/18/98/23/437189823.db2.gz TYOVVLDSEWXAFD-JSGCOSHPSA-N 0 0 343.387 0.873 10 0 ECAERN Cc1ccc(NC(=O)C(=O)N2CCN(C[C@@H](C)O)[C@@H](C)C2)c(F)c1 ZINC000177607142 437191256 /nfs/dbraw/zinc/19/12/56/437191256.db2.gz IVJSASDSPABCAQ-QWHCGFSZSA-N 0 0 337.395 0.986 10 0 ECAERN CNC(=O)[C@H](NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)C(C)C ZINC000178728842 437227491 /nfs/dbraw/zinc/22/74/91/437227491.db2.gz PUKWOAARSGJUKP-GDBMZVCRSA-N 0 0 331.416 0.922 10 0 ECAERN Cc1noc([C@H]2C[C@H](O)CN2C(=O)C2=NN(CC(C)C)C(=O)CC2)n1 ZINC000328610800 437240167 /nfs/dbraw/zinc/24/01/67/437240167.db2.gz JDKQANNRPVZVNF-WCQYABFASA-N 0 0 349.391 0.647 10 0 ECAERN CNC(=O)[C@H](NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)C(C)C ZINC000178926726 437240279 /nfs/dbraw/zinc/24/02/79/437240279.db2.gz XCQDUNIYHILZCZ-GFCCVEGCSA-N 0 0 341.389 0.180 10 0 ECAERN CC(C)n1cnc(S(=O)(=O)N2CCN(C)[C@H](c3ncc[nH]3)C2)c1 ZINC000328633393 437243770 /nfs/dbraw/zinc/24/37/70/437243770.db2.gz SPIYSZWQWODXAF-LBPRGKRZSA-N 0 0 338.437 0.865 10 0 ECAERN CCn1c(=O)n(CC(=O)Nc2cc(C)on2)nc1[C@H]1OCC[C@H]1C ZINC000328632978 437243895 /nfs/dbraw/zinc/24/38/95/437243895.db2.gz LRGYTNFJEAZRQA-RNCFNFMXSA-N 0 0 335.364 1.097 10 0 ECAERN CN(C[C@@H]1C[C@H](F)CN1c1cccnn1)C(=O)Nc1ccn(C)n1 ZINC000328651434 437245540 /nfs/dbraw/zinc/24/55/40/437245540.db2.gz VWXXCQZJEUXVRI-RYUDHWBXSA-N 0 0 333.371 1.291 10 0 ECAERN NC(=O)c1noc([C@@H]2CCCN2CC(=O)N2CCc3ccccc32)n1 ZINC000328656374 437249215 /nfs/dbraw/zinc/24/92/15/437249215.db2.gz ZGOBGNDZAWSCDT-ZDUSSCGKSA-N 0 0 341.371 0.895 10 0 ECAERN C[C@@H]1OCC[C@H]1NC(=O)[C@H]1CC[C@@H](C(=O)N[C@H]2CCO[C@H]2C)O1 ZINC000332996279 437257038 /nfs/dbraw/zinc/25/70/38/437257038.db2.gz DQFNLHHJWQTLFU-ARFNZGECSA-N 0 0 326.393 0.121 10 0 ECAERN Cc1cc(C(=O)CN2CCOC[C@@H]2C(N)=O)c(C)n1-c1nccs1 ZINC000179726073 437272902 /nfs/dbraw/zinc/27/29/02/437272902.db2.gz KREKXCFKDFGCND-CYBMUJFWSA-N 0 0 348.428 0.919 10 0 ECAERN CCNS(=O)(=O)N1CCN(Cc2cnn(-c3ccccc3)c2)CC1 ZINC000180119472 437280908 /nfs/dbraw/zinc/28/09/08/437280908.db2.gz DQSOZKFANWCYGH-UHFFFAOYSA-N 0 0 349.460 0.844 10 0 ECAERN CN(C(=O)NCCCn1ccnn1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000182494825 437353384 /nfs/dbraw/zinc/35/33/84/437353384.db2.gz FCMZIZMBCBBLAO-CQSZACIVSA-N 0 0 344.423 0.769 10 0 ECAERN COCCN1CCN(C(=O)NC[C@@H]2CC(=O)N(C3CC3)C2)C[C@@H]1C ZINC000181987186 437332427 /nfs/dbraw/zinc/33/24/27/437332427.db2.gz YAEWNWAEVIWFFG-KBPBESRZSA-N 0 0 338.452 0.359 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)NC[C@H]2CC(=O)N(C3CC3)C2)CC1 ZINC000182159489 437339707 /nfs/dbraw/zinc/33/97/07/437339707.db2.gz NNRCSJQWHBZJHH-HIFRSBDPSA-N 0 0 338.452 0.095 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)NCCNC(=O)c2ccco2)CC1 ZINC000184794971 437413107 /nfs/dbraw/zinc/41/31/07/437413107.db2.gz OVXYIPYBFLIOHL-CYBMUJFWSA-N 0 0 338.408 0.108 10 0 ECAERN COCC(=O)NC1CN(C[C@@H](O)c2ccccc2Br)C1 ZINC000185093446 437425355 /nfs/dbraw/zinc/42/53/55/437425355.db2.gz XLKXOCZQKOBFRE-CYBMUJFWSA-N 0 0 343.221 0.929 10 0 ECAERN COc1ccc(CN(C(=O)CN2C[C@@H](O)C[C@@H]2CO)C2CC2)cc1 ZINC000185184259 437430126 /nfs/dbraw/zinc/43/01/26/437430126.db2.gz NAJFYNMBQIOYDR-CVEARBPZSA-N 0 0 334.416 0.614 10 0 ECAERN COCC(=O)NC1CN(C(=O)Cc2cc(Cl)ccc2OC)C1 ZINC000185295758 437434964 /nfs/dbraw/zinc/43/49/64/437434964.db2.gz WAWNCCJSBPAJHE-UHFFFAOYSA-N 0 0 326.780 0.865 10 0 ECAERN C[C@@H]1CN(C(=O)c2ccc3nnn(C)c3c2)C[C@H]1N1CCOCC1 ZINC000185367790 437436863 /nfs/dbraw/zinc/43/68/63/437436863.db2.gz BQIMCANVCDDNMG-MLGOLLRUSA-N 0 0 329.404 0.761 10 0 ECAERN O=S(=O)(Cc1noc2ccccc12)N[C@H]1CCc2ncnn2C1 ZINC000185793324 437450540 /nfs/dbraw/zinc/45/05/40/437450540.db2.gz XBIQRJZLQGQORQ-JTQLQIEISA-N 0 0 333.373 0.854 10 0 ECAERN CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@@H]([NH+](C)C)C2)cc1 ZINC000186295892 437467171 /nfs/dbraw/zinc/46/71/71/437467171.db2.gz BTEZHROKPDTHIJ-CQSZACIVSA-N 0 0 339.461 0.690 10 0 ECAERN CNc1cc(N2CCC[C@H]2CNC(=O)NCC2(CCO)CC2)ncn1 ZINC000187347916 437500546 /nfs/dbraw/zinc/50/05/46/437500546.db2.gz YRXIOOHFWHOKJX-ZDUSSCGKSA-N 0 0 348.451 0.949 10 0 ECAERN COCCCN(CCO)C(=O)N[C@H]1CCc2nnc(C(C)C)n2C1 ZINC000187361925 437501220 /nfs/dbraw/zinc/50/12/20/437501220.db2.gz LOQKFIDAFNYBRY-ZDUSSCGKSA-N 0 0 339.440 0.757 10 0 ECAERN O=C(CNC(=O)c1cccc(F)c1)N1CC(NC(=O)C2CCC2)C1 ZINC000188469416 437552166 /nfs/dbraw/zinc/55/21/66/437552166.db2.gz XORDUYPVOYHXCN-UHFFFAOYSA-N 0 0 333.363 0.683 10 0 ECAERN CC(=O)NC1CN(C(=O)C2=NN(Cc3ccc(F)cc3)C(=O)CC2)C1 ZINC000190486538 437627507 /nfs/dbraw/zinc/62/75/07/437627507.db2.gz CSHIXMXTHCVHDV-UHFFFAOYSA-N 0 0 346.362 0.651 10 0 ECAERN CC(=O)NC1CN(C(=O)[C@H](C)CS(=O)(=O)c2ccc(F)cc2)C1 ZINC000190515281 437629178 /nfs/dbraw/zinc/62/91/78/437629178.db2.gz CXKAKRQVQPEPGY-SNVBAGLBSA-N 0 0 342.392 0.582 10 0 ECAERN CCOCCN1CCN(C(=O)C(=O)Nc2cccc(C)n2)C[C@@H]1C ZINC000193276715 437705157 /nfs/dbraw/zinc/70/51/57/437705157.db2.gz NIVUJVWTCYJKFU-AWEZNQCLSA-N 0 0 334.420 0.898 10 0 ECAERN CCOCCN1CCN(C(=O)C(=O)Nc2ccc(F)cn2)C[C@@H]1C ZINC000193276815 437707225 /nfs/dbraw/zinc/70/72/25/437707225.db2.gz FZOAUQNZVMJJCL-LBPRGKRZSA-N 0 0 338.383 0.728 10 0 ECAERN CCCCN1CCOC[C@@H]1C(=O)N1CC[C@@H](C)S(=O)(=O)CC1 ZINC000365309889 437891645 /nfs/dbraw/zinc/89/16/45/437891645.db2.gz PQJDDHOKVRRDCP-ZIAGYGMSSA-N 0 0 332.466 0.523 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)CC1 ZINC000365378709 437903806 /nfs/dbraw/zinc/90/38/06/437903806.db2.gz HSYOCMXFIMMCFY-HEHGZKQESA-N 0 0 341.477 0.356 10 0 ECAERN Cc1cc(C(=O)N[C@@H]2CC(=O)N(C)[C@H]2c2ccnn2C)nc(C)n1 ZINC000347761939 437952455 /nfs/dbraw/zinc/95/24/55/437952455.db2.gz AEYPSQLZAOBAHY-IAQYHMDHSA-N 0 0 328.376 0.529 10 0 ECAERN CCN1CCN(C2CCN(C(=O)[C@@H](O)c3cccnc3)CC2)C1=O ZINC000371764774 437988488 /nfs/dbraw/zinc/98/84/88/437988488.db2.gz HMKVNYJPSKLWNC-HNNXBMFYSA-N 0 0 332.404 0.864 10 0 ECAERN CC[C@H](C)C(=O)N1CCC[C@H](C(=O)N2CCC[C@](O)(C(N)=O)C2)C1 ZINC000367574793 438225842 /nfs/dbraw/zinc/22/58/42/438225842.db2.gz XFSOOBRYTBMQKU-GDZNZVCISA-N 0 0 339.436 0.110 10 0 ECAERN CC(=O)N[C@@H]1[C@H](OC(C)=O)C[C@@H](CF)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000575629028 438752303 /nfs/dbraw/zinc/75/23/03/438752303.db2.gz IIHVKSRJKCVISE-QRTUWBSPSA-N 0 0 347.339 0.276 10 0 ECAERN C[C@@H]1C(=O)NCCN1C(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000491077188 439330516 /nfs/dbraw/zinc/33/05/16/439330516.db2.gz SYDPJHAJIIZPFJ-NEPJUHHUSA-N 0 0 325.409 0.980 10 0 ECAERN Cc1nn(C)c(C)c1S(=O)(=O)N1CCOC[C@@H]1[C@H]1CCC[C@H]1O ZINC000583616375 439485688 /nfs/dbraw/zinc/48/56/88/439485688.db2.gz KOGCWXRSYHMSGH-MGPQQGTHSA-N 0 0 343.449 0.587 10 0 ECAERN O[C@]1(c2cn[nH]n2)CCCN(Cc2cnn(-c3ccccc3)n2)C1 ZINC000583617554 439489831 /nfs/dbraw/zinc/48/98/31/439489831.db2.gz SZCVTXBLVWOPKA-MRXNPFEDSA-N 0 0 325.376 0.869 10 0 ECAERN CNC(=O)[C@]1(COC)CCCN1S(=O)(=O)c1cc(C)oc1C ZINC000643704044 440272706 /nfs/dbraw/zinc/27/27/06/440272706.db2.gz IYERKHGZBJRPMH-CQSZACIVSA-N 0 0 330.406 0.812 10 0 ECAERN CCn1cc(O[C@@H]2CN(C(=O)c3cn(CC4CC4)nn3)C[C@H]2O)cn1 ZINC000628250303 440443770 /nfs/dbraw/zinc/44/37/70/440443770.db2.gz LMOSWJKVDIXOPM-HUUCEWRRSA-N 0 0 346.391 0.169 10 0 ECAERN CO[C@@H]1C[C@@H](c2ncc[nH]2)N(C(=O)Cn2nc3ccccn3c2=O)C1 ZINC000644117656 440446103 /nfs/dbraw/zinc/44/61/03/440446103.db2.gz IXGPTEUSPQAVEU-NEPJUHHUSA-N 0 0 342.359 0.208 10 0 ECAERN O=C(CN1CCCC[C@H](O)C1=O)NCC1(c2ccccn2)CCC1 ZINC000644478056 440615059 /nfs/dbraw/zinc/61/50/59/440615059.db2.gz DNLSSIJBKHBOPV-AWEZNQCLSA-N 0 0 331.416 0.993 10 0 ECAERN COC(C)(C)CNC(=O)N[C@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000173967872 320518349 /nfs/dbraw/zinc/51/83/49/320518349.db2.gz CLFMSLMEDDXIGI-LBPRGKRZSA-N 0 0 337.424 0.948 10 0 ECAERN CCCN(C(=O)NCCn1cc(C)cn1)[C@@H]1CCS(=O)(=O)C1 ZINC000180605522 320524617 /nfs/dbraw/zinc/52/46/17/320524617.db2.gz UYCOXBOUVDUPCW-CYBMUJFWSA-N 0 0 328.438 0.800 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)NCC(=O)N2CCCCC2)CC1 ZINC000184838121 320535477 /nfs/dbraw/zinc/53/54/77/320535477.db2.gz VOEMTQKRUDAPDA-CQSZACIVSA-N 0 0 326.441 0.097 10 0 ECAERN C[C@H](Sc1nncn1C)C(=O)N1CCN[C@@H](c2cccnc2)C1 ZINC000328657806 320725560 /nfs/dbraw/zinc/72/55/60/320725560.db2.gz PVEKXRKACBOYDL-WCQYABFASA-N 0 0 332.433 0.864 10 0 ECAERN C[C@@H]1CN(C(=O)[C@H]2COCCN2CC2CCC2)C[C@@H](C)S1(=O)=O ZINC000329666022 320783855 /nfs/dbraw/zinc/78/38/55/320783855.db2.gz QEEBLERGZYPQGE-UMVBOHGHSA-N 0 0 344.477 0.521 10 0 ECAERN COc1ccnc(N2CCC(C(=O)N3C[C@@H]4CC[C@@H](O)[C@@H]4C3)CC2)n1 ZINC000329721920 320786289 /nfs/dbraw/zinc/78/62/89/320786289.db2.gz CEKUIJYWOWJNFR-RRFJBIMHSA-N 0 0 346.431 0.931 10 0 ECAERN C[C@@H]1[C@H](N2CCOCC2)CCN1c1ccc(S(C)(=O)=O)cn1 ZINC000329724312 320786811 /nfs/dbraw/zinc/78/68/11/320786811.db2.gz NXYAPWPLBPOODO-TZMCWYRMSA-N 0 0 325.434 0.785 10 0 ECAERN Cc1nc(CN2CCN(C(=O)C[C@H](C)N3CCCCC3=O)CC2)no1 ZINC000329922571 320796006 /nfs/dbraw/zinc/79/60/06/320796006.db2.gz IBLUCPHYKURNAZ-ZDUSSCGKSA-N 0 0 349.435 0.813 10 0 ECAERN O=C(N1CC(n2cc(-c3ccccc3)nn2)C1)C1(O)CCOCC1 ZINC000330109538 320805130 /nfs/dbraw/zinc/80/51/30/320805130.db2.gz PHMRQKLPBFHMQU-UHFFFAOYSA-N 0 0 328.372 0.870 10 0 ECAERN CCc1[nH]n(C)c2nnc(NC(=O)c3cn([C@H]4CCOC4)nn3)c1-2 ZINC000330107265 320805164 /nfs/dbraw/zinc/80/51/64/320805164.db2.gz LWMWAPVZBZXRPT-QMMMGPOBSA-N 0 0 330.352 0.664 10 0 ECAERN O=C([C@H]1CC(=O)N(c2cn[nH]c2)C1)N1CCO[C@H](COCC2CC2)C1 ZINC000330183038 320809474 /nfs/dbraw/zinc/80/94/74/320809474.db2.gz PLYQBSGQVJHXRK-ZFWWWQNUSA-N 0 0 348.403 0.417 10 0 ECAERN CC(C)(CNC(=O)c1ncncc1Cl)N1CCS(=O)CC1 ZINC000330190792 320809987 /nfs/dbraw/zinc/80/99/87/320809987.db2.gz MRDXULYRWMMOAY-UHFFFAOYSA-N 0 0 330.841 0.703 10 0 ECAERN COC[C@@H]1C[C@H](OC)CN1C(=O)Cn1nnc(-c2ccc(C)cc2)n1 ZINC000348415211 321274299 /nfs/dbraw/zinc/27/42/99/321274299.db2.gz NDFNSLOLNDVVDX-GJZGRUSLSA-N 0 0 345.403 0.911 10 0 ECAERN COC(=O)[C@@]1(C)CCN(C(=O)N[C@@H]2CCCC[C@H]2S(C)(=O)=O)C1 ZINC000368220350 321717659 /nfs/dbraw/zinc/71/76/59/321717659.db2.gz FMUHTKYHKAEAAJ-JMSVASOKSA-N 0 0 346.449 0.937 10 0 ECAERN Cc1cc(N2CCC[C@H](NC(=O)NCCn3ccnc3)C2=O)n(C)n1 ZINC000174034708 533896827 /nfs/dbraw/zinc/89/68/27/533896827.db2.gz DMDVBHLELNGKDY-ZDUSSCGKSA-N 0 0 345.407 0.420 10 0 ECAERN C[C@@H](CS(C)(=O)=O)NC(=O)N1CCC(Cn2cccn2)CC1 ZINC000172590740 534186738 /nfs/dbraw/zinc/18/67/38/534186738.db2.gz WRSSTKHASFSRGP-LBPRGKRZSA-N 0 0 328.438 0.738 10 0 ECAERN Cc1ccc([C@@H](CNC(=O)NCCC(N)=O)N2CCOCC2)s1 ZINC000178512385 534218568 /nfs/dbraw/zinc/21/85/68/534218568.db2.gz SLUXETWRVFHAGP-GFCCVEGCSA-N 0 0 340.449 0.604 10 0 ECAERN NC(=O)[C@H]1COCCN1C[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000179729112 534462619 /nfs/dbraw/zinc/46/26/19/534462619.db2.gz ALJCRJJTHNUZHV-DGCLKSJQSA-N 0 0 348.321 0.631 10 0 ECAERN O=C(NC[C@H](O)CN1CCOCC1)c1c[nH]nc1-c1ccccc1F ZINC000132451449 534625999 /nfs/dbraw/zinc/62/59/99/534625999.db2.gz AXYYRWWPPUUICL-LBPRGKRZSA-N 0 0 348.378 0.639 10 0 ECAERN Cc1csc(=O)n1CCC(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000173837646 534768797 /nfs/dbraw/zinc/76/87/97/534768797.db2.gz KBXDFHYMUAXPQE-GXTWGEPZSA-N 0 0 339.461 0.787 10 0 ECAERN CC(=O)NC1CN(C(=O)C(=O)Nc2ccc3oc(C4CC4)nc3c2)C1 ZINC000191348276 526705168 /nfs/dbraw/zinc/70/51/68/526705168.db2.gz MLYSOOGGYIVPMI-UHFFFAOYSA-N 0 0 342.355 0.991 10 0 ECAERN CC(=O)NCCCNC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccc(F)cc1 ZINC000129842191 526743495 /nfs/dbraw/zinc/74/34/95/526743495.db2.gz VWINIHHUXIJKMC-ZBFHGGJFSA-N 0 0 335.379 0.988 10 0 ECAERN CCN(C)C(=O)CNC(=O)N1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC000186193513 527710302 /nfs/dbraw/zinc/71/03/02/527710302.db2.gz KJWXTQRPGRMMBQ-CQSZACIVSA-N 0 0 336.440 0.795 10 0 ECAERN COCCN1CCN(CC(=O)NCc2ccc(OC)cc2)C[C@H]1C ZINC000105832276 545738561 /nfs/dbraw/zinc/73/85/61/545738561.db2.gz PYIDZFLEZDBGEK-OAHLLOKOSA-N 0 0 335.448 0.964 10 0 ECAERN O=C(N[C@@H]1CCN(C(=O)C2CCCC2)C1)N[C@H]1CCc2ncnn2C1 ZINC000130658314 545787608 /nfs/dbraw/zinc/78/76/08/545787608.db2.gz GJMUQZZXBNESGB-UONOGXRCSA-N 0 0 346.435 0.683 10 0 ECAERN CN1CC[C@@H](NS(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)CC1=O ZINC000192860300 545911574 /nfs/dbraw/zinc/91/15/74/545911574.db2.gz BFJRNFFWNILLCQ-OZVIIMIRSA-N 0 0 342.461 0.922 10 0 ECAERN CO[C@@H]1CN(CC(=O)NCc2ccc(C)c(F)c2)C[C@H]1c1c[nH]nn1 ZINC000621321722 546505247 /nfs/dbraw/zinc/50/52/47/546505247.db2.gz WGZVXWFIDQQTPX-XJKSGUPXSA-N 0 0 347.394 0.983 10 0 ECAERN C[C@H](C(=O)N1C[C@H]2OCCN(C)[C@@H]2C1)N1C(=O)c2ccccc2C1=O ZINC000675503107 548737757 /nfs/dbraw/zinc/73/77/57/548737757.db2.gz ZZYRAZQEGMTQPV-KCPJHIHWSA-N 0 0 343.383 0.213 10 0 ECAERN [NH3+][C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-] ZINC000005273981 571688703 /nfs/dbraw/zinc/68/87/03/571688703.db2.gz JAQGKXUEKGKTKX-CVEARBPZSA-N 0 0 344.367 0.780 10 0 endogenous,in-man ECAERN CSc1c2nc3c(=O)nc(N)nc-3[nH]c2sc1[C@H](O)CO ZINC000014826093 571725532 /nfs/dbraw/zinc/72/55/32/571725532.db2.gz RPUOVNROVSNPBD-GSVOUGTGSA-N 0 0 325.375 0.258 10 0 endogenous,in-man ECAERN Cc1c(C(=O)N[C@H]2C[C@@H](O)[C@@H]2n2cccn2)nnn1-c1ccccc1 ZINC000888077009 586245950 /nfs/dbraw/zinc/24/59/50/586245950.db2.gz CLFBHXDGQNSSDR-SQWLQELKSA-N 0 0 338.371 0.877 10 0 ECAERN Cc1nc(C)c(C(=O)N[C@H]2COC[C@H]2Oc2cnn(C)c2)nc1C ZINC000888093575 586348451 /nfs/dbraw/zinc/34/84/51/586348451.db2.gz HXQXUBRELNRXCG-UONOGXRCSA-N 0 0 331.376 0.712 10 0 ECAERN Cc1cc(C(=O)N[C@H]2COC[C@H]2Oc2cnn(C)c2)c2nccn2c1 ZINC000888095337 586349632 /nfs/dbraw/zinc/34/96/32/586349632.db2.gz YJVBSJOYNWDWOC-LSDHHAIUSA-N 0 0 341.371 0.952 10 0 ECAERN CNC(=O)[C@H]1CC(=O)N(C2CN(c3cc(C)nc(C4CC4)n3)C2)C1 ZINC000888098725 586350012 /nfs/dbraw/zinc/35/00/12/586350012.db2.gz KTIPUQNBIHOGLH-LBPRGKRZSA-N 0 0 329.404 0.446 10 0 ECAERN Cc1noc([C@]2(O)CCN([C@@H]3CCC4(C[C@@H]3F)OCCO4)C2)n1 ZINC000894488615 586396742 /nfs/dbraw/zinc/39/67/42/586396742.db2.gz DKMPOUYEQSUJGN-SCRDCRAPSA-N 0 0 327.356 0.905 10 0 ECAERN C[C@@H](NC(=O)C1CN(S(C)(=O)=O)C1)c1ccc2c(c1)OCCO2 ZINC000899976365 586516426 /nfs/dbraw/zinc/51/64/26/586516426.db2.gz UWFJLARPLLPMTQ-SNVBAGLBSA-N 0 0 340.401 0.526 10 0 ECAERN CCn1cnnc1[C@H]1CN(C(=O)CNC(=O)N2CCCC2)CCO1 ZINC000907564834 586735906 /nfs/dbraw/zinc/73/59/06/586735906.db2.gz WWGMAGFXWLYXPT-GFCCVEGCSA-N 0 0 336.396 0.003 10 0 ECAERN Cc1nnc2n1C[C@H](C(N)=O)N(C(=O)c1ccc(C)c3c1CCC3)C2 ZINC000818346599 587423959 /nfs/dbraw/zinc/42/39/59/587423959.db2.gz FPPSZHUHDNZDRO-OAHLLOKOSA-N 0 0 339.399 0.894 10 0 ECAERN CCn1cc(O[C@@H]2COC[C@@H]2NC(=O)COCc2ccnn2C)cn1 ZINC000818598878 587440049 /nfs/dbraw/zinc/44/00/49/587440049.db2.gz WRLKSSHICZRSQI-LSDHHAIUSA-N 0 0 349.391 0.116 10 0 ECAERN NC(=O)c1cc(N2CCCCC2)ccc1NC(=O)[C@@H]1CNC(=O)C1 ZINC000121590514 589173460 /nfs/dbraw/zinc/17/34/60/589173460.db2.gz ZPRVETFYUNOFIE-NSHDSACASA-N 0 0 330.388 0.850 10 0 ECAERN Cc1cnn(C[C@H]2CN(CN3CC(=O)N(C(C)C)C3=O)CCO2)c1 ZINC000112071989 589576871 /nfs/dbraw/zinc/57/68/71/589576871.db2.gz WGVNGGXKJZPOOR-CQSZACIVSA-N 0 0 335.408 0.522 10 0 ECAERN CS(=O)(=O)N[C@@H]1CCN(S(=O)(=O)/C=C/c2ccccc2)C1 ZINC000116904450 589708808 /nfs/dbraw/zinc/70/88/08/589708808.db2.gz WMDASOHMFVIYFC-AORWBKJGSA-N 0 0 330.431 0.611 10 0 ECAERN Cc1c([C@H]2CN(C(=O)C3=C(C)OCCC3)C[C@@H]2C(N)=O)cnn1C ZINC000857818103 589710859 /nfs/dbraw/zinc/71/08/59/589710859.db2.gz PUMZXVCURPAMTQ-CABCVRRESA-N 0 0 332.404 0.840 10 0 ECAERN CCn1c(C2CC2)nn(CN2C[C@@H](C)O[C@H](C(N)=O)C2)c1=S ZINC000120184262 590094305 /nfs/dbraw/zinc/09/43/05/590094305.db2.gz HNFXWPCSFYILIK-KOLCDFICSA-N 0 0 325.438 0.843 10 0 ECAERN CN(C)c1nc([C@@H]2CCN(C(=O)CCc3cncn3C)C2)cc(=O)[nH]1 ZINC000864837985 590109396 /nfs/dbraw/zinc/10/93/96/590109396.db2.gz SOQSGWUNXJOVCG-GFCCVEGCSA-N 0 0 344.419 0.930 10 0 ECAERN O=C(OCCOc1cncc(Br)c1)[C@H]1CNC(=O)C1 ZINC000124084668 590117216 /nfs/dbraw/zinc/11/72/16/590117216.db2.gz RQTFIGPJBMIIJE-MRVPVSSYSA-N 0 0 329.150 0.902 10 0 ECAERN Cc1nc(C[C@H]2CCCN(Cn3nc4cnccn4c3=O)C2)no1 ZINC000132390992 590634074 /nfs/dbraw/zinc/63/40/74/590634074.db2.gz MQMAYMDLRPPFOM-GFCCVEGCSA-N 0 0 329.364 0.495 10 0 ECAERN CCOC(=O)c1cnn(CN2CCO[C@@H](Cn3cc(C)cn3)C2)c1 ZINC000133131962 590682774 /nfs/dbraw/zinc/68/27/74/590682774.db2.gz BXMONBQJUBUZDQ-OAHLLOKOSA-N 0 0 333.392 0.923 10 0 ECAERN O=C1N[C@@H](Cc2cn(CCO)nn2)C(=O)N1C/C=C\c1ccccc1 ZINC000886054671 590788756 /nfs/dbraw/zinc/78/87/56/590788756.db2.gz FVJKGWUDBYAEHL-QZDDGCDVSA-N 0 0 341.371 0.447 10 0 ECAERN CO[C@H]1CCCCN(CC(=O)N2CCN(c3nccn3C)CC2)C1=O ZINC000886074730 590790794 /nfs/dbraw/zinc/79/07/94/590790794.db2.gz RSXGNIXGJLSLDA-AWEZNQCLSA-N 0 0 349.435 0.096 10 0 ECAERN Cn1ccnc1[C@@H]1[C@@H](C(=O)N2CC(=O)N(C3CC3)C2)CCC(=O)N1C ZINC000886078184 590791759 /nfs/dbraw/zinc/79/17/59/590791759.db2.gz PLAXVJXUHXSHBT-WFASDCNBSA-N 0 0 345.403 0.120 10 0 ECAERN CCN1CCO[C@@H](CNc2nccn3cnnc23)[C@@H]1c1ccnn1C ZINC000886080334 590792399 /nfs/dbraw/zinc/79/23/99/590792399.db2.gz XKNJTTMQPVFXSY-KBPBESRZSA-N 0 0 342.407 0.732 10 0 ECAERN Cn1cnnc1C[C@@]1(O)CCCN(C(=O)COc2ccccc2)C1 ZINC000886084795 590792513 /nfs/dbraw/zinc/79/25/13/590792513.db2.gz HVCPRRQGQWNGNX-KRWDZBQOSA-N 0 0 330.388 0.790 10 0 ECAERN Cn1ccnc1[C@H]1[C@H](NC(=O)Cn2cccn2)CCC(=O)N1C1CC1 ZINC000886085001 590793542 /nfs/dbraw/zinc/79/35/42/590793542.db2.gz SOKBUJCNCNELML-CZUORRHYSA-N 0 0 342.403 0.628 10 0 ECAERN Cn1ccnc1[C@@H]1[C@@H](C(=O)N2CC(=O)N(C)C2)CCC(=O)N1C1CC1 ZINC000886089095 590793565 /nfs/dbraw/zinc/79/35/65/590793565.db2.gz XJNSFCMQIDOZAH-WFASDCNBSA-N 0 0 345.403 0.120 10 0 ECAERN Cn1ccnc1[C@@H]1[C@@H](CNC(=O)c2cncn2C)CCC(=O)N1C ZINC000886085337 590794043 /nfs/dbraw/zinc/79/40/43/590794043.db2.gz FBFOARBEWAVZFP-RISCZKNCSA-N 0 0 330.392 0.493 10 0 ECAERN CN1CCN(C[C@H]2CCCS2(=O)=O)C[C@@H]1c1nc(C2CC2)no1 ZINC000930392585 611418881 /nfs/dbraw/zinc/41/88/81/611418881.db2.gz HSMYHXZTXTYOPE-CHWSQXEVSA-N 0 0 340.449 0.813 10 0 ECAERN CCn1cc(C(=O)N[C@@H]2CC(=O)N(C3CC3)[C@H]2c2cccnc2)nn1 ZINC000935906276 611415143 /nfs/dbraw/zinc/41/51/43/611415143.db2.gz PABYHIROEJSVFR-CJNGLKHVSA-N 0 0 340.387 0.927 10 0 ECAERN Cc1nn(C)cc1NC(=O)[C@@H](C)NC1=NS(=O)(=O)c2ccccc21 ZINC000187655343 608605728 /nfs/dbraw/zinc/60/57/28/608605728.db2.gz OKKXQQIWQQHKCR-SNVBAGLBSA-N 0 0 347.400 0.794 10 0 ECAERN CNC(=O)[C@H](NC(=O)C(=O)Nc1cnc(Cl)c(C)c1)C(C)C ZINC000179079950 608904222 /nfs/dbraw/zinc/90/42/22/608904222.db2.gz DTIFFCNIYWPJMQ-SNVBAGLBSA-N 0 0 326.784 0.869 10 0 ECAERN Cn1c2[nH]c(CCC(=O)N3CCCCCC3)nc2c(=O)n(C)c1=O ZINC000222725632 609106259 /nfs/dbraw/zinc/10/62/59/609106259.db2.gz SKUPMHJTNAMUNY-UHFFFAOYSA-N 0 0 333.392 0.296 10 0 ECAERN CN(C)C(=O)c1cccc(C(=O)N[C@@H]2C[C@@H](O)[C@@H]2n2cccn2)c1 ZINC000909171140 609683996 /nfs/dbraw/zinc/68/39/96/609683996.db2.gz XWWHQXCBGMZUBK-RBSFLKMASA-N 0 0 328.372 0.689 10 0 ECAERN Cc1cc(C)n(C[C@H]2CN(C(=O)C3(O)CCSCC3)CCO2)n1 ZINC000163947599 609696001 /nfs/dbraw/zinc/69/60/01/609696001.db2.gz NAQTWCSXOVZDGT-CQSZACIVSA-N 0 0 339.461 0.985 10 0 ECAERN Cc1cc2c(nc(N(C)C)nc2N2CCN(S(C)(=O)=O)CC2)[nH]1 ZINC000223896286 609715588 /nfs/dbraw/zinc/71/55/88/609715588.db2.gz PSHMHLJFBVUWAT-UHFFFAOYSA-N 0 0 338.437 0.414 10 0 ECAERN O=c1n(CN2CCO[C@@H](c3nccs3)C2)nnn1-c1ccccc1 ZINC000152226585 609840328 /nfs/dbraw/zinc/84/03/28/609840328.db2.gz HOWLXSZRPPVHHU-CYBMUJFWSA-N 0 0 344.400 0.917 10 0 ECAERN CCOc1ccccc1N1C[C@H](C(=O)N2CCOC[C@H]2CO)CC1=O ZINC000912427427 609958305 /nfs/dbraw/zinc/95/83/05/609958305.db2.gz KQOYLZQSQIRBFE-ZIAGYGMSSA-N 0 0 348.399 0.658 10 0 ECAERN O=C(COc1cccc(N2CCCC2=O)c1)N1CCOC[C@@H]1CO ZINC000912427952 609958932 /nfs/dbraw/zinc/95/89/32/609958932.db2.gz OYNODFWCRLITOC-AWEZNQCLSA-N 0 0 334.372 0.412 10 0 ECAERN CN1C(=O)CN(CN2CCN(C[C@@H](O)c3ccccc3)CC2)C1=O ZINC000182282567 610284483 /nfs/dbraw/zinc/28/44/83/610284483.db2.gz GTJCKIQFAMICJH-OAHLLOKOSA-N 0 0 332.404 0.189 10 0 ECAERN Cc1nn(C)c(C)c1CN1CCN(CN2CC(=O)N(C)C2=O)CC1 ZINC000182282639 610284488 /nfs/dbraw/zinc/28/44/88/610284488.db2.gz XYYXJIIKQQDHSJ-UHFFFAOYSA-N 0 0 334.424 0.006 10 0 ECAERN O=C(NCc1cccnc1)[C@@H]1CN(c2ncnc3[nH]ccc32)CCN1 ZINC000072156462 610689525 /nfs/dbraw/zinc/68/95/25/610689525.db2.gz NBLMBKVCMUJWEC-AWEZNQCLSA-N 0 0 337.387 0.448 10 0 ECAERN C[C@@H](NC(=O)c1ccco1)C(=O)NNC(=O)NCc1ccccc1 ZINC000190911712 611879115 /nfs/dbraw/zinc/87/91/15/611879115.db2.gz FOOSULJFOHDKQJ-LLVKDONJSA-N 0 0 330.344 0.929 10 0 ECAERN CC[C@H]1CN(CN2C(=O)N[C@@](C)(C3CC3)C2=O)CC[N@@H+]1CCOC ZINC000247136985 612824776 /nfs/dbraw/zinc/82/47/76/612824776.db2.gz PBIQCLJFMZGTCP-YOEHRIQHSA-N 0 0 338.452 0.707 10 0 ECAERN O=S1(=O)CCNC[C@H]1CCNc1nnc(C(F)(F)F)s1 ZINC000721813422 745715236 /nfs/dbraw/zinc/71/52/36/745715236.db2.gz LGHBUWJNSDGORF-ZCFIWIBFSA-N 0 0 330.357 0.746 10 0 ECAERN CC[C@H](COC)NC(=O)N[C@@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000173257520 529395779 /nfs/dbraw/zinc/39/57/79/529395779.db2.gz SQHSTRVROGUUNO-CHWSQXEVSA-N 0 0 337.424 0.948 10 0 ECAERN O=C(NCCNC(=O)N1CCC[C@H](n2cncn2)C1)c1cccnc1 ZINC000173836353 231047870 /nfs/dbraw/zinc/04/78/70/231047870.db2.gz MAKMAQLNUHBSTA-AWEZNQCLSA-N 0 0 343.391 0.450 10 0 ECAERN Cc1nnc(S(=O)(=O)CCOCCC(C)C)n1CC(=O)N(C)C ZINC000058159899 214486895 /nfs/dbraw/zinc/48/68/95/214486895.db2.gz AUURVHLCSUUYHA-UHFFFAOYSA-N 0 0 346.453 0.511 10 0 ECAERN COCCS(=O)(=O)NC[C@H](c1ccc(C)s1)N1CCOCC1 ZINC000175216154 231406303 /nfs/dbraw/zinc/40/63/03/231406303.db2.gz PHCKUDDJVSMOGO-CYBMUJFWSA-N 0 0 348.490 0.996 10 0 ECAERN O=C(CNC(=O)c1cc(F)cc(F)c1)N[C@@H]1CCCn2ncnc21 ZINC000175823310 231517609 /nfs/dbraw/zinc/51/76/09/231517609.db2.gz FOYDFBQZWAJDEV-GFCCVEGCSA-N 0 0 335.314 0.937 10 0 ECAERN CCc1nnc([C@H]2CN(C(=O)C(=O)Nc3ccccc3)CCO2)[nH]1 ZINC000173611986 529700893 /nfs/dbraw/zinc/70/08/93/529700893.db2.gz HHULYHUVAQRUQS-GFCCVEGCSA-N 0 0 329.360 0.906 10 0 ECAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCNC(=O)[C@H]1C(C)C ZINC000153130988 529749704 /nfs/dbraw/zinc/74/97/04/529749704.db2.gz KOUMCGACSFVHHG-WCQYABFASA-N 0 0 334.424 0.841 10 0 ECAERN CN1CCO[C@H](CNC(=O)c2ccc(=O)n(-c3ccccc3F)n2)C1 ZINC000130846447 529789749 /nfs/dbraw/zinc/78/97/49/529789749.db2.gz IOQGSIQONYKYEU-GFCCVEGCSA-N 0 0 346.362 0.432 10 0 ECAERN COc1ccc([C@@H]2CC(=O)N(CN3CCOCC3)C2=O)c(OC)c1 ZINC000101111792 219116248 /nfs/dbraw/zinc/11/62/48/219116248.db2.gz DFWUQMJBLDFCGQ-AWEZNQCLSA-N 0 0 334.372 0.836 10 0 ECAERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1cc(F)c(F)cc1F ZINC000166873995 529901602 /nfs/dbraw/zinc/90/16/02/529901602.db2.gz SMIOPKKWSITBTK-NSHDSACASA-N 0 0 329.278 0.779 10 0 ECAERN CNC(=O)[C@@H]1CCCN1C(=O)NCC[S@](=O)Cc1ccccc1 ZINC000158702370 529902100 /nfs/dbraw/zinc/90/21/00/529902100.db2.gz WYFJMOWTBIQFNF-LFVRLGFBSA-N 0 0 337.445 0.855 10 0 ECAERN CNC(=O)[C@H]1CCCN1C(=O)NCC[S@](=O)Cc1ccccc1 ZINC000158702503 529923624 /nfs/dbraw/zinc/92/36/24/529923624.db2.gz WYFJMOWTBIQFNF-QKFKETGDSA-N 0 0 337.445 0.855 10 0 ECAERN COc1cccc(-c2nnnn2[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3NC(C)=O)c1 ZINC000004270620 210157079 /nfs/dbraw/zinc/15/70/79/210157079.db2.gz RZNXFOHXCMBTQA-BYNSBNAKSA-N 0 0 345.359 0.192 10 0 ECAERN CN1C(=O)CC[C@H](C(=O)NC[C@]2(O)CCOC2)[C@H]1c1ccccc1 ZINC000178950171 530041801 /nfs/dbraw/zinc/04/18/01/530041801.db2.gz XDVISEDRYQVTSL-YXJHDRRASA-N 0 0 332.400 0.864 10 0 ECAERN Cc1sc2ncc(C(=O)N[C@H]3CCc4ncnn4C3)c(=O)n2c1C ZINC000180708812 282487606 /nfs/dbraw/zinc/48/76/06/282487606.db2.gz TXJAKBXLOSFLIA-JTQLQIEISA-N 0 0 344.400 0.709 10 0 ECAERN CC(C)Cc1ncc2c(n1)CN(c1cc(NCCO)nc(N)n1)C2 ZINC000067641821 215172381 /nfs/dbraw/zinc/17/23/81/215172381.db2.gz FTMDMFHPPNRSMN-UHFFFAOYSA-N 0 0 329.408 0.972 10 0 ECAERN CN1C(=O)C[C@H](C(=O)NC[C@@]2(O)CCOC2)[C@@H]1c1ccc(F)cc1 ZINC000247989688 282641109 /nfs/dbraw/zinc/64/11/09/282641109.db2.gz IYHNMKQYHCRYOZ-QRTARXTBSA-N 0 0 336.363 0.613 10 0 ECAERN C[C@@H](NC(=O)[C@H]1CSC(=O)N1)c1ccc(S(N)(=O)=O)cc1 ZINC000040378485 213293536 /nfs/dbraw/zinc/29/35/36/213293536.db2.gz DXZSIVWCBACUEH-GMSGAONNSA-N 0 0 329.403 0.336 10 0 ECAERN C=CC(=O)NCc1nc2ccccc2n1CC(=O)N1CCOCC1 ZINC000040194141 213280597 /nfs/dbraw/zinc/28/05/97/213280597.db2.gz BELYCGQQZGXATN-UHFFFAOYSA-N 0 0 328.372 0.697 10 0 ECAERN CC(=O)NCCc1nc2ccccc2n1CC(=O)N1CCOCC1 ZINC000040197603 213281017 /nfs/dbraw/zinc/28/10/17/213281017.db2.gz NMYUIGDLPPNLHM-UHFFFAOYSA-N 0 0 330.388 0.574 10 0 ECAERN COC[C@H](C)S(=O)(=O)N(C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000128391484 222944951 /nfs/dbraw/zinc/94/49/51/222944951.db2.gz MIVGRFRIPIGZAQ-QWHCGFSZSA-N 0 0 328.438 0.742 10 0 ECAERN O=C(NC1CN(S(=O)(=O)c2cnn(-c3ccccc3)c2)C1)C1CC1 ZINC000187916856 236339449 /nfs/dbraw/zinc/33/94/49/236339449.db2.gz SOYPOGZHKKZLBE-UHFFFAOYSA-N 0 0 346.412 0.771 10 0 ECAERN O=C(CCn1cnc2sccc2c1=O)N1CC(NC(=O)C2CC2)C1 ZINC000189398492 236865775 /nfs/dbraw/zinc/86/57/75/236865775.db2.gz NAOCKMXERFJGKJ-UHFFFAOYSA-N 0 0 346.412 0.585 10 0 ECAERN Cc1cc(NC(=O)CSc2nc3ccccc3c(=O)n2N)n[nH]1 ZINC000072328603 216152910 /nfs/dbraw/zinc/15/29/10/216152910.db2.gz KYDPPHQDTJXCOF-UHFFFAOYSA-N 0 0 330.373 0.873 10 0 ECAERN COC(=O)c1cc2c(nc1N)n(Cc1ccccc1)c(=O)[nH]c2=O ZINC000072417089 216206383 /nfs/dbraw/zinc/20/63/83/216206383.db2.gz CCBYGSMFYDXHPM-UHFFFAOYSA-N 0 0 326.312 0.914 10 0 ECAERN Cn1cnc(CNC(=O)N2CCN(C[C@@H](O)c3ccccc3)CC2)n1 ZINC000130393353 223149423 /nfs/dbraw/zinc/14/94/23/223149423.db2.gz AWLDSTZKYDSETM-OAHLLOKOSA-N 0 0 344.419 0.376 10 0 ECAERN O=C(Nc1ccccc1-n1ccnn1)C(=O)N[C@H]1CCCC[C@@H]1CO ZINC000130586767 223163502 /nfs/dbraw/zinc/16/35/02/223163502.db2.gz CWGFMCBKIVDXAG-OLZOCXBDSA-N 0 0 343.387 0.873 10 0 ECAERN Cc1cc(N2CCC[C@@H](NC(=O)Cc3cc(C)on3)C2=O)n(C)n1 ZINC000072539917 216270016 /nfs/dbraw/zinc/27/00/16/216270016.db2.gz SWKVSSZZRIEWPQ-CYBMUJFWSA-N 0 0 331.376 0.879 10 0 ECAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccnc2ccnn21 ZINC000108719221 219914102 /nfs/dbraw/zinc/91/41/02/219914102.db2.gz ZFNYZJWZBNPIIH-LLVKDONJSA-N 0 0 337.405 0.872 10 0 ECAERN Cc1cnn(C[C@@H]2CN(C(=O)C(=O)Nc3cccc(C)n3)CCO2)c1 ZINC000193233090 240070133 /nfs/dbraw/zinc/07/01/33/240070133.db2.gz LSEORBALTQDGCE-AWEZNQCLSA-N 0 0 343.387 0.761 10 0 ECAERN Cc1nc(N2CCOCC2)nc(C)c1NC(=O)COc1ncccn1 ZINC000224301377 241749017 /nfs/dbraw/zinc/74/90/17/241749017.db2.gz WPSGMXJZROHRDN-UHFFFAOYSA-N 0 0 344.375 0.738 10 0 ECAERN C[N@@H+](CC(=O)[O-])C[C@H]1CN(C(=O)[C@@H]2Cc3ccccc3O2)CCO1 ZINC000262979077 245282788 /nfs/dbraw/zinc/28/27/88/245282788.db2.gz TXNSILSGIDXAEE-ZFWWWQNUSA-N 0 0 334.372 0.234 10 0 ECAERN CCS(=O)(=O)CCNC(=O)N1CCC[C@@H](n2cc(C)cn2)C1 ZINC000111750237 220188000 /nfs/dbraw/zinc/18/80/00/220188000.db2.gz DIQYKKXSKSGGFG-CYBMUJFWSA-N 0 0 328.438 0.973 10 0 ECAERN NC(=O)CN1CCC(C(=O)N[C@@H](c2cccnc2)C(F)(F)F)CC1 ZINC000091551112 218021587 /nfs/dbraw/zinc/02/15/87/218021587.db2.gz YGCWKCRCZUEHMY-ZDUSSCGKSA-N 0 0 344.337 0.999 10 0 ECAERN Cc1nn(CC(C)C)c(C)c1CCC(=O)N1CCOC[C@H]1C(N)=O ZINC000091781188 218065591 /nfs/dbraw/zinc/06/55/91/218065591.db2.gz XMCUDLYOMLVMRC-HNNXBMFYSA-N 0 0 336.436 0.801 10 0 ECAERN NC(=O)[C@@H]1COCCN1C(=O)CCCOc1ccc(F)cc1F ZINC000091783094 218065938 /nfs/dbraw/zinc/06/59/38/218065938.db2.gz GKIFRMJDEOZQIS-LBPRGKRZSA-N 0 0 328.315 0.837 10 0 ECAERN NC(=O)[C@@H]1COCCN1CC(=O)NCCc1nc2ccccc2s1 ZINC000092229961 218127591 /nfs/dbraw/zinc/12/75/91/218127591.db2.gz LFERWBJGKGFFBU-LBPRGKRZSA-N 0 0 348.428 0.141 10 0 ECAERN CCOC(=O)N1CCN(C(=O)Cn2c3ccccc3oc2=O)CC1 ZINC000008476900 210955873 /nfs/dbraw/zinc/95/58/73/210955873.db2.gz HMHUGUKYHJEUAK-UHFFFAOYSA-N 0 0 333.344 0.895 10 0 ECAERN C[C@H](Oc1ccc(F)cc1Cl)C(=O)N1CCOC[C@@H]1C(N)=O ZINC000091780629 207587900 /nfs/dbraw/zinc/58/79/00/207587900.db2.gz FJZIVYLZWKVKEA-GZMMTYOYSA-N 0 0 330.743 0.959 10 0 ECAERN CNC(=O)[C@H](NC(=O)CNC(=O)c1cccc(Cl)c1)C(C)C ZINC000179127861 207694922 /nfs/dbraw/zinc/69/49/22/207694922.db2.gz CTTGXKFYJGUUQT-CYBMUJFWSA-N 0 0 325.796 0.957 10 0 ECAERN CC(=O)O[C@]1(C)C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1 ZINC000005752152 210529882 /nfs/dbraw/zinc/52/98/82/210529882.db2.gz UFDHNJJHPSGMFX-SQUSCZTCSA-N 0 0 339.388 0.727 10 0 ECAERN COC(=O)[C@@H]1C[C@@H]1C(=O)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000171558925 533048777 /nfs/dbraw/zinc/04/87/77/533048777.db2.gz SYZKOXJISMVQAR-XHSDSOJGSA-N 0 0 332.400 0.673 10 0 ECAERN O=C(CCCNC(=O)c1ccccc1)N[C@@H]1CCc2ncnn2C1 ZINC000112650214 220364345 /nfs/dbraw/zinc/36/43/45/220364345.db2.gz FJAHXYOOOGLJBX-CQSZACIVSA-N 0 0 327.388 0.919 10 0 ECAERN COC[C@H](C)S(=O)(=O)N1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC000117925067 221100637 /nfs/dbraw/zinc/10/06/37/221100637.db2.gz RRCVXEHIMBPEEM-FZMZJTMJSA-N 0 0 330.454 0.972 10 0 ECAERN Cc1cnn(CCNC(=O)CNS(=O)(=O)c2cccs2)c1 ZINC000117812297 221092374 /nfs/dbraw/zinc/09/23/74/221092374.db2.gz RGBWBGILRDLAIS-UHFFFAOYSA-N 0 0 328.419 0.348 10 0 ECAERN CC(=O)Nc1cccc(NC(=O)C(=O)NCCn2cc(C)cn2)c1 ZINC000118133693 221128646 /nfs/dbraw/zinc/12/86/46/221128646.db2.gz UWRHFKIQODJBNT-UHFFFAOYSA-N 0 0 329.360 0.905 10 0 ECAERN Cc1nc2ccc(NC(=O)C(=O)NC[C@H]3CN(C)CCO3)cc2o1 ZINC000118115210 221119315 /nfs/dbraw/zinc/11/93/15/221119315.db2.gz BPFMVMQPXNGYEY-LBPRGKRZSA-N 0 0 332.360 0.522 10 0 ECAERN CN1CCO[C@@H](CNC(=O)C(=O)Nc2cccc3cnccc32)C1 ZINC000118115483 221121490 /nfs/dbraw/zinc/12/14/90/221121490.db2.gz XEFOJIUUNYPSDN-ZDUSSCGKSA-N 0 0 328.372 0.620 10 0 ECAERN CC(C)c1cccc(OCC(=O)NC[C@H](O)CN2CCOCC2)c1 ZINC000119518679 221338247 /nfs/dbraw/zinc/33/82/47/221338247.db2.gz LPZPZMNKYLQRRV-INIZCTEOSA-N 0 0 336.432 0.998 10 0 ECAERN Cc1cc(CN2C[C@@H]3OC[C@@H](CNC(=O)c4ccnn4C)[C@@H]3C2)no1 ZINC000248047471 257668108 /nfs/dbraw/zinc/66/81/08/257668108.db2.gz QDLQMZHKUMWYTE-INWMFGNUSA-N 0 0 345.403 0.593 10 0 ECAERN CN(C)S(=O)(=O)N1Cc2cccn2C[C@H](Oc2cccnc2)C1 ZINC000247945973 257672609 /nfs/dbraw/zinc/67/26/09/257672609.db2.gz JVMKKDKFFAMCHH-HNNXBMFYSA-N 0 0 336.417 0.953 10 0 ECAERN CN(C)S(=O)(=O)N1CC[C@@H]2OCC[C@]2(COc2cccnc2)C1 ZINC000247917511 257673976 /nfs/dbraw/zinc/67/39/76/257673976.db2.gz BNLILFPXNUGJSJ-LSDHHAIUSA-N 0 0 341.433 0.748 10 0 ECAERN COCCn1ccc(C(=O)N[C@@H]2CCCN(c3cccnn3)C2)n1 ZINC000189823872 533337152 /nfs/dbraw/zinc/33/71/52/533337152.db2.gz OEWIRYMUUJYINE-CYBMUJFWSA-N 0 0 330.392 0.718 10 0 ECAERN COC(=O)CNC(=O)[C@H](C)N1CCN(c2nc3ccccc3o2)CC1 ZINC000171559704 533530455 /nfs/dbraw/zinc/53/04/55/533530455.db2.gz AHMBFTXUPJNFOY-LBPRGKRZSA-N 0 0 346.387 0.628 10 0 ECAERN COC(=O)[C@H](NC(=O)[C@H]1CNC(=O)C1)c1ccc(Cl)c(F)c1 ZINC000089372716 296630408 /nfs/dbraw/zinc/63/04/08/296630408.db2.gz KKVJTGWRJBZCFY-PRHODGIISA-N 0 0 328.727 0.946 10 0 ECAERN CCCC[C@@H](NC(=O)NCC)C(=O)NC[C@H](C)N1CCOCC1 ZINC000119079028 296642110 /nfs/dbraw/zinc/64/21/10/296642110.db2.gz RGMAPZRCGLMXEG-UONOGXRCSA-N 0 0 328.457 0.701 10 0 ECAERN CCn1c(C)nnc1CN1CCN(Cc2nnc(C)n2CC)CC1 ZINC000154672117 296697768 /nfs/dbraw/zinc/69/77/68/296697768.db2.gz BZJMHXPJJANYIN-UHFFFAOYSA-N 0 0 332.456 0.844 10 0 ECAERN COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)Cc1nc2ncccn2n1 ZINC000049635879 164553375 /nfs/dbraw/zinc/55/33/75/164553375.db2.gz FZGYNHJNJZASHC-AVGNSLFASA-N 0 0 343.387 1.000 10 0 ECAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)NC[C@@H](O)COCC(C)C ZINC000083750077 164628107 /nfs/dbraw/zinc/62/81/07/164628107.db2.gz GSMKBUDLVWJJLW-OLZOCXBDSA-N 0 0 325.413 0.754 10 0 ECAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)CNC(=O)c1cccnc1)CC2 ZINC000154789427 164768067 /nfs/dbraw/zinc/76/80/67/164768067.db2.gz KVBXFBVHSIJYHC-CYBMUJFWSA-N 0 0 342.403 0.658 10 0 ECAERN O=C(CCc1ccccc1)N1CC[C@H](NC(=O)[C@@H]2CNC(=O)C2)C1 ZINC000154899812 164769804 /nfs/dbraw/zinc/76/98/04/164769804.db2.gz HUQPNNIFOMSMFY-GJZGRUSLSA-N 0 0 329.400 0.472 10 0 ECAERN COC(=O)[C@@H](CS(=O)(=O)Cc1ccc(Cl)cc1)NC(C)=O ZINC000165912468 164819412 /nfs/dbraw/zinc/81/94/12/164819412.db2.gz AZSVNQPKKIDZJB-GFCCVEGCSA-N 0 0 333.793 0.933 10 0 ECAERN O=C(CNC(=O)c1ccccn1)N1CCO[C@@H](c2nccs2)C1 ZINC000172546433 164844491 /nfs/dbraw/zinc/84/44/91/164844491.db2.gz AERFHHUKCMYDJN-GFCCVEGCSA-N 0 0 332.385 0.868 10 0 ECAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1ccc(N2CCCCC2)cn1 ZINC000188723909 165000632 /nfs/dbraw/zinc/00/06/32/165000632.db2.gz BOTVZFGLBPHHNH-HUUCEWRRSA-N 0 0 332.404 0.992 10 0 ECAERN C[C@H]1C(=O)NCCCN1C(=O)C1=NN(Cc2ccccc2)C(=O)CC1 ZINC000188891439 165003461 /nfs/dbraw/zinc/00/34/61/165003461.db2.gz LHIFKUXCEWFRCA-ZDUSSCGKSA-N 0 0 342.399 0.902 10 0 ECAERN C[C@H](c1cnn(C)c1)N(C)C(=O)c1cc(N2CCNC(=O)C2)ccn1 ZINC000189229959 165006773 /nfs/dbraw/zinc/00/67/73/165006773.db2.gz PXQIBWVOVZFQEG-GFCCVEGCSA-N 0 0 342.403 0.585 10 0 ECAERN CCCC[C@H](NC(=O)NCC)C(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000189224608 165007330 /nfs/dbraw/zinc/00/73/30/165007330.db2.gz JRODCCBXPOPYGH-AWEZNQCLSA-N 0 0 338.452 0.991 10 0 ECAERN Cc1cc2ccccc2n1CC(=O)NC[C@@H](O)CN1CCOCC1 ZINC000192710017 165046026 /nfs/dbraw/zinc/04/60/26/165046026.db2.gz CWOUIGBCJREAIZ-MRXNPFEDSA-N 0 0 331.416 0.759 10 0 ECAERN C[C@H](NC(=O)C(=O)Nc1cnn(CC(N)=O)c1)c1ccc(Cl)cc1 ZINC000193518587 165055218 /nfs/dbraw/zinc/05/52/18/165055218.db2.gz KVSUXGALLNHJPV-VIFPVBQESA-N 0 0 349.778 0.838 10 0 ECAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N(Cc1ccccc1)[C@H](CO)C1CC1 ZINC000193745703 165058446 /nfs/dbraw/zinc/05/84/46/165058446.db2.gz XHRNJOYYLCACML-KZNAEPCWSA-N 0 0 346.427 0.768 10 0 ECAERN CCc1nnc(CN2C(=O)C(=O)N(Cc3ccccc3)C2=O)n1C ZINC000194672065 165067984 /nfs/dbraw/zinc/06/79/84/165067984.db2.gz KLVGCMVFHCJVPX-UHFFFAOYSA-N 0 0 327.344 0.869 10 0 ECAERN Cc1nc(-c2ncccn2)sc1C(=O)NC[C@H]1CN(C)CCO1 ZINC000194751185 165072229 /nfs/dbraw/zinc/07/22/29/165072229.db2.gz KYVKBCWPRHKRGS-NSHDSACASA-N 0 0 333.417 0.969 10 0 ECAERN O=C(c1ccc(F)cc1)N1CCCN(C(=O)[C@H]2CNC(=O)C2)CC1 ZINC000194865735 165072298 /nfs/dbraw/zinc/07/22/98/165072298.db2.gz CUBFZGQCUXWZNC-CYBMUJFWSA-N 0 0 333.363 0.636 10 0 ECAERN Nc1cc(CCCNC(=O)[C@H]2CNC(=O)C2)nn1-c1ccccc1 ZINC000194866821 165072329 /nfs/dbraw/zinc/07/23/29/165072329.db2.gz DBGIDNUTXYSIAK-GFCCVEGCSA-N 0 0 327.388 0.639 10 0 ECAERN CNS(=O)(=O)c1ccc(C(=O)N2CCN3CCCC[C@@H]3C2)o1 ZINC000195059977 165074581 /nfs/dbraw/zinc/07/45/81/165074581.db2.gz CGULTBSXYWSIJZ-LLVKDONJSA-N 0 0 327.406 0.498 10 0 ECAERN CCCCOC[C@H](O)CN1CCC(N2CCS(=O)(=O)CC2)CC1 ZINC000195215647 165077646 /nfs/dbraw/zinc/07/76/46/165077646.db2.gz XMDXPPHSLTWIOI-MRXNPFEDSA-N 0 0 348.509 0.359 10 0 ECAERN CC(C)n1nnnc1CS(=O)(=O)CC(=O)N1[C@H](C)CCC[C@H]1C ZINC000195427636 165081970 /nfs/dbraw/zinc/08/19/70/165081970.db2.gz RXMPIIQTNHMFNR-VXGBXAGGSA-N 0 0 343.453 0.958 10 0 ECAERN CCn1ccnc1CS(=O)(=O)CC(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000195519829 165085041 /nfs/dbraw/zinc/08/50/41/165085041.db2.gz RRYKOCPGRHRXPL-TXEJJXNPSA-N 0 0 329.422 0.454 10 0 ECAERN C[C@@H](Oc1cccc(CO)c1)C(=O)N1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000245727631 165114032 /nfs/dbraw/zinc/11/40/32/165114032.db2.gz BSLQSGDEYCRMCN-SOUVJXGZSA-N 0 0 336.432 0.860 10 0 ECAERN Cc1nnc([C@@H]2CN(c3cc(N4CCC[C@H]4CO)ncn3)CCO2)[nH]1 ZINC000246572716 165137273 /nfs/dbraw/zinc/13/72/73/165137273.db2.gz STMWOHBUBLCHCP-STQMWFEESA-N 0 0 345.407 0.442 10 0 ECAERN CC(=O)N[C@@H]1CCCN(C(=O)CN2CC[C@@H](Oc3cccnc3)C2)C1 ZINC000246581916 165139973 /nfs/dbraw/zinc/13/99/73/165139973.db2.gz IDYGQJKLJFASQI-NVXWUHKLSA-N 0 0 346.431 0.662 10 0 ECAERN COCCN1CCN(CC(=O)N2CCO[C@@H]3CCCC[C@H]32)C[C@H]1C ZINC000247212968 165155409 /nfs/dbraw/zinc/15/54/09/165155409.db2.gz PYTCYDSQJMFDLY-BRWVUGGUSA-N 0 0 339.480 0.809 10 0 ECAERN Cc1ccccc1CC(=O)N1CCN(C(=O)[C@H]2NCCO[C@@H]2C)CC1 ZINC000261970351 165270948 /nfs/dbraw/zinc/27/09/48/165270948.db2.gz QMSSEXJAOSIFDT-QAPCUYQASA-N 0 0 345.443 0.585 10 0 ECAERN O=C([C@@H]1CC(F)(F)CN1)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000262727663 165377951 /nfs/dbraw/zinc/37/79/51/165377951.db2.gz BFKYCPSECMQVSH-RYUDHWBXSA-N 0 0 331.363 0.081 10 0 ECAERN C[N@@H+](CC(=O)[O-])C[C@@H]1CN(C(=O)c2cc(-c3ccco3)on2)CCO1 ZINC000262734647 165379134 /nfs/dbraw/zinc/37/91/34/165379134.db2.gz BKKCPVZCNOPUTJ-LLVKDONJSA-N 0 0 349.343 0.792 10 0 ECAERN C[N@@H+](CC(=O)[O-])C[C@H]1CN(C(=O)c2ccc(F)cc2F)CCO1 ZINC000262874345 165396235 /nfs/dbraw/zinc/39/62/35/165396235.db2.gz DILCHDHBWYEACJ-NSHDSACASA-N 0 0 328.315 0.822 10 0 ECAERN C[N@@H+](CC(=O)[O-])C[C@H]1CN(C(=O)Cn2cc3ccccc3n2)CCO1 ZINC000262865105 165396806 /nfs/dbraw/zinc/39/68/06/165396806.db2.gz BWGFIONVCLWQCN-AWEZNQCLSA-N 0 0 346.387 0.280 10 0 ECAERN CCc1cc(=O)n2nc(Nc3cnn(CC(=O)N(C)C)c3)sc2n1 ZINC000301154425 296882471 /nfs/dbraw/zinc/88/24/71/296882471.db2.gz PFDAUACZVANFTN-UHFFFAOYSA-N 0 0 347.404 0.742 10 0 ECAERN CCCC(=O)N[C@H]1CCCN(c2ncccc2S(N)(=O)=O)C1 ZINC000301544969 296888165 /nfs/dbraw/zinc/88/81/65/296888165.db2.gz DDZMPWQTDHKRBC-NSHDSACASA-N 0 0 326.422 0.614 10 0 ECAERN COc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2CO)cc1-n1cnnn1 ZINC000120898094 221705739 /nfs/dbraw/zinc/70/57/39/221705739.db2.gz IXQVXKKHYILSFB-CHWSQXEVSA-N 0 0 331.376 0.952 10 0 ECAERN C[C@@H](O)CN1CCN(S(=O)(=O)c2ccc(Cl)nc2)C[C@H]1C ZINC000122429667 222085031 /nfs/dbraw/zinc/08/50/31/222085031.db2.gz SCGVLKQDMPGHQW-GHMZBOCLSA-N 0 0 333.841 0.811 10 0 ECAERN CC[C@](C)(O)CNC(=O)NC[C@H]1CCCN1c1cc(NC)ncn1 ZINC000173419229 263148943 /nfs/dbraw/zinc/14/89/43/263148943.db2.gz SJVHXOUBJGLMMW-WBMJQRKESA-N 0 0 336.440 0.947 10 0 ECAERN Cc1cnn(C[C@H]2CN(C(=O)CSc3n[nH]c(C)n3)CCO2)c1 ZINC000174806208 263151149 /nfs/dbraw/zinc/15/11/49/263151149.db2.gz GQJKZRQBPYKKQR-GFCCVEGCSA-N 0 0 336.421 0.638 10 0 ECAERN Cc1cc(N2CCN(CCN3CCO[C@H](C)C3)CC2)n2ncnc2n1 ZINC000192734114 263166126 /nfs/dbraw/zinc/16/61/26/263166126.db2.gz QQLOSGFZIQZJEF-OAHLLOKOSA-N 0 0 345.451 0.275 10 0 ECAERN NC(=O)[C@H]1CCCN1Cc1cccc(NC(=O)[C@H]2CNC(=O)C2)c1 ZINC000194820940 263169735 /nfs/dbraw/zinc/16/97/35/263169735.db2.gz UOVYSHQINQAMIP-TZMCWYRMSA-N 0 0 330.388 0.211 10 0 ECAERN O=C(NC1CN(C(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)C1)C1CC1 ZINC000189376748 437596513 /nfs/dbraw/zinc/59/65/13/437596513.db2.gz FNIWQWPVUNNVHM-CYBMUJFWSA-N 0 0 331.347 0.989 10 0 ECAERN CN(C)C(=O)NCCNC(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1ccccc1 ZINC000181040178 281958657 /nfs/dbraw/zinc/95/86/57/281958657.db2.gz WKWBKSGXTFYTHD-GOEBONIOSA-N 0 0 346.431 0.984 10 0 ECAERN CN1C(=O)C[C@H](C(=O)NCC(=O)NC2CC2)[C@@H]1c1ccc(F)cc1 ZINC000124065176 289834616 /nfs/dbraw/zinc/83/46/16/289834616.db2.gz SFGGNZYWDGOTKB-BBRMVZONSA-N 0 0 333.363 0.740 10 0 ECAERN O=C(NC1CN(C(=O)NCc2nnc3n2CCCCC3)C1)C1CC1 ZINC000190002214 437616053 /nfs/dbraw/zinc/61/60/53/437616053.db2.gz RVIBTNKIHRSQEG-UHFFFAOYSA-N 0 0 332.408 0.425 10 0 ECAERN NC(=O)[C@@H]1COCCN1C(=O)Cc1cc(Br)ccc1F ZINC000091784292 295118936 /nfs/dbraw/zinc/11/89/36/295118936.db2.gz LPFWAPUKDXLNCO-NSHDSACASA-N 0 0 345.168 0.843 10 0 ECAERN Cn1c(=O)cc(C(=O)N2CC[C@@]3(CNC(=O)C3)C2)c2ccccc21 ZINC000333307049 297123175 /nfs/dbraw/zinc/12/31/75/297123175.db2.gz MTKALTCISFSILX-GOSISDBHSA-N 0 0 325.368 0.891 10 0 ECAERN CCS(=O)(=O)N1CC(CNC(=O)c2ncoc2[C@H]2CCCO2)C1 ZINC000333385199 297130107 /nfs/dbraw/zinc/13/01/07/297130107.db2.gz BMPWYJLCUGGEJB-LLVKDONJSA-N 0 0 343.405 0.537 10 0 ECAERN C[C@H]1CN(C(=O)Cn2ncc(=O)c3ccccc32)CC[S@](=O)C1 ZINC000333436621 297133956 /nfs/dbraw/zinc/13/39/56/297133956.db2.gz KZEGFJSNRAGKMN-MYODQAERSA-N 0 0 333.413 0.624 10 0 ECAERN O=C(C[C@H]1Sc2ccccc2NC1=O)N1CCN2C(=O)N=NC2C1 ZINC000333440982 297134543 /nfs/dbraw/zinc/13/45/43/297134543.db2.gz LVKYITVTXGKXED-LLVKDONJSA-N 0 0 345.384 0.829 10 0 ECAERN CN1CCN(C(=O)[C@H]2CCCN2C(=O)[C@@H]2CCc3cccnc32)CC1 ZINC000333461076 297136398 /nfs/dbraw/zinc/13/63/98/297136398.db2.gz LQVXGCHAWYHDDD-HZPDHXFCSA-N 0 0 342.443 0.876 10 0 ECAERN O=C(CN1CCN(Cc2ccon2)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000333590342 297143184 /nfs/dbraw/zinc/14/31/84/297143184.db2.gz WUMPBXQVJJSGMG-UHFFFAOYSA-N 0 0 347.463 0.535 10 0 ECAERN CO[C@@H]1COC[C@H]1N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000333595067 297143652 /nfs/dbraw/zinc/14/36/52/297143652.db2.gz UBABQYFAVMHJBG-CHWSQXEVSA-N 0 0 346.474 0.905 10 0 ECAERN CCN(C(=O)CN1CCO[C@@H]2CCCC[C@@H]21)[C@H]1CCS(=O)(=O)C1 ZINC000361935004 300143158 /nfs/dbraw/zinc/14/31/58/300143158.db2.gz APLCSOAJOJBYSE-SOUVJXGZSA-N 0 0 344.477 0.665 10 0 ECAERN CC[C@@H]1CN(C(=O)[C@H]2CSCN2C(C)=O)C[C@H]1N1CCOCC1 ZINC000363471456 300267679 /nfs/dbraw/zinc/26/76/79/300267679.db2.gz NSSXFHZEUNZFQO-RBSFLKMASA-N 0 0 341.477 0.477 10 0 ECAERN CO[C@H]1C[C@H](C(=O)N(C)C[C@@H]2CCCC[C@H]2O)N(S(C)(=O)=O)C1 ZINC000363756004 300291484 /nfs/dbraw/zinc/29/14/84/300291484.db2.gz XBOSTRYKJNTGRL-IGQOVBAYSA-N 0 0 348.465 0.045 10 0 ECAERN C[C@@H](O)c1nccc(N2CCN(c3ccnc([C@@H](C)O)n3)CC2)n1 ZINC000013472157 436062109 /nfs/dbraw/zinc/06/21/09/436062109.db2.gz SYSFXMICXZPVQC-VXGBXAGGSA-N 0 0 330.392 0.700 10 0 ECAERN CCN(CC)C(=O)CN1CCN(C(=O)N[C@H](C)[C@@H]2CCCO2)CC1 ZINC000073720312 436092529 /nfs/dbraw/zinc/09/25/29/436092529.db2.gz PTMPEBKKBNWPEI-CABCVRRESA-N 0 0 340.468 0.750 10 0 ECAERN CN1CCO[C@@H](CNS(=O)(=O)c2ccc3c(c2)OCCO3)C1 ZINC000074773630 436138871 /nfs/dbraw/zinc/13/88/71/436138871.db2.gz PNTXIQAEPYZOHX-NSHDSACASA-N 0 0 328.390 0.067 10 0 ECAERN C[C@@H]1C(=O)NCCCN1C(=O)c1ccc([C@]2(C)NC(=O)NC2=O)cc1 ZINC000373763422 301080693 /nfs/dbraw/zinc/08/06/93/301080693.db2.gz PJHUELOEJUICHH-QGHHPUGFSA-N 0 0 344.371 0.092 10 0 ECAERN CO[C@@H]1CCC[C@@H]1[C@@H]1COCCN1S(=O)(=O)[C@H](C)C(=O)N(C)C ZINC000375215750 301159092 /nfs/dbraw/zinc/15/90/92/301159092.db2.gz OZQXWDAHPMUFCP-YIYPIFLZSA-N 0 0 348.465 0.309 10 0 ECAERN NC(=O)[C@@H]1CC[C@H](CNC(=O)N2CCC[C@@H]2[C@@H]2CCCC[C@H]2O)O1 ZINC000375644289 301194202 /nfs/dbraw/zinc/19/42/02/301194202.db2.gz MTQFQTDSUQTBAJ-KHMAMNHCSA-N 0 0 339.436 0.744 10 0 ECAERN O=C(CN1CCc2ccccc2C1=O)N1CC[C@H](N2CCOCC2)C1 ZINC000375742763 301205022 /nfs/dbraw/zinc/20/50/22/301205022.db2.gz JAERUILXCZANEX-INIZCTEOSA-N 0 0 343.427 0.618 10 0 ECAERN C[C@@H]1CSCCN1C(=O)N[C@@H]1CCC(=O)N[C@@H]1[C@H]1CCCO1 ZINC000378067729 301407368 /nfs/dbraw/zinc/40/73/68/301407368.db2.gz FBMUPHFLEQHMNL-BYNQJWBRSA-N 0 0 327.450 0.960 10 0 ECAERN Cc1ccccc1[C@@H](CC(=O)NC[C@H](C)N1CCOCC1)NC(N)=O ZINC000076148837 436192969 /nfs/dbraw/zinc/19/29/69/436192969.db2.gz FIWSWVDHCUWVCD-GOEBONIOSA-N 0 0 348.447 0.931 10 0 ECAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000081580608 436351050 /nfs/dbraw/zinc/35/10/50/436351050.db2.gz OWHKPNLDZOZPFH-NXEZZACHSA-N 0 0 345.325 0.948 10 0 ECAERN Cc1cc(NCCNc2nnnn2-c2ccccc2)n2ncnc2n1 ZINC000080971844 436333374 /nfs/dbraw/zinc/33/33/74/436333374.db2.gz YCINUHNJCLNBBX-UHFFFAOYSA-N 0 0 336.363 0.932 10 0 ECAERN C[C@H](NC(=O)CNS(=O)(=O)c1cnn(C)c1)c1cccs1 ZINC000047046135 436409270 /nfs/dbraw/zinc/40/92/70/436409270.db2.gz ZOBZMYKKZQQZCE-VIFPVBQESA-N 0 0 328.419 0.637 10 0 ECAERN CS(=O)(=O)NCc1cc2n(n1)CCCN(c1ccncc1F)C2 ZINC000082086529 436359657 /nfs/dbraw/zinc/35/96/57/436359657.db2.gz AIPUBUGURVZDJX-UHFFFAOYSA-N 0 0 339.396 0.877 10 0 ECAERN O=C(C[C@H](O)c1ccc(Cl)cc1)NC[C@@H](O)CN1CCOCC1 ZINC000091036195 436439437 /nfs/dbraw/zinc/43/94/37/436439437.db2.gz HPUYVQXCQAKOFY-CABCVRRESA-N 0 0 342.823 0.573 10 0 ECAERN CCc1nnc(CS(=O)(=O)[C@H](C)C(=O)NCCC(C)C)n1C ZINC000091049655 436439952 /nfs/dbraw/zinc/43/99/52/436439952.db2.gz TXMSKJBOWUVCBN-LLVKDONJSA-N 0 0 330.454 0.843 10 0 ECAERN C[C@@H](O)CN1CCN(C(=O)c2cn(Cc3ccccc3)nn2)C[C@@H]1C ZINC000174319177 533695091 /nfs/dbraw/zinc/69/50/91/533695091.db2.gz KGOJPKZOSVOVLW-LSDHHAIUSA-N 0 0 343.431 0.854 10 0 ECAERN CC(C)NC(=O)NC(=O)[C@@H](C)N1CCCN(c2cccnn2)CC1 ZINC000105799226 436578568 /nfs/dbraw/zinc/57/85/68/436578568.db2.gz RSFJDUDZDLJCMV-CYBMUJFWSA-N 0 0 334.424 0.611 10 0 ECAERN CCCc1noc(CN2CCN(c3ccc4nncn4n3)CC2)n1 ZINC000105817121 436579267 /nfs/dbraw/zinc/57/92/67/436579267.db2.gz DLQNAWQWPBHBEW-UHFFFAOYSA-N 0 0 328.380 0.782 10 0 ECAERN CN(CCCNC(=O)NC[C@H]1CN(C)CCO1)CC(F)(F)F ZINC000104790183 436562093 /nfs/dbraw/zinc/56/20/93/436562093.db2.gz CNPLPLYCYFABIS-NSHDSACASA-N 0 0 326.363 0.500 10 0 ECAERN CN1CCO[C@@H](CNC(=O)NCC(=O)N2CCc3ccccc32)C1 ZINC000104795220 436564582 /nfs/dbraw/zinc/56/45/82/436564582.db2.gz YSCCWUQLIGECOY-AWEZNQCLSA-N 0 0 332.404 0.206 10 0 ECAERN Cc1ccc(N2CCCN(C(=O)C(=O)c3cnn(C)c3)CC2)nn1 ZINC000105813008 436580009 /nfs/dbraw/zinc/58/00/09/436580009.db2.gz NRIXFXDIAVQJLT-UHFFFAOYSA-N 0 0 328.376 0.440 10 0 ECAERN C[C@@H]1CN(C(=O)CN2CCC(Nc3cccnn3)CC2)C[C@H](C)O1 ZINC000105805013 436577270 /nfs/dbraw/zinc/57/72/70/436577270.db2.gz OWPGJVGKZLZMRN-OKILXGFUSA-N 0 0 333.436 0.989 10 0 ECAERN CCOC(=O)CN(CC(N)=O)C(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000109121428 436623354 /nfs/dbraw/zinc/62/33/54/436623354.db2.gz SDCNVAVNQYMFAP-MNOVXSKESA-N 0 0 340.326 0.945 10 0 ECAERN CCCNC(=O)NC(=O)CN1CCCN(Cc2cnn(C)c2)CC1 ZINC000105868973 436584008 /nfs/dbraw/zinc/58/40/08/436584008.db2.gz YPVDLJPMISAWLZ-UHFFFAOYSA-N 0 0 336.440 0.164 10 0 ECAERN CCc1nccn1[C@@H]1CCCN(C(=O)[C@H](C)NS(C)(=O)=O)C1 ZINC000105882464 436584407 /nfs/dbraw/zinc/58/44/07/436584407.db2.gz KOROQARQIVQHFB-NWDGAFQWSA-N 0 0 328.438 0.547 10 0 ECAERN O=C(CN1CCN(C[C@@H](O)c2ccccc2)CC1)NC[C@H]1CCCO1 ZINC000105911795 436586492 /nfs/dbraw/zinc/58/64/92/436586492.db2.gz RKNHIMPVUKSZCX-QZTJIDSGSA-N 0 0 347.459 0.633 10 0 ECAERN Cc1nnc(CN2CCN(CC(=O)N[C@@H]3CCC[C@H](C)C3)CC2)n1C ZINC000105928125 436588303 /nfs/dbraw/zinc/58/83/03/436588303.db2.gz VNKNHKAPFVMOSW-GOEBONIOSA-N 0 0 348.495 0.936 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)c2cccc(-n3cnnn3)c2)CC1 ZINC000106397824 436593106 /nfs/dbraw/zinc/59/31/06/436593106.db2.gz UCWOCWCGOFUVME-OAHLLOKOSA-N 0 0 330.392 0.191 10 0 ECAERN CC(C)(C)n1cc(CN2CCN(CCNS(C)(=O)=O)CC2)cn1 ZINC000107304180 436609294 /nfs/dbraw/zinc/60/92/94/436609294.db2.gz AHFJYXSSTPERFE-UHFFFAOYSA-N 0 0 343.497 0.305 10 0 ECAERN Cn1cc(/C=C/C(=O)N[C@@H]2COc3ccccc32)c(=O)n(C)c1=O ZINC000058968212 436630821 /nfs/dbraw/zinc/63/08/21/436630821.db2.gz LQEGPOBREDEYQC-SBDDDAINSA-N 0 0 327.340 0.347 10 0 ECAERN C[C@@H](NC(=O)N1CCN(C(=O)CN2CCOCC2)CC1)C(C)(C)C ZINC000112460975 436632962 /nfs/dbraw/zinc/63/29/62/436632962.db2.gz IKBSNHPETZEHJF-CQSZACIVSA-N 0 0 340.468 0.607 10 0 ECAERN CN(C)C(=O)C1(CNC(=O)N[C@@H]2CCc3ncnn3C2)CCCC1 ZINC000113631844 436638332 /nfs/dbraw/zinc/63/83/32/436638332.db2.gz VPTIKGXBTFATSG-GFCCVEGCSA-N 0 0 334.424 0.541 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)CCNC(=O)c1ccco1)CC2 ZINC000114862380 436644279 /nfs/dbraw/zinc/64/42/79/436644279.db2.gz KAOUSPGTWHJJCQ-LLVKDONJSA-N 0 0 331.376 0.685 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1ccccc1-n1cnnn1)CC2 ZINC000114867342 436644427 /nfs/dbraw/zinc/64/44/27/436644427.db2.gz JDZGYJIJMSSSIV-NSHDSACASA-N 0 0 338.375 0.561 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)CNC(=O)NC1CCCCC1)CC2 ZINC000114866883 436644556 /nfs/dbraw/zinc/64/45/56/436644556.db2.gz SMJBHDWHPFJKKP-ZDUSSCGKSA-N 0 0 348.451 0.903 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)C1CCN(C(=O)N(C)C)CC1)CC2 ZINC000114871387 436644755 /nfs/dbraw/zinc/64/47/55/436644755.db2.gz NBPSRVXFKRPKPX-ZDUSSCGKSA-N 0 0 348.451 0.665 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)N1CCC(C3OCCO3)CC1)CC2 ZINC000114978525 436645541 /nfs/dbraw/zinc/64/55/41/436645541.db2.gz VLZMLPZWFSGHJS-CYBMUJFWSA-N 0 0 349.435 0.950 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)NC[C@@H](O)COCC(C)C)CC2 ZINC000114975537 436645972 /nfs/dbraw/zinc/64/59/72/436645972.db2.gz ZAFUPADHCQRQCI-CHWSQXEVSA-N 0 0 339.440 0.488 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)Nc2ccn(CCOC)n2)CC1 ZINC000136802509 436653247 /nfs/dbraw/zinc/65/32/47/436653247.db2.gz XYOMGMSUYHRSTI-CYBMUJFWSA-N 0 0 325.413 0.450 10 0 ECAERN Cn1cc(CN2CCCN(C(=O)NCc3ccnn3C)CC2)cn1 ZINC000115800308 436648365 /nfs/dbraw/zinc/64/83/65/436648365.db2.gz XFTSVIXXQGMFFI-UHFFFAOYSA-N 0 0 331.424 0.571 10 0 ECAERN Cn1cc([C@H]2CCN(C(=O)c3ccccc3OCC(N)=O)C2)cn1 ZINC000116120999 436649245 /nfs/dbraw/zinc/64/92/45/436649245.db2.gz RFRBLXBOPDOSEN-LBPRGKRZSA-N 0 0 328.372 0.914 10 0 ECAERN CC(C)[N@H+]1C[C@H](NC(=O)C(=O)Nc2cccc(C(N)=O)c2)[C@@H](C)C1 ZINC000150774373 436689902 /nfs/dbraw/zinc/68/99/02/436689902.db2.gz YKBSJVHNWWPZEQ-FZMZJTMJSA-N 0 0 332.404 0.569 10 0 ECAERN C[C@H](NC(=O)N1CCN(CCS(N)(=O)=O)CC1)c1cccs1 ZINC000195499550 436693294 /nfs/dbraw/zinc/69/32/94/436693294.db2.gz NENSLQSLLHJYRY-NSHDSACASA-N 0 0 346.478 0.425 10 0 ECAERN O=S(=O)(N[C@@H]1COCC[C@H]1Oc1ccccn1)N1CCCC1 ZINC000223878350 436708279 /nfs/dbraw/zinc/70/82/79/436708279.db2.gz FNONIOCFZRYELD-CHWSQXEVSA-N 0 0 327.406 0.548 10 0 ECAERN Cc1nc(Cl)ccc1NC(=O)NC[C@H](O)CN1CCOCC1 ZINC000194652148 436669508 /nfs/dbraw/zinc/66/95/08/436669508.db2.gz ZLBCAIMVCRXRKG-NSHDSACASA-N 0 0 328.800 0.858 10 0 ECAERN O=C(NC[C@H](O)COc1ccc(C(F)(F)F)cc1)[C@@H]1CNC(=O)C1 ZINC000195093381 436679212 /nfs/dbraw/zinc/67/92/12/436679212.db2.gz RPRNAKWYSRSJLT-ONGXEEELSA-N 0 0 346.305 0.697 10 0 ECAERN Cc1cnn(C[C@@H]2CN(C(=O)CCNC(=O)CC(C)C)CCO2)c1 ZINC000120185373 436680878 /nfs/dbraw/zinc/68/08/78/436680878.db2.gz QNYZJKGWOQNLQU-HNNXBMFYSA-N 0 0 336.436 0.971 10 0 ECAERN CCCCOC[C@H](O)CN1CCN([C@H](C)C(=O)N2CCCC2)CC1 ZINC000195182936 436682798 /nfs/dbraw/zinc/68/27/98/436682798.db2.gz QUIDJTQYZCJAAG-IAGOWNOFSA-N 0 0 341.496 0.793 10 0 ECAERN CN1CCO[C@H](CNC(=O)C(=O)Nc2cc(F)c(F)c(F)c2)C1 ZINC000121635502 436720384 /nfs/dbraw/zinc/72/03/84/436720384.db2.gz RIONRCYMCXAHSJ-SECBINFHSA-N 0 0 331.294 0.489 10 0 ECAERN CCOCCN1CCN(C(=O)C(=O)Nc2ncc(C)s2)C[C@H]1C ZINC000123758090 436741887 /nfs/dbraw/zinc/74/18/87/436741887.db2.gz IDHSDEHIWKBYKF-LLVKDONJSA-N 0 0 340.449 0.959 10 0 ECAERN CCOCCN1CCN(C(=O)C(=O)Nc2ncc(C)s2)C[C@@H]1C ZINC000123757878 436742650 /nfs/dbraw/zinc/74/26/50/436742650.db2.gz IDHSDEHIWKBYKF-NSHDSACASA-N 0 0 340.449 0.959 10 0 ECAERN C[C@H](CNC(=O)N1CCCN(C(=O)C2CC2)CC1)N1CCOCC1 ZINC000124038280 436745475 /nfs/dbraw/zinc/74/54/75/436745475.db2.gz UVXWAYUYIXSJHL-CQSZACIVSA-N 0 0 338.452 0.361 10 0 ECAERN COc1cccc(Cl)c1CC(=O)NC[C@@H](O)CN1CCOCC1 ZINC000152972909 436745506 /nfs/dbraw/zinc/74/55/06/436745506.db2.gz VAKQBXMZXONJAL-GFCCVEGCSA-N 0 0 342.823 0.700 10 0 ECAERN CCCn1nccc1NC(=O)C(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000153153462 436749760 /nfs/dbraw/zinc/74/97/60/436749760.db2.gz LLZSATGUWJCJFE-LBPRGKRZSA-N 0 0 330.392 0.981 10 0 ECAERN CS(=O)(=O)N1CCCC[C@H]1C(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000125155866 436763505 /nfs/dbraw/zinc/76/35/05/436763505.db2.gz XUYNLYDPZMFKHY-AWEZNQCLSA-N 0 0 340.449 0.930 10 0 ECAERN C[C@H](CNC(=O)Nc1cnn(-c2ncccn2)c1)N1CCOCC1 ZINC000156297097 436813280 /nfs/dbraw/zinc/81/32/80/436813280.db2.gz KGEKTTHPTPUNOW-GFCCVEGCSA-N 0 0 331.380 0.505 10 0 ECAERN CCN(CC)S(=O)(=O)N(C)[C@H]1CCCN(c2cccnn2)C1 ZINC000128400385 436815183 /nfs/dbraw/zinc/81/51/83/436815183.db2.gz OLDJNVIYOHPCJY-ZDUSSCGKSA-N 0 0 327.454 0.964 10 0 ECAERN C[C@H]1COCCN1Cc1nnnn1-c1ccc(S(C)(=O)=O)cc1 ZINC000125686258 436774736 /nfs/dbraw/zinc/77/47/36/436774736.db2.gz GZMWZAKPTIFJDZ-NSHDSACASA-N 0 0 337.405 0.287 10 0 ECAERN CNC(=O)[C@H](NC(=O)NCC(C)(C)N1C[C@H](C)O[C@@H](C)C1)C(C)C ZINC000246274271 436776098 /nfs/dbraw/zinc/77/60/98/436776098.db2.gz ZGOXPICIJFWSAP-MELADBBJSA-N 0 0 342.484 0.944 10 0 ECAERN CC(=O)NCCNC(=O)CCC(=O)N1CCC(Cn2cccn2)CC1 ZINC000125869394 436778366 /nfs/dbraw/zinc/77/83/66/436778366.db2.gz KHFIOGHWOHZKTJ-UHFFFAOYSA-N 0 0 349.435 0.154 10 0 ECAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)c3nc(C)c(C)[nH]c3=O)CCO2)n1 ZINC000154751611 436784147 /nfs/dbraw/zinc/78/41/47/436784147.db2.gz KTJUGSROBAQSBW-AWEZNQCLSA-N 0 0 345.403 0.741 10 0 ECAERN C[C@@H](NC(=O)c1ccco1)C(=O)N1CCC[C@@H](Cn2cncn2)C1 ZINC000127193640 436797676 /nfs/dbraw/zinc/79/76/76/436797676.db2.gz BYZWKHQTRWGIRT-CHWSQXEVSA-N 0 0 331.376 0.928 10 0 ECAERN C[C@@](NC[C@H](O)CN1CCCC1=O)(C(N)=O)c1cccc(Cl)c1 ZINC000127224880 436799123 /nfs/dbraw/zinc/79/91/23/436799123.db2.gz WWSOCSJNVRFXEB-BBRMVZONSA-N 0 0 339.823 0.613 10 0 ECAERN O=C(Nc1cnn(CC(F)F)c1)C(=O)N1CCN2CCCC[C@H]2C1 ZINC000158308353 436843758 /nfs/dbraw/zinc/84/37/58/436843758.db2.gz FRRFDAYVQUENHI-LBPRGKRZSA-N 0 0 341.362 0.783 10 0 ECAERN Cc1nn(C)c(C)c1CN1C[C@@H](CO)[C@H](NC(=O)c2cccnc2)C1 ZINC000253413820 436844483 /nfs/dbraw/zinc/84/44/83/436844483.db2.gz VTJBMLLCYLZDRX-DOTOQJQBSA-N 0 0 343.431 0.655 10 0 ECAERN CCNC(=O)C(C)(C)CNC(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000131204560 436846647 /nfs/dbraw/zinc/84/66/47/436846647.db2.gz YOUQDINTNCDQLP-KBPBESRZSA-N 0 0 340.468 0.511 10 0 ECAERN Cc1noc(C)c1CN1CC(N2C[C@H](O)C[C@H]2C(=O)NCC2CC2)C1 ZINC000257191488 436859376 /nfs/dbraw/zinc/85/93/76/436859376.db2.gz PTSONKUSASNIRF-WBVHZDCISA-N 0 0 348.447 0.437 10 0 ECAERN O=C(NC[C@H](O)CN1CCOCC1)c1coc(-c2ccccc2)n1 ZINC000132833632 436870637 /nfs/dbraw/zinc/87/06/37/436870637.db2.gz UJWPRNVRTRBHHJ-AWEZNQCLSA-N 0 0 331.372 0.765 10 0 ECAERN C[C@@H]1CN(C(=O)CCc2nc(-c3ccoc3)no2)C[C@H](C(N)=O)O1 ZINC000157353494 436827051 /nfs/dbraw/zinc/82/70/51/436827051.db2.gz CDYIRCYITLEMJU-MWLCHTKSSA-N 0 0 334.332 0.363 10 0 ECAERN CCn1cc(C2CCN(C(=O)C(=O)Nc3cnn(C)c3)CC2)cn1 ZINC000157432936 436827825 /nfs/dbraw/zinc/82/78/25/436827825.db2.gz JXAIQDNBNNGQFT-UHFFFAOYSA-N 0 0 330.392 0.981 10 0 ECAERN CC[C@H](CCO)NC(=O)[C@@H]1CCC[C@@H]1C(=O)N[C@@H](CC)CCO ZINC000161852005 436898692 /nfs/dbraw/zinc/89/86/92/436898692.db2.gz SKQFRRDRPCYBSC-NMWPEEMBSA-N 0 0 328.453 0.957 10 0 ECAERN CCC(=O)N1CC[C@@H](C(=O)N2CCCN(Cc3noc(C)n3)CC2)C1 ZINC000161974720 436901133 /nfs/dbraw/zinc/90/11/33/436901133.db2.gz LVLSDHLNASQIQX-CQSZACIVSA-N 0 0 349.435 0.671 10 0 ECAERN C=CC(=O)NCCC(=O)N1CCN(Cc2cnn(C(C)(C)C)c2)CC1 ZINC000162321502 436905713 /nfs/dbraw/zinc/90/57/13/436905713.db2.gz RLRDJJHYHVIAJP-UHFFFAOYSA-N 0 0 347.463 0.975 10 0 ECAERN CN1CCO[C@@H](CNC(=O)c2cccc(C(=O)N3CCCC3)n2)C1 ZINC000162387923 436905815 /nfs/dbraw/zinc/90/58/15/436905815.db2.gz MUMJGQXHVFKGMD-ZDUSSCGKSA-N 0 0 332.404 0.378 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)NCC2(O)CCCCC2)C1 ZINC000263476294 436968520 /nfs/dbraw/zinc/96/85/20/436968520.db2.gz MRGQTYLIFQFPDQ-UHFFFAOYSA-N 0 0 327.425 0.918 10 0 ECAERN Cc1ccc(S(N)(=O)=O)cc1C(=O)N1CCC[C@H](n2cncn2)C1 ZINC000171578736 436981408 /nfs/dbraw/zinc/98/14/08/436981408.db2.gz HLJDYCIVJLKPRM-LBPRGKRZSA-N 0 0 349.416 0.711 10 0 ECAERN CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1cc(F)c(F)c(F)c1 ZINC000166722637 436938851 /nfs/dbraw/zinc/93/88/51/436938851.db2.gz ALPIZPVRYLYPPX-SNVBAGLBSA-N 0 0 329.278 0.779 10 0 ECAERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1cc(F)c(F)c(F)c1 ZINC000166722514 436939342 /nfs/dbraw/zinc/93/93/42/436939342.db2.gz ALPIZPVRYLYPPX-JTQLQIEISA-N 0 0 329.278 0.779 10 0 ECAERN O=C(CCNC(=O)c1[nH]nc2ccccc21)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000170828903 436954155 /nfs/dbraw/zinc/95/41/55/436954155.db2.gz IRMARAWXSLQITF-ZDUSSCGKSA-N 0 0 341.415 0.989 10 0 ECAERN O=C(Nc1nccs1)N1CCN(c2ccc3nncn3n2)CC1 ZINC000172476449 437016169 /nfs/dbraw/zinc/01/61/69/437016169.db2.gz RLKZPVNPFHPNRE-UHFFFAOYSA-N 0 0 330.377 0.935 10 0 ECAERN CC(=O)N1CCCN(C(=O)N[C@@H]2CCc3nc(C(C)C)nn3C2)CC1 ZINC000172606801 437022832 /nfs/dbraw/zinc/02/28/32/437022832.db2.gz QARCJMDOOJHUNI-CQSZACIVSA-N 0 0 348.451 0.980 10 0 ECAERN O=C(Cc1ccc(-n2cnnn2)cc1)N1CC[C@@H](N2CCOCC2)C1 ZINC000172756945 437029986 /nfs/dbraw/zinc/02/99/86/437029986.db2.gz MFXKADTVPKFECB-MRXNPFEDSA-N 0 0 342.403 0.138 10 0 ECAERN Cc1cnn(CCNC(=O)N[C@@H]2CCCN(c3ncccn3)C2)c1 ZINC000172276448 437007919 /nfs/dbraw/zinc/00/79/19/437007919.db2.gz BZONLIWHMNNPEM-CQSZACIVSA-N 0 0 329.408 0.950 10 0 ECAERN Cc1cc(N2CCC[C@@H](NC(=O)N[C@@H]3CCCOC3)C2=O)n(C)n1 ZINC000173186229 437041855 /nfs/dbraw/zinc/04/18/55/437041855.db2.gz UZNUNTYDXVPYGH-CHWSQXEVSA-N 0 0 335.408 0.702 10 0 ECAERN CCNC(=O)CCCC(=O)NC[C@@H]1CCCN1c1cc(NC)ncn1 ZINC000173447726 437050146 /nfs/dbraw/zinc/05/01/46/437050146.db2.gz NIVSXHXGIYHHCU-ZDUSSCGKSA-N 0 0 348.451 0.910 10 0 ECAERN CC(C)c1nc([C@@H]2CCCN2C(=O)CN2CCCS2(=O)=O)no1 ZINC000173436980 437050822 /nfs/dbraw/zinc/05/08/22/437050822.db2.gz KWWGRSQLRVAESB-NSHDSACASA-N 0 0 342.421 0.892 10 0 ECAERN CCc1nnc([C@@H]2CN(C(=O)Cc3c(C)nn(C)c3C)CCO2)[nH]1 ZINC000173562906 437056137 /nfs/dbraw/zinc/05/61/37/437056137.db2.gz IGWDVJRXPZILGL-ZDUSSCGKSA-N 0 0 332.408 0.860 10 0 ECAERN CCc1nnc([C@H]2CN(C(=O)CN3CCCCCC3=O)CCO2)[nH]1 ZINC000173558845 437056395 /nfs/dbraw/zinc/05/63/95/437056395.db2.gz RWCJIMXJHHSVPF-GFCCVEGCSA-N 0 0 335.408 0.670 10 0 ECAERN Cc1nnc([C@H]2CN(C(=O)C(=O)Nc3ccc(C)cc3)CCO2)[nH]1 ZINC000173607553 437059022 /nfs/dbraw/zinc/05/90/22/437059022.db2.gz XUYQZVHTRHLTDI-CYBMUJFWSA-N 0 0 329.360 0.960 10 0 ECAERN COc1ccc(CNC(=O)CN2CCO[C@@H](c3nnc(C)[nH]3)C2)cc1 ZINC000173669820 437060884 /nfs/dbraw/zinc/06/08/84/437060884.db2.gz GMMOMVMZFKNELM-OAHLLOKOSA-N 0 0 345.403 0.811 10 0 ECAERN O=C(CCNC(=O)N1CC[C@@H](N2CCOCC2)C1)N1CCCCC1 ZINC000173779461 437064198 /nfs/dbraw/zinc/06/41/98/437064198.db2.gz AWMSAMAFAKGECS-OAHLLOKOSA-N 0 0 338.452 0.505 10 0 ECAERN C[C@H]1CN(C(=O)CN2CCCCCCC2=O)C[C@H]1N1CCOCC1 ZINC000173828703 437065981 /nfs/dbraw/zinc/06/59/81/437065981.db2.gz ZOYCTULYQQMJBI-JKSUJKDBSA-N 0 0 337.464 0.958 10 0 ECAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)N1CCC3(C1)OCCO3)CC2 ZINC000175135243 437096433 /nfs/dbraw/zinc/09/64/33/437096433.db2.gz ITZPOVQDDKZJJG-LBPRGKRZSA-N 0 0 335.408 0.875 10 0 ECAERN C[C@@H](NC(=O)c1ccco1)C(=O)NCCn1c(=O)[nH]c2ccccc21 ZINC000175470898 437105480 /nfs/dbraw/zinc/10/54/80/437105480.db2.gz YVTJLMVDWKWFQD-LLVKDONJSA-N 0 0 342.355 0.857 10 0 ECAERN C[C@H]1CN(C(=O)NCCCN2CCOCC2)C[C@@H]1N1CCOCC1 ZINC000175609791 437109767 /nfs/dbraw/zinc/10/97/67/437109767.db2.gz STWMNACOLIKXRI-HOTGVXAUSA-N 0 0 340.468 0.071 10 0 ECAERN CNC(=O)c1ccc(S(=O)(=O)N[C@H]2CCCn3ncnc32)cc1 ZINC000176744747 437156239 /nfs/dbraw/zinc/15/62/39/437156239.db2.gz YILICOAYAMLYGL-LBPRGKRZSA-N 0 0 335.389 0.451 10 0 ECAERN C[C@@H]1CN(C(=O)NCc2cccc(C(N)=O)c2)C[C@H]1N1CCOCC1 ZINC000175671483 437113279 /nfs/dbraw/zinc/11/32/79/437113279.db2.gz OSKNZOYYQZBIDZ-CZUORRHYSA-N 0 0 346.431 0.648 10 0 ECAERN O=C(CN1CCN(c2ccccn2)CC1)N[C@H]1CCCn2ncnc21 ZINC000176134283 437132947 /nfs/dbraw/zinc/13/29/47/437132947.db2.gz FNOXNOCBUMMTPO-AWEZNQCLSA-N 0 0 341.419 0.446 10 0 ECAERN CS(=O)(=O)CC1(CNc2cc(Cl)nc(N)n2)CCOCC1 ZINC000301834592 437134323 /nfs/dbraw/zinc/13/43/23/437134323.db2.gz KNLDCVUQIHWZSF-UHFFFAOYSA-N 0 0 334.829 0.966 10 0 ECAERN CNC(=O)[C@H]1CCCN1C(=O)Nc1ccc(F)c(-n2nnnc2C)c1 ZINC000176351387 437139766 /nfs/dbraw/zinc/13/97/66/437139766.db2.gz DNGXAHJQZQKLNC-GFCCVEGCSA-N 0 0 347.354 0.852 10 0 ECAERN CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCCCN(C)S(=O)(=O)CC ZINC000177410573 437183831 /nfs/dbraw/zinc/18/38/31/437183831.db2.gz STODVVIYXVKDDC-CQSZACIVSA-N 0 0 348.513 0.784 10 0 ECAERN Cc1cc(NC(=O)C(=O)N2CCN(C[C@@H](C)O)[C@@H](C)C2)ccc1F ZINC000177607628 437192001 /nfs/dbraw/zinc/19/20/01/437192001.db2.gz QVOVQHOJQJDTGX-QWHCGFSZSA-N 0 0 337.395 0.986 10 0 ECAERN O=C([C@H]1CC(=O)N(c2cn[nH]c2)C1)N1CCC(Cn2cccn2)CC1 ZINC000178261692 437209167 /nfs/dbraw/zinc/20/91/67/437209167.db2.gz MXEHYPCAWQPNRC-AWEZNQCLSA-N 0 0 342.403 0.898 10 0 ECAERN CNC(=O)[C@H](NC(=O)N[C@H]1CCN(c2ccccc2)C1=O)C(C)C ZINC000178456531 437216413 /nfs/dbraw/zinc/21/64/13/437216413.db2.gz XVYUBQNYFMRNCC-UONOGXRCSA-N 0 0 332.404 0.862 10 0 ECAERN CCc1noc([C@@]2(O)CCN(S(=O)(=O)c3cccs3)C2)n1 ZINC000328608478 437239313 /nfs/dbraw/zinc/23/93/13/437239313.db2.gz AOALGGLOKKGWGP-GFCCVEGCSA-N 0 0 329.403 0.976 10 0 ECAERN CCc1nnc2n1CCN(C1CN(C(=O)c3scnc3C)C1)C2 ZINC000328621044 437241222 /nfs/dbraw/zinc/24/12/22/437241222.db2.gz AEVPMUIQNFXXHJ-UHFFFAOYSA-N 0 0 332.433 0.946 10 0 ECAERN Cc1nnc(CN(C)[C@H]2CN(C(=O)[C@@H](C)OCC3CC3)C[C@H]2O)o1 ZINC000328629427 437241273 /nfs/dbraw/zinc/24/12/73/437241273.db2.gz IFDLJDJYYDCVBR-DDTOSNHZSA-N 0 0 338.408 0.197 10 0 ECAERN CN(C[C@@H]1C[C@H](F)CN1Cc1cncnc1)C(=O)c1cnn(C)c1 ZINC000328628838 437241899 /nfs/dbraw/zinc/24/18/99/437241899.db2.gz HQASGABVMAJZSP-GJZGRUSLSA-N 0 0 332.383 0.895 10 0 ECAERN O=C(Cn1ccnn1)N1CC[C@@H](Oc2cccnc2N2CCCC2)C1 ZINC000328619895 437242225 /nfs/dbraw/zinc/24/22/25/437242225.db2.gz GJGFFJATYFMDSO-CQSZACIVSA-N 0 0 342.403 0.953 10 0 ECAERN CCn1ccnc(NC[C@@H]2C[C@H](F)CN2Cc2ccnn2C)c1=O ZINC000328636561 437244975 /nfs/dbraw/zinc/24/49/75/437244975.db2.gz OCFXVHWNDJLDTF-JSGCOSHPSA-N 0 0 334.399 1.021 10 0 ECAERN O=S(=O)(/C=C/c1ccc(F)cc1)NC[C@@H](O)CN1CCOCC1 ZINC000179007917 437247001 /nfs/dbraw/zinc/24/70/01/437247001.db2.gz FKIFXTOJIXQGTL-HYJLXUOHSA-N 0 0 344.408 0.409 10 0 ECAERN CN1C(=O)C[C@H](C(=O)NCC(=O)NCC2CC2)[C@@H]1c1ccc(F)cc1 ZINC000180898008 437304646 /nfs/dbraw/zinc/30/46/46/437304646.db2.gz HMDZUHYGZOMWTP-YOEHRIQHSA-N 0 0 347.390 0.988 10 0 ECAERN Cc1cn2c(ncc(C(=O)N3CC[C@H](N4CCOCC4)C3)c2=O)s1 ZINC000179973157 437278555 /nfs/dbraw/zinc/27/85/55/437278555.db2.gz MVDDWFRFXFSQSS-LBPRGKRZSA-N 0 0 348.428 0.611 10 0 ECAERN CCOc1ccnc(N2CCN(Cc3noc(COC)n3)CC2)n1 ZINC000182444915 437350743 /nfs/dbraw/zinc/35/07/43/437350743.db2.gz AURCFNYZXNBYDJ-UHFFFAOYSA-N 0 0 334.380 0.727 10 0 ECAERN NC(=O)[C@H](c1cccc(Br)c1)N1C[C@H](O)C[C@@H]1CO ZINC000184734513 437411973 /nfs/dbraw/zinc/41/19/73/437411973.db2.gz WARQBRMWNADHSP-UTUOFQBUSA-N 0 0 329.194 0.403 10 0 ECAERN COCC(=O)NC1CN(C(=O)Cc2coc(-c3cccs3)n2)C1 ZINC000185302634 437434874 /nfs/dbraw/zinc/43/48/74/437434874.db2.gz XQLKHKORBZJUSH-UHFFFAOYSA-N 0 0 335.385 0.919 10 0 ECAERN C[C@@H]1CN(C(=O)c2cc(OC(F)F)n(C)n2)C[C@H]1N1CCOCC1 ZINC000185712040 437449791 /nfs/dbraw/zinc/44/97/91/437449791.db2.gz JGFPVMQQPYJIHT-ZYHUDNBSSA-N 0 0 344.362 0.814 10 0 ECAERN COC(=O)[C@@H](NC[C@H](O)CN1CCCC1=O)c1ccc(F)c(C)c1 ZINC000185780791 437451781 /nfs/dbraw/zinc/45/17/81/437451781.db2.gz GQNRTAWIRNUSTI-BBRMVZONSA-N 0 0 338.379 0.921 10 0 ECAERN CCc1nnc([C@@H]2CN(S(=O)(=O)c3ccc(N)cc3)CCO2)[nH]1 ZINC000186094992 437461293 /nfs/dbraw/zinc/46/12/93/437461293.db2.gz CUFFACYLNGTRDL-LBPRGKRZSA-N 0 0 337.405 0.712 10 0 ECAERN CCOC(=O)c1nn(C)cc1CN1CCO[C@H](c2nnc(C)[nH]2)C1 ZINC000186255942 437468758 /nfs/dbraw/zinc/46/87/58/437468758.db2.gz MAUWPJBKYOTVED-LBPRGKRZSA-N 0 0 334.380 0.597 10 0 ECAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)NCc1cc(C(N)=O)co1)CC2 ZINC000187191428 437496175 /nfs/dbraw/zinc/49/61/75/437496175.db2.gz OSARFBJKIBTOPN-LLVKDONJSA-N 0 0 346.391 0.908 10 0 ECAERN O=C(NC[C@H](O)CN1CCOCC1)C1(Cc2ccccc2F)CC1 ZINC000188279826 437540566 /nfs/dbraw/zinc/54/05/66/437540566.db2.gz GHSCMTFWVQUAPX-HNNXBMFYSA-N 0 0 336.407 0.958 10 0 ECAERN O=C(NC1CN(C(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)C1)C1CCC1 ZINC000188502585 437550881 /nfs/dbraw/zinc/55/08/81/437550881.db2.gz NWJPQLDFRNTNPR-JTQLQIEISA-N 0 0 347.337 0.524 10 0 ECAERN O=C(NCCNC(=O)N1CC(NC(=O)C2CCC2)C1)c1ccccc1 ZINC000188786781 437573507 /nfs/dbraw/zinc/57/35/07/437573507.db2.gz UEECNNVTXLIAJF-UHFFFAOYSA-N 0 0 344.415 0.727 10 0 ECAERN CCn1cc([C@H]2CN(C(=O)NCC(=O)N3CCCCC3)CCO2)cn1 ZINC000191010358 437645372 /nfs/dbraw/zinc/64/53/72/437645372.db2.gz DCWZIFQJGUIFQP-OAHLLOKOSA-N 0 0 349.435 0.998 10 0 ECAERN O=C1c2ccccc2C(=O)N1C[C@@H](O)CN1CCSC[C@@H]1CO ZINC000343754746 437646618 /nfs/dbraw/zinc/64/66/18/437646618.db2.gz VVTSEQSJGZHKOT-RYUDHWBXSA-N 0 0 336.413 0.053 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)[C@H]2CC(c3cccnc3)=NO2)CC1 ZINC000191389033 437654988 /nfs/dbraw/zinc/65/49/88/437654988.db2.gz ALLITFVDJSEBHJ-GDBMZVCRSA-N 0 0 332.404 0.490 10 0 ECAERN Cc1cc(N2CCC[C@H](NC(=O)Nc3cnns3)C2=O)n(C)n1 ZINC000192373245 437674846 /nfs/dbraw/zinc/67/48/46/437674846.db2.gz YNRVTTZOFPODRI-VIFPVBQESA-N 0 0 335.393 0.897 10 0 ECAERN CN(C)c1ncccc1O[C@H]1CCN(S(=O)(=O)c2c[nH]cn2)C1 ZINC000366822423 438132994 /nfs/dbraw/zinc/13/29/94/438132994.db2.gz JBVCTEXPWNSMRH-NSHDSACASA-N 0 0 337.405 0.713 10 0 ECAERN CNC(=O)[C@@H]1CCCN(S(=O)(=O)[C@H]2CCC[C@H]2C(=O)OC)C1 ZINC000389627120 438427473 /nfs/dbraw/zinc/42/74/73/438427473.db2.gz STNFXLJMYGHGDM-UTUOFQBUSA-N 0 0 332.422 0.116 10 0 ECAERN O=C(N[C@@H]1CCNC1=O)c1ccc(I)c(O)c1 ZINC000597854874 439194354 /nfs/dbraw/zinc/19/43/54/439194354.db2.gz HDSLZQRYXZFCFE-MRVPVSSYSA-N 0 0 346.124 0.615 10 0 ECAERN Cc1nc(S(=O)(=O)N2CCOC[C@@H]2[C@H]2CCC[C@@H]2O)cn1C ZINC000583616350 439485563 /nfs/dbraw/zinc/48/55/63/439485563.db2.gz HUZQCCQGKGUMJJ-UPJWGTAASA-N 0 0 329.422 0.279 10 0 ECAERN Cn1cc(S(=O)(=O)N[C@@H]2CC[C@@H](C(F)(F)F)N(C)C2)cn1 ZINC000583616444 439486172 /nfs/dbraw/zinc/48/61/72/439486172.db2.gz UWBKHSGVUOJQDI-SCZZXKLOSA-N 0 0 326.344 0.724 10 0 ECAERN Cc1cc(NC(=O)CN[C@@H]2CC(=O)N(C)[C@H]2c2cccnc2)n(C)n1 ZINC000583620137 439488235 /nfs/dbraw/zinc/48/82/35/439488235.db2.gz CRRTUIJWMFGXMC-DYVFJYSZSA-N 0 0 342.403 0.624 10 0 ECAERN O=C(Cc1cnn(-c2ccccc2)c1)N1CC[C@@](O)(c2cn[nH]n2)C1 ZINC000583618456 439488302 /nfs/dbraw/zinc/48/83/02/439488302.db2.gz XKVGNENJQZBDFE-KRWDZBQOSA-N 0 0 338.371 0.653 10 0 ECAERN O=C(CN1CCC[C@@](O)(c2cn[nH]n2)C1)N1CCc2ccccc2C1 ZINC000583617934 439489134 /nfs/dbraw/zinc/48/91/34/439489134.db2.gz KWQGTTQKEIQMEP-SFHVURJKSA-N 0 0 341.415 0.673 10 0 ECAERN O=C(NC[C@@H]1CCOC1)NC[C@@H]1C[C@H](F)CN1Cc1cncnc1 ZINC000583622122 439489679 /nfs/dbraw/zinc/48/96/79/439489679.db2.gz QIKWMORGCOHWNV-QEJZJMRPSA-N 0 0 337.399 0.725 10 0 ECAERN COc1cccc(-c2cccc(S(N)(=O)=O)c2-c2nn[nH]n2)n1 ZINC000584596496 439604251 /nfs/dbraw/zinc/60/42/51/439604251.db2.gz HZGGUCFGNKLGIK-UHFFFAOYSA-N 0 0 332.345 0.585 10 0 ECAERN CS(=O)(=O)N1CCC(c2cnc(N)c(Br)n2)CC1 ZINC000584628210 439604713 /nfs/dbraw/zinc/60/47/13/439604713.db2.gz DQMQWQTYFKYQPC-UHFFFAOYSA-N 0 0 335.227 0.960 10 0 ECAERN NC(=O)c1ccccc1[C@@H]1CNc2ccccc2N1S(N)(=O)=O ZINC000616686749 439820942 /nfs/dbraw/zinc/82/09/42/439820942.db2.gz RJCXLUWUXBYWDQ-AWEZNQCLSA-N 0 0 332.385 0.962 10 0 ECAERN COC[C@]1(C(N)=O)CCCN1S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000643701707 440270058 /nfs/dbraw/zinc/27/00/58/440270058.db2.gz FUMYTYDBLRZWSX-INIZCTEOSA-N 0 0 338.429 0.830 10 0 ECAERN O=C(CN1CCCC[C@H](O)C1=O)Nc1ccn(CC(F)(F)F)n1 ZINC000644402560 440570804 /nfs/dbraw/zinc/57/08/04/440570804.db2.gz MMPHJRYRGDHZHG-VIFPVBQESA-N 0 0 334.298 0.757 10 0 ECAERN CN(C[C@@H]1CN(C)CCO1)C(=O)c1cccc(Cn2ccnn2)c1 ZINC000633916463 440574084 /nfs/dbraw/zinc/57/40/84/440574084.db2.gz QKXIHRHZCTUMEG-INIZCTEOSA-N 0 0 329.404 0.729 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)N[C@@H](C)[C@@H](C)N2CCOCC2)CC1 ZINC000181716890 320527303 /nfs/dbraw/zinc/52/73/03/320527303.db2.gz LKUIJKNNGVMKKW-XHSDSOJGSA-N 0 0 342.484 0.194 10 0 ECAERN CC(=O)NC1CN(C(=O)N[C@H](C)c2ccc(-n3ccnn3)cc2)C1 ZINC000190290300 320539997 /nfs/dbraw/zinc/53/99/97/320539997.db2.gz KHSUSXFLOOTUCJ-LLVKDONJSA-N 0 0 328.376 0.858 10 0 ECAERN CC(C)c1nnc2n1C[C@@H](NC(=O)N1C[C@@H](C)O[C@H](CO)C1)CC2 ZINC000248703820 320543330 /nfs/dbraw/zinc/54/33/30/320543330.db2.gz NWUJVKFJUTVUGB-AGIUHOORSA-N 0 0 337.424 0.508 10 0 ECAERN Cc1noc(CN2CCN(C(=O)C[C@@H](C)N3CCCCC3=O)CC2)n1 ZINC000328740021 320730036 /nfs/dbraw/zinc/73/00/36/320730036.db2.gz IHFJUMGDELWLEI-CYBMUJFWSA-N 0 0 349.435 0.813 10 0 ECAERN C[C@H](CC(=O)N1CCS(=O)(=O)C[C@H](C)C1)N1CCCCC1=O ZINC000328746066 320730641 /nfs/dbraw/zinc/73/06/41/320730641.db2.gz LCLJVKNUOJIRGR-CHWSQXEVSA-N 0 0 330.450 0.671 10 0 ECAERN Cn1nccc1[C@H]1[C@@H](C(=O)N2CC[C@]3(CCOC3)C2)CC(=O)N1C ZINC000328930123 320742263 /nfs/dbraw/zinc/74/22/63/320742263.db2.gz YYIPXOKNDBEVOG-MJEQTWJJSA-N 0 0 332.404 0.579 10 0 ECAERN CCS(=O)(=O)N1CCN(C(=O)C[C@H]2CCCCNC2=O)CC1 ZINC000329314682 320765952 /nfs/dbraw/zinc/76/59/52/320765952.db2.gz AWRMVYPYDZLWKT-GFCCVEGCSA-N 0 0 331.438 0.627 10 0 ECAERN CS(=O)(=O)N1CCN(Cc2nc(COC3CCCC3)no2)CC1 ZINC000329474133 320774182 /nfs/dbraw/zinc/77/41/82/320774182.db2.gz BOABQJMQYFYWMJ-UHFFFAOYSA-N 0 0 344.437 0.606 10 0 ECAERN CC1(Cn2cc(C(=O)N3CCC[C@](O)(C(F)(F)F)C3)nn2)COC1 ZINC000329515556 320776246 /nfs/dbraw/zinc/77/62/46/320776246.db2.gz MILXAFIIDVDJMJ-CYBMUJFWSA-N 0 0 348.325 0.844 10 0 ECAERN CO[C@@H]1CN(C(=O)CSCC(=O)N2CCCCC2)C[C@H]1OC ZINC000330180254 320809397 /nfs/dbraw/zinc/80/93/97/320809397.db2.gz FWIFAILNJCLVDM-CHWSQXEVSA-N 0 0 330.450 0.604 10 0 ECAERN CNC(=O)CC(=O)N1CCOC[C@H]1c1ncnn1Cc1ccccc1 ZINC000375870893 321870838 /nfs/dbraw/zinc/87/08/38/321870838.db2.gz JSXCMFIMZAQPJY-AWEZNQCLSA-N 0 0 343.387 0.362 10 0 ECAERN C[C@H]1CN(C(=O)c2ccccc2-n2cnnn2)C[C@@H]1N1CCOCC1 ZINC000173957936 533884749 /nfs/dbraw/zinc/88/47/49/533884749.db2.gz XOMTXVJVTGPNNO-BBRMVZONSA-N 0 0 342.403 0.455 10 0 ECAERN COC(=O)[C@@H]1CCCCN1C(=O)Cc1c(C)[nH]c2ccnn2c1=O ZINC000171529540 534283086 /nfs/dbraw/zinc/28/30/86/534283086.db2.gz PLOZPBUJTQYJQB-LBPRGKRZSA-N 0 0 332.360 0.428 10 0 ECAERN O=C(NCCNC(=O)c1ccccc1)N[C@H]1CCc2ncnn2C1 ZINC000171867051 534351590 /nfs/dbraw/zinc/35/15/90/534351590.db2.gz INTNXRZAKINIJU-ZDUSSCGKSA-N 0 0 328.376 0.322 10 0 ECAERN Cc1cccc(C[C@H](CO)NC(=O)N[C@@H]2CCc3ncnn3C2)c1 ZINC000190163537 534724929 /nfs/dbraw/zinc/72/49/29/534724929.db2.gz DPUGRABZPZSMME-HUUCEWRRSA-N 0 0 329.404 0.804 10 0 ECAERN O=C1c2ccccc2C(=O)N1C[C@@H](O)CN1CCOC2(CCC2)C1 ZINC000179578499 534851715 /nfs/dbraw/zinc/85/17/15/534851715.db2.gz KBADJXCNUVXCFK-ZDUSSCGKSA-N 0 0 330.384 0.898 10 0 ECAERN CC(=O)NC1CN(C(=O)C(=O)Nc2cncc(Br)c2)C1 ZINC000191340146 526704719 /nfs/dbraw/zinc/70/47/19/526704719.db2.gz LRHXUNJCOLJBQD-UHFFFAOYSA-N 0 0 341.165 0.130 10 0 ECAERN CC(C)(C)C(=O)Cn1cc(C(=O)N[C@H]2CCCn3ncnc32)nn1 ZINC000176130717 527567018 /nfs/dbraw/zinc/56/70/18/527567018.db2.gz XLVHCBKUKNBZFB-JTQLQIEISA-N 0 0 331.380 0.750 10 0 ECAERN CCN(C)C(=O)CNC(=O)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000186181611 527711806 /nfs/dbraw/zinc/71/18/06/527711806.db2.gz WSUFYLSEQKPLCR-MRXNPFEDSA-N 0 0 348.447 0.526 10 0 ECAERN CC(C)NC(=O)CCNC(=O)N[C@H]1CCc2nnc(C(C)C)n2C1 ZINC000181426253 529123921 /nfs/dbraw/zinc/12/39/21/529123921.db2.gz CRZDDQOXVJSWMG-LBPRGKRZSA-N 0 0 336.440 0.930 10 0 ECAERN CC[C@H]1CN(C(=O)C(=O)Nc2cccc(C)n2)CCN1CCOC ZINC000193278282 536105890 /nfs/dbraw/zinc/10/58/90/536105890.db2.gz IFQRVQSRCIGNEF-AWEZNQCLSA-N 0 0 334.420 0.898 10 0 ECAERN CN[C@@H](C(=O)NCc1cccc(OCC(=O)OC)c1)c1cnn(C)c1 ZINC000262547939 536336136 /nfs/dbraw/zinc/33/61/36/536336136.db2.gz OFWDLDQTZGKSFA-MRXNPFEDSA-N 0 0 346.387 0.549 10 0 ECAERN CN[C@H](C(=O)NCC(=O)NCc1ccc(OC)cc1)c1cnn(C)c1 ZINC000262489742 536380863 /nfs/dbraw/zinc/38/08/63/536380863.db2.gz HMGDRSPMKUGNPE-INIZCTEOSA-N 0 0 345.403 0.122 10 0 ECAERN COc1cc(N2Cc3ccnn3[C@@H](COCC(=O)N(C)C)C2)ncn1 ZINC000247956787 536833244 /nfs/dbraw/zinc/83/32/44/536833244.db2.gz CZQNJYQADMDSIU-CYBMUJFWSA-N 0 0 346.391 0.348 10 0 ECAERN CN1C[C@H](CNS(=O)(=O)c2ccc3c(c2)OCCO3)CC1=O ZINC000074863312 545686478 /nfs/dbraw/zinc/68/64/78/545686478.db2.gz SISJZXYNYCTZLW-JTQLQIEISA-N 0 0 326.374 0.214 10 0 ECAERN CCn1cc(CN2CCCN(C(=O)[C@@H]3CC(=O)N(C)C3)CC2)cn1 ZINC000105830214 545737204 /nfs/dbraw/zinc/73/72/04/545737204.db2.gz LZXNMTNHINFZSJ-OAHLLOKOSA-N 0 0 333.436 0.416 10 0 ECAERN CC[C@@H]1CN(S(=O)(=O)CC[C@@H]2CCCO2)CCN1CCOC ZINC000120922034 545753301 /nfs/dbraw/zinc/75/33/01/545753301.db2.gz BYDRNQOOOILFMQ-CABCVRRESA-N 0 0 334.482 0.928 10 0 ECAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)[C@@H]1CCCCN1S(C)(=O)=O ZINC000177692687 545874695 /nfs/dbraw/zinc/87/46/95/545874695.db2.gz MGFCXPGQSLHZHE-NEPJUHHUSA-N 0 0 341.437 0.352 10 0 ECAERN O=C(Nc1cnn(CC2CC2)c1)C(=O)N1CCN2CCCC[C@@H]2C1 ZINC000177969539 545877388 /nfs/dbraw/zinc/87/73/88/545877388.db2.gz LKKZYVUHVYGXOW-OAHLLOKOSA-N 0 0 331.420 0.928 10 0 ECAERN CN1CCO[C@H](CNC(=O)C(=O)Nc2ccnn2-c2ccccc2)C1 ZINC000179365911 545881422 /nfs/dbraw/zinc/88/14/22/545881422.db2.gz LTMPFCZNIVPFKT-CQSZACIVSA-N 0 0 343.387 0.258 10 0 ECAERN CC1(C)CN(CC(F)(F)F)CCN1C[C@H](O)CN1CCCC1=O ZINC000182234168 545887765 /nfs/dbraw/zinc/88/77/65/545887765.db2.gz LQUZKVXHVACAAD-GFCCVEGCSA-N 0 0 337.386 0.928 10 0 ECAERN Cc1noc2ncnc(N3CCN(c4ccc5nncn5n4)CC3)c12 ZINC000193394220 545911262 /nfs/dbraw/zinc/91/12/62/545911262.db2.gz WWCVWAXLZFIICW-UHFFFAOYSA-N 0 0 337.347 0.691 10 0 ECAERN O=C(CN1CCOC1=O)N1CCCn2nc([C@H](O)C3CCC3)cc2C1 ZINC000222463359 545922019 /nfs/dbraw/zinc/92/20/19/545922019.db2.gz JSIYKRYKOUFKAP-MRXNPFEDSA-N 0 0 348.403 0.901 10 0 ECAERN CN1CCO[C@@H](CNC(=O)N[C@H]2CCN(C(=O)C3CCCC3)C2)C1 ZINC000246600857 545939791 /nfs/dbraw/zinc/93/97/91/545939791.db2.gz SRDIZVFXUHYDGS-GJZGRUSLSA-N 0 0 338.452 0.407 10 0 ECAERN CS(=O)(=O)N1CCC[C@@H]1C(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000248031352 545942427 /nfs/dbraw/zinc/94/24/27/545942427.db2.gz QNMRLJGYLXHRCW-GZBFAFLISA-N 0 0 330.450 0.564 10 0 ECAERN C[C@@H]1CN(C(=O)CN2CCOCC2)C[C@H](c2nc(C3CC3)no2)O1 ZINC000623173592 546743629 /nfs/dbraw/zinc/74/36/29/546743629.db2.gz URYQAEXMZUYPOX-DGCLKSJQSA-N 0 0 336.392 0.568 10 0 ECAERN O=C1CCCN1C1CCN(CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)CC1 ZINC000104656784 589015680 /nfs/dbraw/zinc/01/56/80/589015680.db2.gz MIRPZHRSJVIYIL-GJZGRUSLSA-N 0 0 331.416 0.982 10 0 ECAERN CS(=O)(=O)N1CCCN(S(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000024436590 586311820 /nfs/dbraw/zinc/31/18/20/586311820.db2.gz VBNFNIYAWYHYQD-MDWZMJQESA-N 0 0 344.458 0.954 10 0 ECAERN Cc1noc([C@H]2COCCN2C2CN(C(=O)c3ccccn3)C2)n1 ZINC000888094694 586348900 /nfs/dbraw/zinc/34/89/00/586348900.db2.gz AUBBYTUJGLXPSU-CQSZACIVSA-N 0 0 329.360 0.671 10 0 ECAERN CNC(=O)[C@H]1CC(=O)N(C2CN(Cc3ccnn3CC3CC3)C2)C1 ZINC000888099092 586350424 /nfs/dbraw/zinc/35/04/24/586350424.db2.gz RLVOBQVCCMTUBR-ZDUSSCGKSA-N 0 0 331.420 0.072 10 0 ECAERN CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(C(=O)CN2CCOCC2=O)C1 ZINC000888103194 586350692 /nfs/dbraw/zinc/35/06/92/586350692.db2.gz OBSXJNRQQRFZQQ-OLZOCXBDSA-N 0 0 336.392 0.174 10 0 ECAERN O=C(NCC=C(Cl)Cl)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1 ZINC000898304654 586414729 /nfs/dbraw/zinc/41/47/29/586414729.db2.gz PWASXYJXTSWOOW-VHSXEESVSA-N 0 0 337.203 0.828 10 0 ECAERN O=C(N[C@@H]1CCc2ncnn2C1)c1cccn1CCN1CCOCC1 ZINC000906667807 586963813 /nfs/dbraw/zinc/96/38/13/586963813.db2.gz HSKBKXAFPHMQPF-CQSZACIVSA-N 0 0 344.419 0.157 10 0 ECAERN O=C(N[C@H]1CCc2ncnn2C1)c1cccn1CCN1CCOCC1 ZINC000906667806 586963821 /nfs/dbraw/zinc/96/38/21/586963821.db2.gz HSKBKXAFPHMQPF-AWEZNQCLSA-N 0 0 344.419 0.157 10 0 ECAERN Cn1cc(C(=O)NC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)n(C)c1=O ZINC000907340778 587034871 /nfs/dbraw/zinc/03/48/71/587034871.db2.gz LTKQNLZHQWYRFZ-NSHDSACASA-N 0 0 338.408 0.711 10 0 ECAERN CCn1cc(O[C@@H]2COC[C@@H]2NC(=O)Cc2c(C)n[nH]c2C)cn1 ZINC000818600680 587440041 /nfs/dbraw/zinc/44/00/41/587440041.db2.gz BKQSKWHCGYRLPN-LSDHHAIUSA-N 0 0 333.392 0.748 10 0 ECAERN O=C(CN1CCN(C[C@H](O)c2ccccc2)CC1)NC(=O)NC1CC1 ZINC000105820360 589139854 /nfs/dbraw/zinc/13/98/54/589139854.db2.gz SZDURJMYXICKTE-INIZCTEOSA-N 0 0 346.431 0.326 10 0 ECAERN Cc1cnn(C[C@H]2CN(Cn3nnc4ccccc4c3=O)CCO2)c1 ZINC000112071296 589576820 /nfs/dbraw/zinc/57/68/20/589576820.db2.gz ZFJQYBSEXBWFJP-CQSZACIVSA-N 0 0 340.387 0.655 10 0 ECAERN Cc1cnn(C[C@@H]2CN(CN3C(=O)N[C@@H](CC(C)C)C3=O)CCO2)c1 ZINC000112071649 589576869 /nfs/dbraw/zinc/57/68/69/589576869.db2.gz BHSXIUUTYQOCLV-GJZGRUSLSA-N 0 0 349.435 0.816 10 0 ECAERN COC(=O)c1cn(CN2CCN(C[C@@H](O)c3ccccc3)CC2)nn1 ZINC000118951675 589941445 /nfs/dbraw/zinc/94/14/45/589941445.db2.gz PLFIYBJVKCNHAL-MRXNPFEDSA-N 0 0 345.403 0.373 10 0 ECAERN Cc1noc([C@@H]2CC(=O)N(C3CN(C(=O)c4ccc(C)n4C)C3)C2)n1 ZINC000864676878 590092824 /nfs/dbraw/zinc/09/28/24/590092824.db2.gz GNGQRKNTSSALMP-GFCCVEGCSA-N 0 0 343.387 0.865 10 0 ECAERN COCCn1c(C)c(C)n(CN2C[C@@H](C)O[C@@H](C(N)=O)C2)c1=S ZINC000120205175 590100560 /nfs/dbraw/zinc/10/05/60/590100560.db2.gz FYNHKGAXKDHNRM-ZWNOBZJWSA-N 0 0 342.465 0.814 10 0 ECAERN Cc1cc(C)n2c(nn(CN3C[C@@H](C)O[C@@H](C(N)=O)C3)c2=S)n1 ZINC000120208925 590101073 /nfs/dbraw/zinc/10/10/73/590101073.db2.gz RLJFSOFQXNPBOV-GHMZBOCLSA-N 0 0 336.421 0.409 10 0 ECAERN CC(C)(C)[S@@](=O)CCNC(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000120261804 590111714 /nfs/dbraw/zinc/11/17/14/590111714.db2.gz QQTJZUGMDSNWQK-JCQPUDPBSA-N 0 0 342.465 0.841 10 0 ECAERN O=C(C[C@@H]1CS(=O)(=O)CCN1)NCCSc1ccccc1 ZINC000126614945 590474630 /nfs/dbraw/zinc/47/46/30/590474630.db2.gz FNADHBBABWAXNA-GFCCVEGCSA-N 0 0 328.459 0.672 10 0 ECAERN Cc1ccc(C[C@@H](C)NC(=O)C[C@H]2CS(=O)(=O)CCN2)s1 ZINC000126791865 590486075 /nfs/dbraw/zinc/48/60/75/590486075.db2.gz BCGRGGBKPKCSSX-PWSUYJOCSA-N 0 0 330.475 0.880 10 0 ECAERN COc1cccc(/C(C)=C/C(=O)NC[C@H](O)CN2CCOCC2)c1 ZINC000132350580 590632399 /nfs/dbraw/zinc/63/23/99/590632399.db2.gz MWJTUQPLJCBKAW-DKGMDFAASA-N 0 0 334.416 0.908 10 0 ECAERN CCN1C(=O)CO[C@@H](CNC(=O)c2ccoc2)[C@@H]1c1nccn1C ZINC000886027417 590787095 /nfs/dbraw/zinc/78/70/95/590787095.db2.gz XDKSSHRPNIPJKM-GXTWGEPZSA-N 0 0 332.360 0.732 10 0 ECAERN CO[C@@H]1CCCCN(CC(=O)NCc2nnc(C)n2C2CC2)C1=O ZINC000886074767 590790999 /nfs/dbraw/zinc/79/09/99/590790999.db2.gz VPKKRFUVOQWNDR-CYBMUJFWSA-N 0 0 335.408 0.565 10 0 ECAERN Cn1cnnc1C[C@]1(O)CCCN(C(=O)c2ccc3c(c2)OCO3)C1 ZINC000886084751 590792409 /nfs/dbraw/zinc/79/24/09/590792409.db2.gz DSLQNSZFLIHSTH-QGZVFWFLSA-N 0 0 344.371 0.754 10 0 ECAERN CO[C@@H]1CN(C(=O)c2cnc3[nH]ccc3c2)C[C@H]1c1cn(C)nn1 ZINC000886084829 590792696 /nfs/dbraw/zinc/79/26/96/590792696.db2.gz KKHYGXJOUCGWFR-GXTWGEPZSA-N 0 0 326.360 0.898 10 0 ECAERN CCS(=O)(=O)N1CC[C@@H](Oc2ccnc(CNC(C)=O)c2)C1 ZINC000886080302 590792747 /nfs/dbraw/zinc/79/27/47/590792747.db2.gz UWIRWMMBBAJQRD-CQSZACIVSA-N 0 0 327.406 0.521 10 0 ECAERN Cn1nccc1[C@H]1[C@H](CNS(=O)(=O)c2ccco2)OCCN1C ZINC000886093432 590794234 /nfs/dbraw/zinc/79/42/34/590794234.db2.gz PLPZFLCFPUYUBA-JSGCOSHPSA-N 0 0 340.405 0.363 10 0 ECAERN CC(=O)CCN(C)C(=O)[C@H](C)NS(=O)(=O)c1ccccc1F ZINC000135181152 590872368 /nfs/dbraw/zinc/87/23/68/590872368.db2.gz YJDDSGYDCLIOEL-NSHDSACASA-N 0 0 330.381 0.930 10 0 ECAERN C[C@H](NC(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1)c1nnnn1C1CC1 ZINC000188951859 611444642 /nfs/dbraw/zinc/44/46/42/611444642.db2.gz PMVDWCTXAHODFH-SGMGOOAPSA-N 0 0 349.439 0.431 10 0 ECAERN CCCO[C@H](C)C(=O)NCC1CCN(c2cnn(C)c(=O)c2)CC1 ZINC000077284882 608915485 /nfs/dbraw/zinc/91/54/85/608915485.db2.gz URZZKKADGOUSKA-CYBMUJFWSA-N 0 0 336.436 0.928 10 0 ECAERN Cc1cc(C(F)(F)F)nn1CC(=O)N[C@@H]1C[C@H](O)[C@@H]1n1cccn1 ZINC000909188418 609680960 /nfs/dbraw/zinc/68/09/60/609680960.db2.gz WFCCSIHIIVIKSI-GBIKHYSHSA-N 0 0 343.309 0.898 10 0 ECAERN O=C(N[C@@H]1C[C@H](O)[C@@H]1n1cccn1)[C@H]1CCO[C@@H]1c1cccnc1 ZINC000909181106 609681282 /nfs/dbraw/zinc/68/12/82/609681282.db2.gz NBDNPQKMRDUQQY-ZVDSWSACSA-N 0 0 328.372 0.846 10 0 ECAERN Cc1noc(-c2cnc(C)n(CCC(=O)NC[C@H]3CCCO3)c2=O)n1 ZINC000222853081 609705336 /nfs/dbraw/zinc/70/53/36/609705336.db2.gz BSOZVMWGIQRMAT-GFCCVEGCSA-N 0 0 347.375 0.595 10 0 ECAERN CNC(=O)CCNC(=O)c1nn2c(c1Br)OCCC2 ZINC000223791353 609714340 /nfs/dbraw/zinc/71/43/40/609714340.db2.gz ZNWKXCANOSBZLN-UHFFFAOYSA-N 0 0 331.170 0.294 10 0 ECAERN CCn1nc(C)c2c1cnn2CCC(=O)N1CCN(C(C)=O)CC1 ZINC000223875905 609715348 /nfs/dbraw/zinc/71/53/48/609715348.db2.gz WCGOWIWAHLHLAA-UHFFFAOYSA-N 0 0 332.408 0.642 10 0 ECAERN C[C@@H]1Nc2ncnc(N3CCN(C(=O)c4ccco4)CC3)c2NC1=O ZINC000223979339 609715843 /nfs/dbraw/zinc/71/58/43/609715843.db2.gz NDYVPMNNUNYWFX-JTQLQIEISA-N 0 0 342.359 0.785 10 0 ECAERN Cc1noc([C@@H]2CN(C(=O)c3n[nH]c4ccccc43)C[C@H]2C(N)=O)n1 ZINC000169791116 609747254 /nfs/dbraw/zinc/74/72/54/609747254.db2.gz MAJQZZFQWZJRIC-GHMZBOCLSA-N 0 0 340.343 0.595 10 0 ECAERN C[C@H]1C[C@H]1NC(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000171853274 609765147 /nfs/dbraw/zinc/76/51/47/609765147.db2.gz DMGOKJIRXARNBA-WCBMZHEXSA-N 0 0 325.381 0.958 10 0 ECAERN COC[C@]1(C)NC(=O)N(CN2CCC(Cn3cccn3)CC2)C1=O ZINC000152746606 609877005 /nfs/dbraw/zinc/87/70/05/609877005.db2.gz VERWQYPANGWLCZ-INIZCTEOSA-N 0 0 335.408 0.510 10 0 ECAERN COC(=O)[C@@H]1CC(=O)N(CN2CCc3c(nc(C(C)C)n3C)C2)C1 ZINC000181376872 610175093 /nfs/dbraw/zinc/17/50/93/610175093.db2.gz UIAUAGQOWHUNKU-GFCCVEGCSA-N 0 0 334.420 0.881 10 0 ECAERN CC(C)[C@@H](NC(N)=O)C(=O)NCc1ccc(N2CCO[C@@H](C)C2)nc1 ZINC000069486275 610193976 /nfs/dbraw/zinc/19/39/76/610193976.db2.gz WIJRDKYDSVDZAX-SWLSCSKDSA-N 0 0 349.435 0.616 10 0 ECAERN CNC(=O)CCCC(=O)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000183576775 610547948 /nfs/dbraw/zinc/54/79/48/610547948.db2.gz AJHPURBLZFSULM-INIZCTEOSA-N 0 0 333.432 0.781 10 0 ECAERN C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCc1cccnc1 ZINC000193154094 612154753 /nfs/dbraw/zinc/15/47/53/612154753.db2.gz QPCILUSWZFGOBN-LLVKDONJSA-N 0 0 344.396 0.825 10 0 ECAERN O=C1[C@@H]2CC=CC[C@H]2C(=O)N1CN1CCC[C@H](Cn2ccnn2)C1 ZINC000246634539 612337337 /nfs/dbraw/zinc/33/73/37/612337337.db2.gz RQSSSPGKPQKBPV-RRFJBIMHSA-N 0 0 329.404 0.899 10 0 ECAERN O=C1CCCN1C[C@H](O)CN1CCOC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000246059378 612762735 /nfs/dbraw/zinc/76/27/35/612762735.db2.gz QZPJVFPQMAWDCG-RCCFBDPRSA-N 0 0 348.443 0.794 10 0 ECAERN CCCn1cc(NC(=O)C(=O)N2CCN(C[C@H](C)O)[C@H](C)C2)cn1 ZINC000246304089 612894567 /nfs/dbraw/zinc/89/45/67/612894567.db2.gz YFMCDDOPQMBMGH-OLZOCXBDSA-N 0 0 337.424 0.145 10 0 ECAERN Cc1nc2c(nccc2C(=O)N2CCC[C@](O)(Cn3ccnn3)C2)[nH]1 ZINC000328950579 740408612 /nfs/dbraw/zinc/40/86/12/740408612.db2.gz NKPFNPNDQSHZIP-MRXNPFEDSA-N 0 0 341.375 0.525 10 0 ECAERN CO[C@@H]1C[C@@H](c2nc[nH]n2)N(C(=O)c2ccnc3[nH]c(C)nc32)C1 ZINC000328933361 740412564 /nfs/dbraw/zinc/41/25/64/740412564.db2.gz BURHGDIOSLXBLX-KOLCDFICSA-N 0 0 327.348 0.987 10 0 ECAERN Cc1noc([C@@H]2CCN(C(=O)[C@H]3CC(=O)N(c4cn[nH]c4)C3)C2)n1 ZINC000329064322 740419112 /nfs/dbraw/zinc/41/91/12/740419112.db2.gz OMQBHLBZHKDABL-MNOVXSKESA-N 0 0 330.348 0.470 10 0 ECAERN COC[C@H]1CN([C@@H]2CCN(C3CCOCC3)C2=O)CC(C)(C)O1 ZINC000328940145 752566511 /nfs/dbraw/zinc/56/65/11/752566511.db2.gz HLYDFRDVDBDUHW-HUUCEWRRSA-N 0 0 326.437 0.892 10 0 ECAERN Cn1ccnc1[C@@H]1CN([C@@H]2CCN(C3CCOCC3)C2=O)CCN1C ZINC000329893840 755244086 /nfs/dbraw/zinc/24/40/86/755244086.db2.gz BACCJUNBOAYVEX-CVEARBPZSA-N 0 0 347.463 0.489 10 0 ECAERN CCn1ccnc(N2CCC(NC(=O)c3noc(C)n3)CC2)c1=O ZINC000329929413 755252663 /nfs/dbraw/zinc/25/26/63/755252663.db2.gz YSZYYWOWMOUEPT-UHFFFAOYSA-N 0 0 332.364 0.353 10 0 ECAERN C[C@H](NC(=O)N(C)[C@@H]1CCCN(c2cccnn2)C1)C(=O)N(C)C ZINC000172446676 299073714 /nfs/dbraw/zinc/07/37/14/299073714.db2.gz CJTNBGVRZJNEFS-QWHCGFSZSA-N 0 0 334.424 0.564 10 0 ECAERN CCc1nnc([C@@H]2CN(C(=O)NCCn3cc(C)cn3)CCO2)[nH]1 ZINC000178137449 529698996 /nfs/dbraw/zinc/69/89/96/529698996.db2.gz HPEBQONFIASMTJ-LBPRGKRZSA-N 0 0 333.396 0.655 10 0 ECAERN CCc1nnc([C@@H]2CN(c3c(C)c(C)nc4ncnn43)CCO2)[nH]1 ZINC000131663405 529700877 /nfs/dbraw/zinc/70/08/77/529700877.db2.gz KZGVGUGHMCRPLH-NSHDSACASA-N 0 0 328.380 1.000 10 0 ECAERN CC(=O)c1ccc(N2C(=O)C[C@H](SC[C@@H]([NH3+])C(=O)[O-])C2=O)cc1 ZINC000100856291 219109355 /nfs/dbraw/zinc/10/93/55/219109355.db2.gz ASLXFXOQPBZWID-NEPJUHHUSA-N 0 0 336.369 0.666 10 0 ECAERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1ccc2scnc2c1 ZINC000178396972 529901733 /nfs/dbraw/zinc/90/17/33/529901733.db2.gz BFHYUIQIAJXDKI-NSHDSACASA-N 0 0 332.385 0.972 10 0 ECAERN COc1ccccc1OC[C@@H]1N(C(=O)C[S@@](C)=O)CC[S@]1=O ZINC000101328748 219122621 /nfs/dbraw/zinc/12/26/21/219122621.db2.gz IYIWYGYJTBWFFC-GBSMKCJWSA-N 0 0 345.442 0.370 10 0 ECAERN O=C(Nc1cccc(F)c1)C(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000177652186 231948459 /nfs/dbraw/zinc/94/84/59/231948459.db2.gz JKTQHRDPTNJSGO-CQSZACIVSA-N 0 0 332.335 0.888 10 0 ECAERN CCC1=N[C@@]2(CC[C@@H]3CN(S(=O)(=O)C4CC4)C[C@@H]32)C(=O)N1C ZINC000096087550 282535739 /nfs/dbraw/zinc/53/57/39/282535739.db2.gz CAPXXJZBEAUZBW-IFUGULHKSA-N 0 0 325.434 0.840 10 0 ECAERN CN(CC(=O)NC1CC1)C(=O)[C@H](Cc1ccccc1)n1cnnn1 ZINC000102843884 219234854 /nfs/dbraw/zinc/23/48/54/219234854.db2.gz OSGIPJPOKSOGSH-AWEZNQCLSA-N 0 0 328.376 0.194 10 0 ECAERN NC(=O)[C@@H]1COCCN1C(=O)CCC(=O)c1ccc(F)cc1F ZINC000180197033 233781719 /nfs/dbraw/zinc/78/17/19/233781719.db2.gz WWOOUVCCTQAYHA-LBPRGKRZSA-N 0 0 326.299 0.640 10 0 ECAERN O=C(NCCNC(=O)N1CC[C@]2(O)CCCC[C@H]2C1)c1ccn[nH]1 ZINC000181704913 234292061 /nfs/dbraw/zinc/29/20/61/234292061.db2.gz DZXHJYOGDPRKJD-BLLLJJGKSA-N 0 0 335.408 0.476 10 0 ECAERN COCC(=O)NCCc1nc2ccccc2n1CC(=O)NC(C)C ZINC000040299224 213289862 /nfs/dbraw/zinc/28/98/62/213289862.db2.gz ANGCOYUGRVVHKM-UHFFFAOYSA-N 0 0 332.404 0.866 10 0 ECAERN Cc1cc(=O)n(C)cc1NC(=O)C(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000183135823 234914777 /nfs/dbraw/zinc/91/47/77/234914777.db2.gz RYQHVBNCYBYVGQ-ACJLOTCBSA-N 0 0 347.415 0.786 10 0 ECAERN Cc1ccc(S(=O)(=O)NCCS(C)(=O)=O)c2c1NCCC2 ZINC000038005483 213189353 /nfs/dbraw/zinc/18/93/53/213189353.db2.gz WPLFLDRFZWYOJP-UHFFFAOYSA-N 0 0 332.447 0.676 10 0 ECAERN CCCCNC(=O)NC(=O)CN1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000105892047 219581199 /nfs/dbraw/zinc/58/11/99/219581199.db2.gz QJLIONWKBHLFOX-CQSZACIVSA-N 0 0 337.424 0.518 10 0 ECAERN Cc1ccc(C(=O)NCCNC(=O)N2CC(NC(=O)C3CC3)C2)cc1 ZINC000187069815 236108731 /nfs/dbraw/zinc/10/87/31/236108731.db2.gz IHJDXWGKKWYXGH-UHFFFAOYSA-N 0 0 344.415 0.645 10 0 ECAERN Cc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1cnn(CC(F)F)c1 ZINC000187392689 236198259 /nfs/dbraw/zinc/19/82/59/236198259.db2.gz VFHDZWGHBSNJCA-SNVBAGLBSA-N 0 0 346.363 0.862 10 0 ECAERN CN1CCN(S(=O)(=O)c2ccc(Br)cc2N)CC1 ZINC000037054505 213131652 /nfs/dbraw/zinc/13/16/52/213131652.db2.gz KOXCOKWCGCUCPG-UHFFFAOYSA-N 0 0 334.239 0.967 10 0 ECAERN NC(=O)C[C@H](N)C(=O)Nc1ccc(I)cc1 ZINC000037481892 213148806 /nfs/dbraw/zinc/14/88/06/213148806.db2.gz UNDCIOAFFNROLN-QMMMGPOBSA-N 0 0 333.129 0.432 10 0 ECAERN COc1ccc(Cn2cnc3c(nnc4ccnn43)c2=O)cc1OC ZINC000072449687 216238356 /nfs/dbraw/zinc/23/83/56/216238356.db2.gz MZCLKORASLPUHF-UHFFFAOYSA-N 0 0 338.327 0.900 10 0 ECAERN CSc1n[nH]c(-n2ccc3c(c(C)nc4nc(C)nn43)c2=O)n1 ZINC000072449522 216239099 /nfs/dbraw/zinc/23/90/99/216239099.db2.gz GXYSWAVIAKHNJC-UHFFFAOYSA-N 0 0 328.361 0.885 10 0 ECAERN Cc1cc(C(=O)N[C@H]2CCCC[C@H]2O)cc(S(N)(=O)=O)c1C ZINC000130513931 223158795 /nfs/dbraw/zinc/15/87/95/223158795.db2.gz WWTMUWKOGHRMFJ-QWHCGFSZSA-N 0 0 326.418 0.984 10 0 ECAERN Cc1cc(O)cc(=O)n1CC(=O)N[C@H]1CCCN(c2cccnn2)C1 ZINC000130908349 223186746 /nfs/dbraw/zinc/18/67/46/223186746.db2.gz ORPJOLVROACBBB-ZDUSSCGKSA-N 0 0 343.387 0.438 10 0 ECAERN Cc1cc(O)cc(=O)n1CC(=O)N1CCC(Cn2cccn2)CC1 ZINC000131576572 223247830 /nfs/dbraw/zinc/24/78/30/223247830.db2.gz WKIHNJYTCQALLE-UHFFFAOYSA-N 0 0 330.388 0.998 10 0 ECAERN COC(=O)c1ccc(N2CCN([C@@H](C)c3nc(C)no3)CC2)nn1 ZINC000108947499 219934341 /nfs/dbraw/zinc/93/43/41/219934341.db2.gz LZRBYINWRUEJQV-JTQLQIEISA-N 0 0 332.364 0.838 10 0 ECAERN CCn1ncnc1CN1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000193338569 240117143 /nfs/dbraw/zinc/11/71/43/240117143.db2.gz QJYMSABQCXDABN-INIZCTEOSA-N 0 0 345.447 0.856 10 0 ECAERN COCCN1CCN(C(=O)C(=O)Nc2ccc(Cl)cn2)C[C@@H]1C ZINC000193276967 240087283 /nfs/dbraw/zinc/08/72/83/240087283.db2.gz HRXRRAVZLYWYQU-NSHDSACASA-N 0 0 340.811 0.853 10 0 ECAERN CNS(=O)(=O)CCNc1ccccc1S(=O)(=O)C(F)(F)F ZINC000221041250 241455124 /nfs/dbraw/zinc/45/51/24/241455124.db2.gz ZLFFNLWXTWKJRD-UHFFFAOYSA-N 0 0 346.352 0.941 10 0 ECAERN O=C(c1ccc(Cl)cc1)N1CC(=O)N[C@@H]2CS(=O)(=O)C[C@H]21 ZINC000227123967 242121265 /nfs/dbraw/zinc/12/12/65/242121265.db2.gz UXPTXLGMDOKJTR-GHMZBOCLSA-N 0 0 328.777 0.078 10 0 ECAERN O=C(NC[C@H]1CCCC[C@H]1O)C(=O)Nc1ccc(-n2cccn2)nc1 ZINC000077940060 217003545 /nfs/dbraw/zinc/00/35/45/217003545.db2.gz KBNGSANZKDBWEX-TZMCWYRMSA-N 0 0 343.387 0.873 10 0 ECAERN Cn1c(=O)oc2cc(NC(=O)C(=O)NC[C@H]3CCCC[C@H]3O)ccc21 ZINC000077938859 217003709 /nfs/dbraw/zinc/00/37/09/217003709.db2.gz LNAOTAUANOTNAV-ZWNOBZJWSA-N 0 0 347.371 0.737 10 0 ECAERN CCOCCOCC(=O)N1CCO[C@@H](Cn2nc(C)cc2C)C1 ZINC000110901203 220077481 /nfs/dbraw/zinc/07/74/81/220077481.db2.gz SSXCHMAWHVGIDV-OAHLLOKOSA-N 0 0 325.409 0.780 10 0 ECAERN CN1CCO[C@H](CNC(=O)CNC(=O)N2CCc3ccccc3C2)C1 ZINC000111587820 220168020 /nfs/dbraw/zinc/16/80/20/220168020.db2.gz KMDNTFWNGXNSBT-MRXNPFEDSA-N 0 0 346.431 0.201 10 0 ECAERN CN(CCc1ccccn1)C(=O)CNC(=O)N[C@H]1CCCC[C@@H]1CO ZINC000081491641 217405807 /nfs/dbraw/zinc/40/58/07/217405807.db2.gz HVDWUNMLBOJBJJ-ZBFHGGJFSA-N 0 0 348.447 0.933 10 0 ECAERN Cc1cnn(C[C@@H]2CN(C(=O)[C@@H](C)NC(=O)c3ccco3)CCO2)c1 ZINC000112066542 220237203 /nfs/dbraw/zinc/23/72/03/220237203.db2.gz HZNYZHLIMUHSPI-KGLIPLIRSA-N 0 0 346.387 0.830 10 0 ECAERN NS(=O)(=O)c1cncc(OC2CC2)c1I ZINC000095712813 295291145 /nfs/dbraw/zinc/29/11/45/295291145.db2.gz GKOAFOAIERXGCG-UHFFFAOYSA-N 0 0 340.142 0.875 10 0 ECAERN NC(=O)[C@@H]1COCCN1C(=O)c1cc(Cl)nc(N2CCCC2)c1 ZINC000091779763 218065144 /nfs/dbraw/zinc/06/51/44/218065144.db2.gz KZCWEBXGXGWNSM-NSHDSACASA-N 0 0 338.795 0.662 10 0 ECAERN NC(=O)[C@@H]1COCCN1C(=O)Cc1ccccc1Br ZINC000091783841 218066134 /nfs/dbraw/zinc/06/61/34/218066134.db2.gz XEMACBRNTBSYRG-NSHDSACASA-N 0 0 327.178 0.704 10 0 ECAERN NC(=O)[C@H]1COCCN1C(=O)Cc1ccc(Br)cc1 ZINC000091784153 218066187 /nfs/dbraw/zinc/06/61/87/218066187.db2.gz KGCAVNFXHYSLPC-LLVKDONJSA-N 0 0 327.178 0.704 10 0 ECAERN CCS(=O)(=O)N1Cc2nccn2C[C@@H](Cn2nc(C)nc2C)C1 ZINC000096188721 218657292 /nfs/dbraw/zinc/65/72/92/218657292.db2.gz HDVPMFSIRGOBFC-CYBMUJFWSA-N 0 0 338.437 0.573 10 0 ECAERN CN1CCN(Cc2cccnc2)[C@@]2(CCN(c3ncccn3)C2)C1=O ZINC000096229611 218706897 /nfs/dbraw/zinc/70/68/97/218706897.db2.gz LLWOYENGQUYARH-GOSISDBHSA-N 0 0 338.415 0.795 10 0 ECAERN CC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2cnn([C@H](C)C3CC3)c2)C1 ZINC000188529400 207730812 /nfs/dbraw/zinc/73/08/12/207730812.db2.gz GNOYPCSEDVLVGF-RISCZKNCSA-N 0 0 347.419 0.920 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)C(=O)Nc2ccccc2N(C)C)CC1 ZINC000189470772 207742336 /nfs/dbraw/zinc/74/23/36/207742336.db2.gz PKOMNDINFFPNGG-AWEZNQCLSA-N 0 0 348.447 0.606 10 0 ECAERN C[C@@H](NC(=O)CN1CCC(=O)NC1=O)c1cccc(-n2ccnc2)c1 ZINC000173915004 533072224 /nfs/dbraw/zinc/07/22/24/533072224.db2.gz BXTDJGIBHWQBKV-GFCCVEGCSA-N 0 0 341.371 0.991 10 0 ECAERN Cc1ccc2c(c1)C(=O)N(CC(=O)N[C@@H]1CCc3ncnn3C1)C2=O ZINC000112650034 220363724 /nfs/dbraw/zinc/36/37/24/220363724.db2.gz MXQRBFIJZXMGSX-LLVKDONJSA-N 0 0 339.355 0.314 10 0 ECAERN O=C(N[C@@H]1CCc2ncnn2C1)[C@H]1CCCN1C(=O)C1CCCC1 ZINC000112650455 220364135 /nfs/dbraw/zinc/36/41/35/220364135.db2.gz UFSCVUMOPOWYEM-ZIAGYGMSSA-N 0 0 331.420 0.890 10 0 ECAERN O=C(N[C@@H]1CCc2ncnn2C1)c1cc(Cl)ccc1-n1cnnn1 ZINC000112655057 220365620 /nfs/dbraw/zinc/36/56/20/220365620.db2.gz YCCYTNCUQCRPDD-SNVBAGLBSA-N 0 0 344.766 0.652 10 0 ECAERN O=C(CCCc1ccc2[nH]c(=O)[nH]c2c1)N[C@@H]1CCc2ncnn2C1 ZINC000112659660 220366625 /nfs/dbraw/zinc/36/66/25/220366625.db2.gz IQDHWGAZANVGDD-GFCCVEGCSA-N 0 0 340.387 0.902 10 0 ECAERN CCn1cc(CN2CCCN(S(=O)(=O)CCOC)CC2)cn1 ZINC000112707613 220381355 /nfs/dbraw/zinc/38/13/55/220381355.db2.gz NALOESDTVPXQJP-UHFFFAOYSA-N 0 0 330.454 0.387 10 0 ECAERN CCOc1ccc(C(=O)NCC(=O)N[C@H]2CCc3ncnn3C2)cc1 ZINC000112725443 220387605 /nfs/dbraw/zinc/38/76/05/220387605.db2.gz MWKRCJNGCPUNOO-ZDUSSCGKSA-N 0 0 343.387 0.538 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)CS(=O)(=O)CC(C)C)CC2 ZINC000114869724 220770886 /nfs/dbraw/zinc/77/08/86/220770886.db2.gz MHAOZVFWRULDFY-LLVKDONJSA-N 0 0 328.438 0.342 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1cccc3c1OCC(=O)N3)CC2 ZINC000114870826 220771653 /nfs/dbraw/zinc/77/16/53/220771653.db2.gz LQJVGSGFAWVXSB-JTQLQIEISA-N 0 0 341.371 0.916 10 0 ECAERN CCOCCN1CCN(C(=O)c2nc3nc(C)cc(C)n3n2)C[C@@H]1C ZINC000117279124 221042298 /nfs/dbraw/zinc/04/22/98/221042298.db2.gz GPTOLXYWCGUQDR-AWEZNQCLSA-N 0 0 346.435 0.924 10 0 ECAERN COC[C@@H](C)S(=O)(=O)N1CCN(Cc2c(C)nn(C)c2C)CC1 ZINC000117924323 221100639 /nfs/dbraw/zinc/10/06/39/221100639.db2.gz DOPLXUHKCCXGSV-GFCCVEGCSA-N 0 0 344.481 0.519 10 0 ECAERN Cc1cnn(CCNC(=O)C(=O)Nc2ccc3c(c2)oc(=O)n3C)c1 ZINC000118133367 221128185 /nfs/dbraw/zinc/12/81/85/221128185.db2.gz CQGWTJKIYYHGPM-UHFFFAOYSA-N 0 0 343.343 0.391 10 0 ECAERN Cc1cnn(CCNC(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)c1 ZINC000118080068 221113088 /nfs/dbraw/zinc/11/30/88/221113088.db2.gz BWCFWTQYKYZZJT-OAHLLOKOSA-N 0 0 349.435 0.472 10 0 ECAERN CCN1CCN(CC(=O)N2CCCC[C@H]2c2cn[nH]c2)C(=O)C1=O ZINC000113885728 285312141 /nfs/dbraw/zinc/31/21/41/285312141.db2.gz DUZJJOBAJQCPOA-ZDUSSCGKSA-N 0 0 333.392 0.154 10 0 ECAERN CCOc1cc(C)nc(N2CCN(S(=O)(=O)NC(C)C)CC2)n1 ZINC000272242828 257942104 /nfs/dbraw/zinc/94/21/04/257942104.db2.gz WWNQOCZCYMZLMW-UHFFFAOYSA-N 0 0 343.453 0.549 10 0 ECAERN CN(C)c1ncccc1O[C@H]1CCN(C(=O)Cn2ccccc2=O)C1 ZINC000328631484 258028359 /nfs/dbraw/zinc/02/83/59/258028359.db2.gz RAHXLNPHPAAOAV-AWEZNQCLSA-N 0 0 342.399 0.989 10 0 ECAERN O=C(Nc1ccc(-n2cncn2)c(F)c1)C(=O)N1CCC[C@@H]1CO ZINC000121169712 296647258 /nfs/dbraw/zinc/64/72/58/296647258.db2.gz CLKLZOWPAWRTFN-LLVKDONJSA-N 0 0 333.323 0.328 10 0 ECAERN C[C@H](Oc1ccc(F)c(F)c1)C(=O)NC[C@H](O)CN1CCOCC1 ZINC000128141339 296659027 /nfs/dbraw/zinc/65/90/27/296659027.db2.gz PXPGMSRGZJZSQM-RYUDHWBXSA-N 0 0 344.358 0.541 10 0 ECAERN C[C@H](NC(=O)c1ccco1)C(=O)N[C@@H](C(N)=O)c1ccc(F)cc1 ZINC000131662189 164696451 /nfs/dbraw/zinc/69/64/51/164696451.db2.gz BSMQZXVGPPBCRZ-TVQRCGJNSA-N 0 0 333.319 0.880 10 0 ECAERN CC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2cnn(CC(F)F)c2)C1 ZINC000153932310 164758195 /nfs/dbraw/zinc/75/81/95/164758195.db2.gz ZUFHIZBKKSFAOP-SNVBAGLBSA-N 0 0 343.334 0.214 10 0 ECAERN CCn1cc(C2CCN(S(=O)(=O)CCS(C)(=O)=O)CC2)cn1 ZINC000173182439 164852624 /nfs/dbraw/zinc/85/26/24/164852624.db2.gz LHUCXSAYJBITCP-UHFFFAOYSA-N 0 0 349.478 0.457 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)NC[C@@](C)(O)c1ccco1)CC2 ZINC000174965554 164875563 /nfs/dbraw/zinc/87/55/63/164875563.db2.gz CFSCOMRFGFKEEE-MEDUHNTESA-N 0 0 333.392 0.955 10 0 ECAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCN(c2cnn(C)c2)CC1 ZINC000175883511 164886071 /nfs/dbraw/zinc/88/60/71/164886071.db2.gz ADMXGVVBLHGAMG-AWEZNQCLSA-N 0 0 344.423 0.687 10 0 ECAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCCN1c2ccccc2C[C@H]1C ZINC000188792916 165002003 /nfs/dbraw/zinc/00/20/03/165002003.db2.gz JTRIYKNLWPMYIE-SRCQZFHVSA-N 0 0 331.416 0.536 10 0 ECAERN Cc1cc(=O)c(C(=O)N2CCCNC(=O)[C@@H]2C)nn1-c1ccccc1 ZINC000189239385 165006636 /nfs/dbraw/zinc/00/66/36/165006636.db2.gz HZUKBSHDAWTPJN-ZDUSSCGKSA-N 0 0 340.383 0.892 10 0 ECAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N[C@@H]1CCCN(c2ccccc2F)C1 ZINC000189915644 165017122 /nfs/dbraw/zinc/01/71/22/165017122.db2.gz WXOFOUAPOMOUSI-CKEIUWERSA-N 0 0 349.406 0.892 10 0 ECAERN Cc1nc(CC2CC2)sc1C(=O)NC[C@@H](O)CN1CCOCC1 ZINC000190101485 165018355 /nfs/dbraw/zinc/01/83/55/165018355.db2.gz JLEHQDSKRUVKLL-CYBMUJFWSA-N 0 0 339.461 0.827 10 0 ECAERN CC(=O)NC1CN(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2=O)C1 ZINC000190293240 165019362 /nfs/dbraw/zinc/01/93/62/165019362.db2.gz YOJBJPSJLCTKLB-MRXNPFEDSA-N 0 0 344.415 0.708 10 0 ECAERN Cc1nc2ccc(NC(=O)C(=O)N3CCCNC(=O)[C@@H]3C)cc2o1 ZINC000190668607 165024708 /nfs/dbraw/zinc/02/47/08/165024708.db2.gz YPHVYFDAOFHMFX-VIFPVBQESA-N 0 0 330.344 0.812 10 0 ECAERN CNC(=O)c1cccc(CCNC(=O)N2CCCNC(=O)[C@H]2C)c1 ZINC000191422331 165032628 /nfs/dbraw/zinc/03/26/28/165032628.db2.gz GUFXMYVJOWGWIB-GFCCVEGCSA-N 0 0 332.404 0.509 10 0 ECAERN C[C@@H]1C(=O)NCCCN1C(=O)CCCc1nc2ccccc2c(=O)[nH]1 ZINC000191764440 165036953 /nfs/dbraw/zinc/03/69/53/165036953.db2.gz MEWLARGXVPGHEV-GFCCVEGCSA-N 0 0 342.399 0.983 10 0 ECAERN C[C@@H](C1CC1)n1nccc1NC(=O)C(=O)N1CCCNC(=O)[C@@H]1C ZINC000192101429 165041448 /nfs/dbraw/zinc/04/14/48/165041448.db2.gz COFIOANDKPMWMK-QWRGUYRKSA-N 0 0 333.392 0.530 10 0 ECAERN Cc1nc2ccccc2cc1C(=O)NC[C@H](O)CN1CCOCC1 ZINC000192708331 165047029 /nfs/dbraw/zinc/04/70/29/165047029.db2.gz ZMYIBIXJOYJFJL-HNNXBMFYSA-N 0 0 329.400 0.966 10 0 ECAERN CN1CCO[C@@H](CNC(=O)Cn2cc(Br)ccc2=O)C1 ZINC000194613317 165069600 /nfs/dbraw/zinc/06/96/00/165069600.db2.gz LLNAVMGDAVUSLR-NSHDSACASA-N 0 0 344.209 0.058 10 0 ECAERN CC(C)n1nnnc1CS(=O)(=O)CC(=O)N1[C@H](C)CCC[C@@H]1C ZINC000195427625 165081895 /nfs/dbraw/zinc/08/18/95/165081895.db2.gz RXMPIIQTNHMFNR-TXEJJXNPSA-N 0 0 343.453 0.958 10 0 ECAERN C[C@@H](C(=O)N(C)CC(=O)NC1CC1)N1CCC(c2cc[nH]n2)CC1 ZINC000195507709 165084451 /nfs/dbraw/zinc/08/44/51/165084451.db2.gz XZQBXEPJRPMMBH-LBPRGKRZSA-N 0 0 333.436 0.715 10 0 ECAERN O=C(CN1CCCC[C@@H]1c1nnc2n1CCCC2)N1CCNC1=O ZINC000195510645 165084776 /nfs/dbraw/zinc/08/47/76/165084776.db2.gz BMOORMTVCMCODM-GFCCVEGCSA-N 0 0 332.408 0.693 10 0 ECAERN COC[C@H](O)CCNC(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(F)cc1 ZINC000245733446 165113894 /nfs/dbraw/zinc/11/38/94/165113894.db2.gz JXFGUSUUJVUYJE-YCPHGPKFSA-N 0 0 338.379 0.859 10 0 ECAERN CCN(C(=O)CN1CCOC[C@H]1C(N)=O)[C@@H](C)c1ccc(F)cc1 ZINC000245754330 165115812 /nfs/dbraw/zinc/11/58/12/165115812.db2.gz HLCXJNDZQBNVHX-WFASDCNBSA-N 0 0 337.395 0.921 10 0 ECAERN CNc1cc(N2CCC[C@@H]2CNC(=O)N[C@@H](C)[C@@H](C)CO)ncn1 ZINC000246320231 165131337 /nfs/dbraw/zinc/13/13/37/165131337.db2.gz NZLCDDWYBNOJGT-RWMBFGLXSA-N 0 0 336.440 0.803 10 0 ECAERN CCCCN(C[C@H](O)CN1CCCC1=O)[C@H]1CCS(=O)(=O)C1 ZINC000246563103 165138429 /nfs/dbraw/zinc/13/84/29/165138429.db2.gz KXUDBBLTWRDTOO-KBPBESRZSA-N 0 0 332.466 0.259 10 0 ECAERN COC(=O)[C@H](CC(C)C)NC(=O)CN1CC[C@@H](c2cnn(C)c2)C1 ZINC000246881387 165145413 /nfs/dbraw/zinc/14/54/13/165145413.db2.gz GBNHIQVRXRYCCP-HIFRSBDPSA-N 0 0 336.436 0.913 10 0 ECAERN C[C@H](C(=O)N(C)C)S(=O)(=O)N1C[C@@H](CO)[C@@H](c2ccsc2)C1 ZINC000248824405 165186184 /nfs/dbraw/zinc/18/61/84/165186184.db2.gz FSEMTCZTIWDZGD-KGYLQXTDSA-N 0 0 346.474 0.562 10 0 ECAERN CC(C)(C)c1ccc(OC[C@@H](O)CN2CCOC[C@H]2C(N)=O)cc1 ZINC000252802548 165207748 /nfs/dbraw/zinc/20/77/48/165207748.db2.gz PHOUECNYOVPIQB-HOCLYGCPSA-N 0 0 336.432 0.910 10 0 ECAERN CC(C)(C)C(=O)NCC(=O)NC1CC([N@@H+](CC(=O)[O-])CC2CC2)C1 ZINC000262681014 165374144 /nfs/dbraw/zinc/37/41/44/165374144.db2.gz AOYFVOUYXJZXFF-UHFFFAOYSA-N 0 0 339.436 0.593 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)C2(S(C)(=O)=O)CCCC2)C1 ZINC000262727640 165377772 /nfs/dbraw/zinc/37/77/72/165377772.db2.gz TZJPTNRGLMATCA-UHFFFAOYSA-N 0 0 346.449 0.398 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)NCCOCC(F)(F)F)C1 ZINC000262878031 165396793 /nfs/dbraw/zinc/39/67/93/165396793.db2.gz ASLWESFOCZOVTM-UHFFFAOYSA-N 0 0 341.330 0.802 10 0 ECAERN C[C@@H](C(=O)Nc1nccs1)N1CCO[C@H](C[N@H+](C)CC(=O)[O-])C1 ZINC000262895966 165398767 /nfs/dbraw/zinc/39/87/67/165398767.db2.gz PBUGFJDGWPTQOK-WDEREUQCSA-N 0 0 342.421 0.187 10 0 ECAERN O=C(CSc1nnc2ccccn21)N1CC(NC(=O)C2CC2)C1 ZINC000189361667 437593215 /nfs/dbraw/zinc/59/32/15/437593215.db2.gz MNSVGSYAXLRAFA-UHFFFAOYSA-N 0 0 331.401 0.558 10 0 ECAERN CCS(=O)(=O)N1CC(CNc2cncc(-n3ccnc3C)n2)C1 ZINC000302554089 296898452 /nfs/dbraw/zinc/89/84/52/296898452.db2.gz KUPUWUVSGFWVQN-UHFFFAOYSA-N 0 0 336.421 0.664 10 0 ECAERN C[C@@H]1CN(C(=O)c2cncc(Br)c2)C[C@H](C(N)=O)O1 ZINC000157392322 224820041 /nfs/dbraw/zinc/82/00/41/224820041.db2.gz DRTYLFFETOMKCW-GMSGAONNSA-N 0 0 328.166 0.559 10 0 ECAERN CS(=O)(=O)c1cc(C(=O)N[C@@H]2CCc3ncnn3C2)cs1 ZINC000162723751 225859580 /nfs/dbraw/zinc/85/95/80/225859580.db2.gz QVNDGHCRQDNVLD-SECBINFHSA-N 0 0 326.403 0.488 10 0 ECAERN C[C@@H](O)CN1CCN(S(=O)(=O)c2ncn(C)c2Cl)C[C@@H]1C ZINC000122420420 222083375 /nfs/dbraw/zinc/08/33/75/222083375.db2.gz KPZZQDUPRNGJDT-VHSXEESVSA-N 0 0 336.845 0.149 10 0 ECAERN CCn1cc(NC(=O)C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)ccc1=O ZINC000123311024 222254383 /nfs/dbraw/zinc/25/43/83/222254383.db2.gz ZYIOJODCKYYDTO-UGSOOPFHSA-N 0 0 347.415 0.960 10 0 ECAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)c1cccc(OCC(N)=O)c1 ZINC000088196538 263144579 /nfs/dbraw/zinc/14/45/79/263144579.db2.gz UWOJRNNSFWGFOP-CYBMUJFWSA-N 0 0 343.387 0.970 10 0 ECAERN CC[C@H]1CN(C(=O)C(=O)Nc2cnn(C)c2C)CCN1CCOC ZINC000176632028 263153448 /nfs/dbraw/zinc/15/34/48/263153448.db2.gz MRRHJDVHGBVLKN-ZDUSSCGKSA-N 0 0 337.424 0.236 10 0 ECAERN Cn1cc([C@H]2CN(C(=O)COc3ccccc3)C[C@@H]2C(N)=O)cn1 ZINC000284604561 264233255 /nfs/dbraw/zinc/23/32/55/264233255.db2.gz NMTKUPIIVRSFLJ-CABCVRRESA-N 0 0 328.372 0.526 10 0 ECAERN O=C(Cn1ccc(C(F)(F)F)n1)N1CC[C@](O)(c2cn[nH]n2)C1 ZINC000284875335 264249407 /nfs/dbraw/zinc/24/94/07/264249407.db2.gz RYNXNPBGBIHXEO-LLVKDONJSA-N 0 0 330.270 0.140 10 0 ECAERN NC(=O)[C@]1(O)CCCN(C(=O)c2cccnc2Br)C1 ZINC000285525676 264319879 /nfs/dbraw/zinc/31/98/79/264319879.db2.gz NLBQHTGZGAFYNC-LBPRGKRZSA-N 0 0 328.166 0.297 10 0 ECAERN CC1(C)C[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)c2ccccc2O1 ZINC000158984309 276146449 /nfs/dbraw/zinc/14/64/49/276146449.db2.gz FDIWWZWCRSEIJV-LBPRGKRZSA-N 0 0 329.356 0.955 10 0 ECAERN O=C(CNC(=O)c1cccc(Cl)c1)N1CC(NC(=O)C2CC2)C1 ZINC000189401426 437595308 /nfs/dbraw/zinc/59/53/08/437595308.db2.gz PTSYGXWBFCPGGH-UHFFFAOYSA-N 0 0 335.791 0.807 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)C(=O)Nc2ccc(F)cc2C)CC1 ZINC000189452523 437598551 /nfs/dbraw/zinc/59/85/51/437598551.db2.gz XNYMNIOXGIMXSN-CQSZACIVSA-N 0 0 337.395 0.988 10 0 ECAERN CC(=O)N1CCC[C@@H](S(=O)(=O)Oc2ccccc2C(N)=O)C1 ZINC000069775356 278005476 /nfs/dbraw/zinc/00/54/76/278005476.db2.gz YKIRBVUWMDAKLZ-LLVKDONJSA-N 0 0 326.374 0.505 10 0 ECAERN CC(=O)NC1CN(C(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccc(F)cc2)C1 ZINC000190524291 278091375 /nfs/dbraw/zinc/09/13/75/278091375.db2.gz GDENWQSBRHCKRA-HOCLYGCPSA-N 0 0 333.363 0.692 10 0 ECAERN Cc1nc(NC(=O)C(=O)N2CC[C@H](N3CCOCC3)C2)sc1C ZINC000193041300 279095657 /nfs/dbraw/zinc/09/56/57/279095657.db2.gz DSKDQQYMJPULPO-LBPRGKRZSA-N 0 0 338.433 0.632 10 0 ECAERN CC1=C(C(=O)N2CC[C@@H](N3CCOCC3)C2)[C@@H](C)n2ncnc2N1C ZINC000193225635 281639979 /nfs/dbraw/zinc/63/99/79/281639979.db2.gz GQANOFWECIFZBE-ZIAGYGMSSA-N 0 0 346.435 0.496 10 0 ECAERN CN1C(=O)CO[C@H](C(=O)NCC2(CO)CCC2)[C@@H]1c1ccccc1 ZINC000223251854 289815990 /nfs/dbraw/zinc/81/59/90/289815990.db2.gz PQILCJCZYGLDMT-HOTGVXAUSA-N 0 0 332.400 0.864 10 0 ECAERN CN1C(=O)C[C@@H](C(=O)N2CCS(=O)CC2)[C@@H]1c1ccc(F)cc1 ZINC000129814736 289818928 /nfs/dbraw/zinc/81/89/28/289818928.db2.gz LFKPVFVVATWRDN-HIFRSBDPSA-N 0 0 338.404 0.936 10 0 ECAERN NC(=O)[C@@H]1COCCN1C(=O)c1ccc(Br)cc1F ZINC000091783308 295120197 /nfs/dbraw/zinc/12/01/97/295120197.db2.gz YYVDDOOAIKCHPU-JTQLQIEISA-N 0 0 331.141 0.915 10 0 ECAERN O=C(N1CCOCC1)N1CCC2(C[C@H](c3cccnc3)C(=O)N2)CC1 ZINC000096261160 295574491 /nfs/dbraw/zinc/57/44/91/295574491.db2.gz XXEXIWYMOBUHMT-OAHLLOKOSA-N 0 0 344.415 0.972 10 0 ECAERN Cc1cc(C(=O)Nc2cnn(CC(=O)N3CCN(C)CC3)c2)ns1 ZINC000333016268 297100509 /nfs/dbraw/zinc/10/05/09/297100509.db2.gz CFOBAGHCYDMAAV-UHFFFAOYSA-N 0 0 348.432 0.674 10 0 ECAERN CO[C@@H]1COC[C@@H]1N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000333620526 297145086 /nfs/dbraw/zinc/14/50/86/297145086.db2.gz YIDGAZGEVKCWEK-LSDHHAIUSA-N 0 0 326.418 0.407 10 0 ECAERN CO[C@@H]1C[C@@H](c2nncn2C)N(CC(=O)NCc2ccccc2)C1 ZINC000344503983 298031356 /nfs/dbraw/zinc/03/13/56/298031356.db2.gz FYHLGEMPZDYOOP-CABCVRRESA-N 0 0 329.404 0.893 10 0 ECAERN CO[C@@H]1C[C@@H](CO)N(C(=O)[C@H]2CCCN(C(=O)N3CCCC3)C2)C1 ZINC000345481525 298160924 /nfs/dbraw/zinc/16/09/24/298160924.db2.gz YVUFRZDEVGFTBJ-SOUVJXGZSA-N 0 0 339.436 0.522 10 0 ECAERN CC[C@@H]1CN(C(=O)[C@@H]2CCCN(C(C)=O)C2)C[C@@H]1N1CCOCC1 ZINC000364090646 300325492 /nfs/dbraw/zinc/32/54/92/300325492.db2.gz DMPWQHVSKSJYNN-ZACQAIPSSA-N 0 0 337.464 0.814 10 0 ECAERN CCN1C(=O)CC[C@H](C(=O)N2C[C@H](O)C(C)(C)C2)[C@H]1c1cnn(C)c1 ZINC000365754826 300480509 /nfs/dbraw/zinc/48/05/09/300480509.db2.gz VDBQZMVMVKEPSN-OFQRWUPVSA-N 0 0 348.447 0.949 10 0 ECAERN Cc1cc(C)n(-c2cncc(N3CC[C@]4(C3)NC(=O)N(C)C4=O)n2)n1 ZINC000368444984 300665367 /nfs/dbraw/zinc/66/53/67/300665367.db2.gz GCXGDYYSCQLHQH-MRXNPFEDSA-N 0 0 341.375 0.410 10 0 ECAERN C[S@@](=O)c1ccc(NC(=O)C(=O)N2CCC[C@H]2CO)cc1F ZINC000121004586 300881724 /nfs/dbraw/zinc/88/17/24/300881724.db2.gz VQPBBHOUZLZMNK-MGUXCZDKSA-N 0 0 328.365 0.485 10 0 ECAERN CN1C[C@H](CNC(=O)CCCN2C(=O)c3ccccc3C2=O)CC1=O ZINC000074863115 436141047 /nfs/dbraw/zinc/14/10/47/436141047.db2.gz FMRRIVJDTOYGGI-LBPRGKRZSA-N 0 0 343.383 0.657 10 0 ECAERN Cc1nc(CN(C)[C@H]2CCN(C(=O)C(F)(F)C3(O)CCC3)C2)no1 ZINC000372334123 300991085 /nfs/dbraw/zinc/99/10/85/300991085.db2.gz QLSSQWWHCTZNTN-NSHDSACASA-N 0 0 344.362 0.961 10 0 ECAERN CCCCN1CCOC[C@@H]1C(=O)N1CCS(=O)(=O)C[C@H](C)C1 ZINC000373896343 301086572 /nfs/dbraw/zinc/08/65/72/301086572.db2.gz ROBZSERTUZDZNN-ZIAGYGMSSA-N 0 0 332.466 0.380 10 0 ECAERN CO[C@@H]1CCC[C@@H]1[C@H]1COCCN1S(=O)(=O)[C@H](C)C(=O)N(C)C ZINC000375215747 301159100 /nfs/dbraw/zinc/15/91/00/301159100.db2.gz OZQXWDAHPMUFCP-AAVRWANBSA-N 0 0 348.465 0.309 10 0 ECAERN CCN(CC)C(=O)CCCNC(=O)NC[C@H](C)N1CCOCC1 ZINC000079252159 436293661 /nfs/dbraw/zinc/29/36/61/436293661.db2.gz UIRXLIFJGXOPDG-AWEZNQCLSA-N 0 0 328.457 0.655 10 0 ECAERN COC(=O)[C@H](CCC(N)=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000033851935 436253512 /nfs/dbraw/zinc/25/35/12/436253512.db2.gz IVNMQXRMRGXFPD-ZDUSSCGKSA-N 0 0 346.387 0.703 10 0 ECAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)CSc1nnnn1C1CC1 ZINC000081583952 436353062 /nfs/dbraw/zinc/35/30/62/436353062.db2.gz MWXWAMILVOCLQU-JTQLQIEISA-N 0 0 334.409 0.651 10 0 ECAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)c1ccc2c(c1)C(=O)NC2=O ZINC000088281029 436401276 /nfs/dbraw/zinc/40/12/76/436401276.db2.gz HRFHNPNKJKPELC-GFCCVEGCSA-N 0 0 339.355 0.989 10 0 ECAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)N(CCOC)CCOC ZINC000088756051 436404591 /nfs/dbraw/zinc/40/45/91/436404591.db2.gz LVYPUVJTJVIHAI-GFCCVEGCSA-N 0 0 325.413 0.980 10 0 ECAERN COC(=O)[C@@H](NC(=O)[C@@H]1CNC(=O)C1)c1ccc(Cl)c(F)c1 ZINC000089372722 436409145 /nfs/dbraw/zinc/40/91/45/436409145.db2.gz KKVJTGWRJBZCFY-UFBFGSQYSA-N 0 0 328.727 0.946 10 0 ECAERN CCc1nnc(CS(=O)(=O)CC(=O)N2C[C@H](C)C[C@@H](C)C2)n1C ZINC000091049456 436439974 /nfs/dbraw/zinc/43/99/74/436439974.db2.gz PVJHFQHBANAUSU-VXGBXAGGSA-N 0 0 342.465 0.797 10 0 ECAERN Cc1nc2cc(NC(=O)C(=O)NC[C@H](C)N3CCOCC3)ccc2o1 ZINC000091193840 436443218 /nfs/dbraw/zinc/44/32/18/436443218.db2.gz CVSSIIKHCOBEKH-NSHDSACASA-N 0 0 346.387 0.912 10 0 ECAERN Cc1nccn1-c1cncc(N[C@@H]2CCCN(S(C)(=O)=O)C2)n1 ZINC000092891926 436477645 /nfs/dbraw/zinc/47/76/45/436477645.db2.gz DIXNHUDBJWNOSD-GFCCVEGCSA-N 0 0 336.421 0.807 10 0 ECAERN O=C1N[C@@]2(C(=O)Nc3ccc(Br)cc32)N2CCOC[C@@H]12 ZINC000093884418 436490457 /nfs/dbraw/zinc/49/04/57/436490457.db2.gz OIBQUHGMKFHXII-GXFFZTMASA-N 0 0 338.161 0.385 10 0 ECAERN C[C@@H]1CN(C(=O)CN2CCCN(c3cccnn3)CC2)C[C@H](C)O1 ZINC000105799036 436578829 /nfs/dbraw/zinc/57/88/29/436578829.db2.gz VYSNEGWRGKKWRC-GASCZTMLSA-N 0 0 333.436 0.625 10 0 ECAERN COCCCNC(=O)N1CC[C@H](n2c(=O)n(C)c3cncnc32)C1 ZINC000097940734 436543540 /nfs/dbraw/zinc/54/35/40/436543540.db2.gz SCFYZYVBGYUNDK-NSHDSACASA-N 0 0 334.380 0.123 10 0 ECAERN COC(=O)CCNC(=O)CN1CCN(Cc2cnc(C)s2)CC1 ZINC000105813879 436579609 /nfs/dbraw/zinc/57/96/09/436579609.db2.gz OWTMYDDFDBLOOZ-UHFFFAOYSA-N 0 0 340.449 0.248 10 0 ECAERN CCS(=O)(=O)NCCN1CCN(Cc2cnc(C)s2)CC1 ZINC000109328764 436624905 /nfs/dbraw/zinc/62/49/05/436624905.db2.gz PROZLXFOCVRMAU-UHFFFAOYSA-N 0 0 332.495 0.508 10 0 ECAERN CCOC(=O)[C@@H](C)N1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000105894426 436585260 /nfs/dbraw/zinc/58/52/60/436585260.db2.gz SROLGIHTGXHUPR-CVEARBPZSA-N 0 0 336.432 0.996 10 0 ECAERN Cc1n[nH]c(C)c1NC(=O)CN1CCCN(c2cccnn2)CC1 ZINC000105909184 436587692 /nfs/dbraw/zinc/58/76/92/436587692.db2.gz YDAFUBWZODNTNB-UHFFFAOYSA-N 0 0 329.408 0.967 10 0 ECAERN C[C@@H](CNC(=O)N1CCO[C@@H](Cn2cccn2)C1)Cn1cccn1 ZINC000111837234 436632280 /nfs/dbraw/zinc/63/22/80/436632280.db2.gz RVKJSJHHCBXDHM-LSDHHAIUSA-N 0 0 332.408 0.826 10 0 ECAERN Cc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)N1CCOCC1 ZINC000012442136 302099284 /nfs/dbraw/zinc/09/92/84/302099284.db2.gz BSNVAQLZDDVHML-MRXNPFEDSA-N 0 0 331.416 0.544 10 0 ECAERN CC(C)(C)n1cc(CN2CCN(C(=O)[C@H]3CNC(=O)C3)CC2)cn1 ZINC000113860124 436638705 /nfs/dbraw/zinc/63/87/05/436638705.db2.gz XQPKIOWXNVICEC-CQSZACIVSA-N 0 0 333.436 0.418 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)CCS(=O)(=O)CC(C)C)CC2 ZINC000114871267 436644618 /nfs/dbraw/zinc/64/46/18/436644618.db2.gz DKJIYGIXSSKUBV-GFCCVEGCSA-N 0 0 342.465 0.732 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)c1ccccc1S(C)(=O)=O)CC2 ZINC000114865871 436644796 /nfs/dbraw/zinc/64/47/96/436644796.db2.gz JXLFYRZPMCBOQM-LLVKDONJSA-N 0 0 348.428 0.989 10 0 ECAERN COc1ccncc1NC(=O)C(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000116587562 436650762 /nfs/dbraw/zinc/65/07/62/436650762.db2.gz WRRNGMXRIHOANM-NSHDSACASA-N 0 0 329.360 0.778 10 0 ECAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)CN(C)S(C)(=O)=O)C2)n1 ZINC000116782213 436651343 /nfs/dbraw/zinc/65/13/43/436651343.db2.gz HYWDKPLCHACJDD-CYBMUJFWSA-N 0 0 343.453 0.025 10 0 ECAERN NC(=O)CN1CN(c2cccc(F)c2)c2ncccc2S1(=O)=O ZINC000065240187 436651924 /nfs/dbraw/zinc/65/19/24/436651924.db2.gz HSPYIEIIBUOCMI-UHFFFAOYSA-N 0 0 336.348 0.806 10 0 ECAERN Cn1cc([C@@H]2CCN(C(=O)CNC(=O)NCc3ccco3)C2)cn1 ZINC000116228922 436649186 /nfs/dbraw/zinc/64/91/86/436649186.db2.gz PEQUVYFDYNLRJW-GFCCVEGCSA-N 0 0 331.376 0.828 10 0 ECAERN C[C@H](C(=O)N(C)C)S(=O)(=O)N[C@@H](C)COCc1ccccc1 ZINC000193966657 436656469 /nfs/dbraw/zinc/65/64/69/436656469.db2.gz UWIHRQRLXPHQHC-QWHCGFSZSA-N 0 0 328.434 0.988 10 0 ECAERN C[C@H](NC(=O)C(=O)Nc1ccnn1Cc1ccccn1)[C@@H]1CCCO1 ZINC000151241161 436698404 /nfs/dbraw/zinc/69/84/04/436698404.db2.gz JCTCBJZBFKREHN-JSGCOSHPSA-N 0 0 343.387 0.949 10 0 ECAERN Cn1cnc(S(=O)(=O)NCC(=O)N2CCC[C@@H]2c2ccco2)c1 ZINC000151525374 436704619 /nfs/dbraw/zinc/70/46/19/436704619.db2.gz WJIOTFTYIRFDEM-LLVKDONJSA-N 0 0 338.389 0.655 10 0 ECAERN Cc1nc(-c2ccc(NC(=O)C(=O)N3CCC[C@@H]3CO)cc2)n[nH]1 ZINC000121238965 436710663 /nfs/dbraw/zinc/71/06/63/436710663.db2.gz UUZGNUKWBKIFGK-CYBMUJFWSA-N 0 0 329.360 0.702 10 0 ECAERN COc1ccc2[nH]cc(CC(=O)NC[C@@H](O)CN3CCOCC3)c2c1 ZINC000121247854 436712137 /nfs/dbraw/zinc/71/21/37/436712137.db2.gz GOFBNZXYFOHISW-CQSZACIVSA-N 0 0 347.415 0.528 10 0 ECAERN COC(=O)[C@@H]1CCCN(C(=O)C2=C(C)N(C)c3ncnn3[C@@H]2C)C1 ZINC000195197262 436682559 /nfs/dbraw/zinc/68/25/59/436682559.db2.gz NIOSPBTXPRQMQL-VXGBXAGGSA-N 0 0 333.392 0.975 10 0 ECAERN CCc1ccc(S(C)(=O)=O)cc1C(=O)NC[C@H]1CN(C)CCO1 ZINC000121750457 436723212 /nfs/dbraw/zinc/72/32/12/436723212.db2.gz BTZAUXSQKRYUCI-ZDUSSCGKSA-N 0 0 340.445 0.713 10 0 ECAERN CCCCOCCNC(=O)N1CCN(c2ccc3nncn3n2)CC1 ZINC000152567469 436735211 /nfs/dbraw/zinc/73/52/11/436735211.db2.gz XKIXEXWQTIQACE-UHFFFAOYSA-N 0 0 347.423 0.773 10 0 ECAERN O=C(Nc1ccc2nc(N3CCOCC3)oc2c1)[C@@H]1CNC(=O)C1 ZINC000124452091 436751784 /nfs/dbraw/zinc/75/17/84/436751784.db2.gz HZRBAZMEBXLYKU-JTQLQIEISA-N 0 0 330.344 0.739 10 0 ECAERN O=C(NC[C@@H](O)CN1CCOCC1)c1ccccc1OCC1CC1 ZINC000128117898 436812579 /nfs/dbraw/zinc/81/25/79/436812579.db2.gz ISSJVZWHRKQSBL-OAHLLOKOSA-N 0 0 334.416 0.898 10 0 ECAERN C[C@@H](CCOc1ccccc1)C(=O)NC[C@H](O)CN1CCOCC1 ZINC000128121027 436813158 /nfs/dbraw/zinc/81/31/58/436813158.db2.gz GTTQIRLSYSASEO-HOTGVXAUSA-N 0 0 336.432 0.901 10 0 ECAERN COc1ccc(F)c(NC(=O)C(=O)N[C@H]2CCc3ncnn3C2)c1 ZINC000156302272 436813484 /nfs/dbraw/zinc/81/34/84/436813484.db2.gz TWWFZKCTEBTVRX-VIFPVBQESA-N 0 0 333.323 0.496 10 0 ECAERN Cc1nnc([C@@H]2CN(C(=O)c3cccc(-n4ccnn4)c3)CCO2)[nH]1 ZINC000154001121 436768886 /nfs/dbraw/zinc/76/88/86/436768886.db2.gz JQDQWDGLEATFLE-AWEZNQCLSA-N 0 0 339.359 0.908 10 0 ECAERN O=C(Cc1ccccc1)N[C@H]1CS(=O)(=O)C[C@@H]1N1CCCCC1 ZINC000069438495 436772387 /nfs/dbraw/zinc/77/23/87/436772387.db2.gz RHCVILQFXHCHEA-HOTGVXAUSA-N 0 0 336.457 0.997 10 0 ECAERN CNC(=O)[C@H](NC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1cccnc1)C(C)C ZINC000246173479 436773999 /nfs/dbraw/zinc/77/39/99/436773999.db2.gz IAKKAMSFMFWYAJ-YUELXQCFSA-N 0 0 332.404 0.488 10 0 ECAERN Cc1nnc([C@H]2CN(C[C@H]3CCCN(S(C)(=O)=O)C3)CCO2)[nH]1 ZINC000246309401 436776782 /nfs/dbraw/zinc/77/67/82/436776782.db2.gz MEVWZQNEBLDNCO-CHWSQXEVSA-N 0 0 343.453 0.158 10 0 ECAERN C[C@@H]1CC[C@H](C(=O)N2CCN([C@H](C(N)=O)c3ccccc3)CC2)O1 ZINC000126016152 436780769 /nfs/dbraw/zinc/78/07/69/436780769.db2.gz QXQHCHMDDMTKCE-BMFZPTHFSA-N 0 0 331.416 0.925 10 0 ECAERN CC(C)CS(=O)(=O)CCC(=O)N1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000246593213 436782892 /nfs/dbraw/zinc/78/28/92/436782892.db2.gz AZSXJMWGZCOPLY-KGLIPLIRSA-N 0 0 334.482 0.361 10 0 ECAERN C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N(C)CCN(C)C ZINC000126219166 436783441 /nfs/dbraw/zinc/78/34/41/436783441.db2.gz CCWMBPKJBCRTSJ-LLVKDONJSA-N 0 0 338.433 0.134 10 0 ECAERN CCCCCS(=O)(=O)CC(=O)N1CCN(C[C@H](C)O)[C@@H](CC)C1 ZINC000246810448 436786397 /nfs/dbraw/zinc/78/63/97/436786397.db2.gz KOZYXEKCIQFFLB-GJZGRUSLSA-N 0 0 348.509 0.895 10 0 ECAERN CN1CCO[C@H](CNC(=O)N[C@@H]2CCN(c3ncccc3F)C2)C1 ZINC000155290012 436792804 /nfs/dbraw/zinc/79/28/04/436792804.db2.gz DMSWIWLISNUPLG-CHWSQXEVSA-N 0 0 337.399 0.429 10 0 ECAERN CNC(=O)[C@H]1CCCN1C(=O)NCc1ccnc(-n2cccn2)c1 ZINC000155716640 436801741 /nfs/dbraw/zinc/80/17/41/436801741.db2.gz WNQYGFLRGCQYIQ-CYBMUJFWSA-N 0 0 328.376 0.687 10 0 ECAERN CCNC(=O)C(C)(C)CNC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000130969144 436844785 /nfs/dbraw/zinc/84/47/85/436844785.db2.gz JCJBGGSXFPVTDE-ZDUSSCGKSA-N 0 0 326.441 0.265 10 0 ECAERN O=C(Nc1cc(-n2cnnn2)ccc1F)N[C@@H]1CCc2ncnn2C1 ZINC000131822507 436858129 /nfs/dbraw/zinc/85/81/29/436858129.db2.gz UMERVFISQQNHRR-SECBINFHSA-N 0 0 343.326 0.529 10 0 ECAERN CC(=O)N[C@@H]1CN(C(=O)CCCc2nc3ccccc3[nH]2)C[C@H]1CO ZINC000257195585 436860411 /nfs/dbraw/zinc/86/04/11/436860411.db2.gz WKLRLHKPLZWTML-XJKSGUPXSA-N 0 0 344.415 0.841 10 0 ECAERN Cc1cnn(CCNC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2cccnc2)c1 ZINC000129662273 436828988 /nfs/dbraw/zinc/82/89/88/436828988.db2.gz YAFMFPGELHFKMW-GDBMZVCRSA-N 0 0 327.388 0.922 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)CCc2nc(CSC)no2)CC1 ZINC000130166241 436832923 /nfs/dbraw/zinc/83/29/23/436832923.db2.gz GFUZEHXSULNCBQ-GFCCVEGCSA-N 0 0 342.465 0.780 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)CCc2nc(CSC)no2)CC1 ZINC000130166041 436833415 /nfs/dbraw/zinc/83/34/15/436833415.db2.gz GFUZEHXSULNCBQ-LBPRGKRZSA-N 0 0 342.465 0.780 10 0 ECAERN C[C@H](NC(=O)CSc1nnnn1C1CC1)c1nnc2n1CCCC2 ZINC000135421309 436917086 /nfs/dbraw/zinc/91/70/86/436917086.db2.gz DOBMTJDULGGHNI-VIFPVBQESA-N 0 0 348.436 0.905 10 0 ECAERN CCS(=O)(=O)NCC(=O)N1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC000135015140 436907999 /nfs/dbraw/zinc/90/79/99/436907999.db2.gz WCUMAKGXASMBQK-CYBMUJFWSA-N 0 0 343.453 0.073 10 0 ECAERN CN1CCO[C@@H](CNS(=O)(=O)c2cnn(-c3ccccc3)c2)C1 ZINC000171094236 436966751 /nfs/dbraw/zinc/96/67/51/436966751.db2.gz DHGQWLXSLKWWPS-AWEZNQCLSA-N 0 0 336.417 0.481 10 0 ECAERN O=C([O-])C[N@H+](CC1CC1)C1CC(NS(=O)(=O)c2cccnc2)C1 ZINC000263502380 436970016 /nfs/dbraw/zinc/97/00/16/436970016.db2.gz UEYHCCOQUQFKFG-UHFFFAOYSA-N 0 0 339.417 0.688 10 0 ECAERN C[C@@H](NC(=O)C(=O)Nc1ccc(-n2ccnn2)cc1)[C@@H]1CCCO1 ZINC000171227288 436974463 /nfs/dbraw/zinc/97/44/63/436974463.db2.gz WXNNAZJRWQNCIP-RISCZKNCSA-N 0 0 329.360 0.890 10 0 ECAERN CC(=O)[C@H]1CC(C(=O)NC[C@H]2CN(C)CCO2)=NN1c1ccccc1 ZINC000171286690 436975613 /nfs/dbraw/zinc/97/56/13/436975613.db2.gz CLWZHEQMSWSEQZ-DOTOQJQBSA-N 0 0 344.415 0.657 10 0 ECAERN C[C@H](CC(=O)NC[C@H](C)N1CCOCC1)NC(=O)C1CCCC1 ZINC000171373946 436978257 /nfs/dbraw/zinc/97/82/57/436978257.db2.gz BZZFPZFNYMUBAD-KGLIPLIRSA-N 0 0 325.453 0.908 10 0 ECAERN C[C@H](NC(=O)NCCCN1CCOCC1)c1nnc2n1CCCC2 ZINC000136208254 436929889 /nfs/dbraw/zinc/92/98/89/436929889.db2.gz PJTGHDOGCCNRSH-ZDUSSCGKSA-N 0 0 336.440 0.697 10 0 ECAERN O=C([C@@H]1CC1(Cl)Cl)N1CCN(c2ccc3nncn3n2)CC1 ZINC000136422213 436931817 /nfs/dbraw/zinc/93/18/17/436931817.db2.gz MSEMCWUEIJTNHJ-VIFPVBQESA-N 0 0 341.202 0.967 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)CCOC[C@H]2CCCO2)C1 ZINC000262699511 436940690 /nfs/dbraw/zinc/94/06/90/436940690.db2.gz HKNMRRRZRICMHW-JXQTWKCFSA-N 0 0 328.409 0.626 10 0 ECAERN NC(=O)Cn1cc(C(=O)N[C@H](Cc2ccccc2)C(F)(F)F)nn1 ZINC000168448680 436943549 /nfs/dbraw/zinc/94/35/49/436943549.db2.gz OOAVYIITQNLHLJ-LLVKDONJSA-N 0 0 341.293 0.667 10 0 ECAERN C[C@@H]1CCC[C@H](NC(=O)N2CCO[C@H](C[N@H+](C)CC(=O)[O-])C2)C1 ZINC000263066658 436951268 /nfs/dbraw/zinc/95/12/68/436951268.db2.gz SQOAPRRVNACNFA-HZSPNIEDSA-N 0 0 327.425 0.992 10 0 ECAERN CN([C@@H]1CCCN(c2cccnn2)C1)S(=O)(=O)C[C@@H]1CCOC1 ZINC000172459800 437015990 /nfs/dbraw/zinc/01/59/90/437015990.db2.gz CXSNUICKPGOIDU-ZIAGYGMSSA-N 0 0 340.449 0.744 10 0 ECAERN Cn1c2ccc(S(=O)(=O)NC[C@@H]3CCCC[C@@H]3O)cc2oc1=O ZINC000172541273 437018606 /nfs/dbraw/zinc/01/86/06/437018606.db2.gz OGZRAAYEKYFJEF-GWCFXTLKSA-N 0 0 340.401 0.961 10 0 ECAERN Cc1sc(=O)n(CCC(=O)N2CC[C@H](N3CCOCC3)C2)c1C ZINC000172752131 437027057 /nfs/dbraw/zinc/02/70/57/437027057.db2.gz MYBCUAPLRSSHJG-AWEZNQCLSA-N 0 0 339.461 0.850 10 0 ECAERN CN(C)C(=O)c1cccc(C(=O)N2CC[C@H](N3CCOCC3)C2)c1 ZINC000172743145 437027959 /nfs/dbraw/zinc/02/79/59/437027959.db2.gz NLWMHNDMIFFOGE-INIZCTEOSA-N 0 0 331.416 0.935 10 0 ECAERN Cc1sc(=O)n(CCC(=O)N2CC[C@@H](N3CCOCC3)C2)c1C ZINC000172752137 437028285 /nfs/dbraw/zinc/02/82/85/437028285.db2.gz MYBCUAPLRSSHJG-CQSZACIVSA-N 0 0 339.461 0.850 10 0 ECAERN Cc1cc(C(=O)N2CC[C@@H](N(C)Cc3ncccn3)C2)[nH]c(=O)n1 ZINC000275956064 437035053 /nfs/dbraw/zinc/03/50/53/437035053.db2.gz MNOKFELUOUWWJI-GFCCVEGCSA-N 0 0 328.376 0.627 10 0 ECAERN O=S(=O)(N[C@H]1CCc2ncnn2C1)c1ccc(F)c(F)c1F ZINC000172103473 436999117 /nfs/dbraw/zinc/99/91/17/436999117.db2.gz HHLKIQGUMCCUHG-ZETCQYMHSA-N 0 0 332.307 0.989 10 0 ECAERN COCCOCCNC(=O)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000172137195 437000458 /nfs/dbraw/zinc/00/04/58/437000458.db2.gz KVIBANCZVVSLQZ-UHFFFAOYSA-N 0 0 339.440 0.300 10 0 ECAERN COCCN1CCN(C(=O)CCCCN2CCOCC2)C[C@H]1C ZINC000172226092 437005023 /nfs/dbraw/zinc/00/50/23/437005023.db2.gz JOUTVWQQCJARAL-MRXNPFEDSA-N 0 0 327.469 0.668 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)Nc2cnn(CCOC)c2)CC1 ZINC000172318810 437008430 /nfs/dbraw/zinc/00/84/30/437008430.db2.gz CNSDCYSSEMXHIA-CQSZACIVSA-N 0 0 325.413 0.450 10 0 ECAERN COCCN1CCN(C(=O)NC2CCN(C(C)=O)CC2)C[C@@H]1C ZINC000172322795 437008959 /nfs/dbraw/zinc/00/89/59/437008959.db2.gz PDMKDSHILCYNCC-ZDUSSCGKSA-N 0 0 326.441 0.359 10 0 ECAERN COc1ncccc1C(=O)N[C@H]1CCCN(c2ncc[nH]c2=O)C1 ZINC000275761066 437011019 /nfs/dbraw/zinc/01/10/19/437011019.db2.gz QTRPQFFCMAAPHN-NSHDSACASA-N 0 0 329.360 0.985 10 0 ECAERN CNc1cc(N2CCC[C@@H]2CNC(=O)Cc2cnn(C)c2)ncn1 ZINC000173441507 437050166 /nfs/dbraw/zinc/05/01/66/437050166.db2.gz RINHVPWQVSYENT-CYBMUJFWSA-N 0 0 329.408 0.580 10 0 ECAERN CCN(C)S(=O)(=O)N1CCN(c2ccc(C[NH+](C)C)cn2)CC1 ZINC000173508385 437054513 /nfs/dbraw/zinc/05/45/13/437054513.db2.gz KIOBTASLYWRQCJ-UHFFFAOYSA-N 0 0 341.481 0.462 10 0 ECAERN Cc1nnc([C@H]2CN(C(=O)c3cccc(-n4cccn4)n3)CCO2)[nH]1 ZINC000173529215 437054824 /nfs/dbraw/zinc/05/48/24/437054824.db2.gz SFYPBKTUIUERDI-CYBMUJFWSA-N 0 0 339.359 0.908 10 0 ECAERN CCCCN(C)S(=O)(=O)N1CCO[C@H](c2nnc(CC)[nH]2)C1 ZINC000173740834 437061860 /nfs/dbraw/zinc/06/18/60/437061860.db2.gz SHIVPJSZPXJFJT-NSHDSACASA-N 0 0 331.442 0.717 10 0 ECAERN O=C(NCCc1cn2ccccc2n1)N1CC[C@H](N2CCOCC2)C1 ZINC000173772415 437064056 /nfs/dbraw/zinc/06/40/56/437064056.db2.gz FDDOEIBAMSXVQN-INIZCTEOSA-N 0 0 343.431 0.993 10 0 ECAERN C[C@@H]1CN(C(=O)CNC(=O)CC(C)(C)C)C[C@H]1N1CCOCC1 ZINC000173836580 437066585 /nfs/dbraw/zinc/06/65/85/437066585.db2.gz PQDMZQDFCKNZDE-ZIAGYGMSSA-N 0 0 325.453 0.718 10 0 ECAERN C[C@@H](NC(=O)c1cn(CC(N)=O)nn1)c1cccc(-n2ccnc2)c1 ZINC000173922129 437069028 /nfs/dbraw/zinc/06/90/28/437069028.db2.gz ZWCPONUOGQJLHM-LLVKDONJSA-N 0 0 339.359 0.440 10 0 ECAERN O=C(Nc1ccc(F)cc1F)C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000174008555 437073635 /nfs/dbraw/zinc/07/36/35/437073635.db2.gz UBJBNZJEQLFLGQ-GFCCVEGCSA-N 0 0 339.342 0.836 10 0 ECAERN CNS(=O)(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1scnc1C ZINC000285536314 437078640 /nfs/dbraw/zinc/07/86/40/437078640.db2.gz HGILOCOUNRTZOR-QWRGUYRKSA-N 0 0 336.458 0.760 10 0 ECAERN CNC(=O)Cn1ccc2ccc(NC(=O)C(=O)N[C@@H]3C[C@@H]3C)cc21 ZINC000174830881 437090089 /nfs/dbraw/zinc/09/00/89/437090089.db2.gz GQABYCKGZZKUEO-GXFFZTMASA-N 0 0 328.372 0.850 10 0 ECAERN COc1ccc(-n2ccc(C(=O)N3C[C@H](F)C[C@H]3C(N)=O)n2)cc1 ZINC000287105939 437162629 /nfs/dbraw/zinc/16/26/29/437162629.db2.gz XNJSJVNJWGHDRV-YGRLFVJLSA-N 0 0 332.335 0.919 10 0 ECAERN C[C@@H]1CN(C(=O)NCC(=O)N2CCCCC2)C[C@H]1N1CCOCC1 ZINC000175670784 437113561 /nfs/dbraw/zinc/11/35/61/437113561.db2.gz YASBDBBVTIJWMA-HUUCEWRRSA-N 0 0 338.452 0.361 10 0 ECAERN C[C@H]1CN(C(=O)NCCNC(=O)C(C)(C)C)C[C@@H]1N1CCOCC1 ZINC000175740042 437115599 /nfs/dbraw/zinc/11/55/99/437115599.db2.gz FODFVGQONHRSFT-KBPBESRZSA-N 0 0 340.468 0.511 10 0 ECAERN C[C@@H]1CN(C(=O)NCC[S@@](=O)C(C)(C)C)C[C@H]1N1CCOCC1 ZINC000175791441 437118275 /nfs/dbraw/zinc/11/82/75/437118275.db2.gz QSPJWTJYUWVEHJ-GJDIJTJZSA-N 0 0 345.509 0.896 10 0 ECAERN O=C(Nc1ccc(-n2nccn2)cc1)C(=O)N[C@H]1CCCC[C@H]1O ZINC000177184122 437174673 /nfs/dbraw/zinc/17/46/73/437174673.db2.gz FBZXQQHLVPNTNN-UONOGXRCSA-N 0 0 329.360 0.626 10 0 ECAERN CCOC(=O)c1ccc(S(=O)(=O)NCCn2cc(C)cn2)o1 ZINC000177509230 437187590 /nfs/dbraw/zinc/18/75/90/437187590.db2.gz MUTNINXRDVJKKZ-UHFFFAOYSA-N 0 0 327.362 0.940 10 0 ECAERN CCOCCN1CCN(C(=O)C(=O)Nc2cccnc2)C[C@H]1CC ZINC000177619434 437191591 /nfs/dbraw/zinc/19/15/91/437191591.db2.gz NILOMNDDIZSTNT-OAHLLOKOSA-N 0 0 334.420 0.979 10 0 ECAERN COc1ccc(C)cc1NC(=O)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000177629221 437192431 /nfs/dbraw/zinc/19/24/31/437192431.db2.gz BVXURKSCPGNFHJ-NSHDSACASA-N 0 0 329.360 0.665 10 0 ECAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)Cn1c(=O)cnc2ccccc21 ZINC000177678648 437193400 /nfs/dbraw/zinc/19/34/00/437193400.db2.gz WZEZFSRWZHBJFO-CYBMUJFWSA-N 0 0 338.371 0.948 10 0 ECAERN CNC(=O)[C@H](NC(=O)NCc1ccc([S@](C)=O)cc1)C(C)C ZINC000178451831 437216177 /nfs/dbraw/zinc/21/61/77/437216177.db2.gz GNTINUDGQAOSIS-DMZKTXOQSA-N 0 0 325.434 0.994 10 0 ECAERN CCN1CCN(C(=O)CS(=O)(=O)CC)C[C@H]1c1nccn1C ZINC000328626913 437240999 /nfs/dbraw/zinc/24/09/99/437240999.db2.gz MEJKBQCVLAOEHW-LBPRGKRZSA-N 0 0 328.438 0.060 10 0 ECAERN CCc1noc([C@H]2C[C@H](O)CN2S(=O)(=O)CC[C@@H]2CCCO2)n1 ZINC000328627734 437241210 /nfs/dbraw/zinc/24/12/10/437241210.db2.gz MZZQZOKTXZEONR-SDDRHHMPSA-N 0 0 345.421 0.639 10 0 ECAERN CCCn1nnnc1CN[C@@H]1CC(=O)N(C)[C@H]1c1c(C)nn(C)c1C ZINC000328628386 437241521 /nfs/dbraw/zinc/24/15/21/437241521.db2.gz NSMCYCSVQHAJBH-MLGOLLRUSA-N 0 0 346.439 0.495 10 0 ECAERN CCN1CCN(S(=O)(=O)CC[C@H]2CCCO2)C[C@H]1c1ncc[nH]1 ZINC000328630453 437241877 /nfs/dbraw/zinc/24/18/77/437241877.db2.gz PWDIIBDJNGUVNZ-KGLIPLIRSA-N 0 0 342.465 0.987 10 0 ECAERN Cc1nnc(CN(C)[C@@H]2CN(C(=O)[C@@H](C)OCC3CC3)C[C@H]2O)o1 ZINC000328629428 437242040 /nfs/dbraw/zinc/24/20/40/437242040.db2.gz IFDLJDJYYDCVBR-LERXQTSPSA-N 0 0 338.408 0.197 10 0 ECAERN Nc1ccnc(CN2CCC[C@H]2c2nc(C(=O)NC3CC3)no2)n1 ZINC000328637707 437244862 /nfs/dbraw/zinc/24/48/62/437244862.db2.gz ORXMWFRMCNZJKN-JTQLQIEISA-N 0 0 329.364 0.671 10 0 ECAERN CCc1nnc2n1CCN(C1CN(C(=O)c3csnc3C)C1)C2 ZINC000328647131 437246600 /nfs/dbraw/zinc/24/66/00/437246600.db2.gz TTXUQQKCWFZRQN-UHFFFAOYSA-N 0 0 332.433 0.946 10 0 ECAERN CCOc1cc(N2CC(N3CCn4c(CC)nnc4C3)C2)ncn1 ZINC000328655426 437249302 /nfs/dbraw/zinc/24/93/02/437249302.db2.gz YKGIVVAIMFPXNY-UHFFFAOYSA-N 0 0 329.408 0.734 10 0 ECAERN Cc1nc2nc(N)nn2c(C)c1CCC(=O)N[C@H]1CCCC[C@H]1CO ZINC000179212998 437254829 /nfs/dbraw/zinc/25/48/29/437254829.db2.gz SWBWMQKPPJLJIL-JSGCOSHPSA-N 0 0 346.435 0.923 10 0 ECAERN C[NH+](C)[C@H]1CCN(C(=O)C(=O)Nc2ccn(Cc3ccncc3)n2)C1 ZINC000179346330 437259258 /nfs/dbraw/zinc/25/92/58/437259258.db2.gz LOYAVEMSDGZPGW-AWEZNQCLSA-N 0 0 342.403 0.427 10 0 ECAERN COC(=O)[C@@H]1C[C@H]1C(=O)Nc1cn(C)cc(Br)c1=O ZINC000180285695 437285020 /nfs/dbraw/zinc/28/50/20/437285020.db2.gz NXRZVSDYKCHEQL-RNFRBKRXSA-N 0 0 329.150 0.895 10 0 ECAERN NC(=O)[C@H]1COCCN1C(=O)CCC(=O)c1ccc2c(c1)CCC2 ZINC000180272280 437285388 /nfs/dbraw/zinc/28/53/88/437285388.db2.gz IWPBXCCDFWNZFX-OAHLLOKOSA-N 0 0 330.384 0.851 10 0 ECAERN CCc1cc(NC(=O)C(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)n(C)n1 ZINC000180256688 437285774 /nfs/dbraw/zinc/28/57/74/437285774.db2.gz AWSBXCUVDBNOJD-GXTWGEPZSA-N 0 0 349.435 0.100 10 0 ECAERN Cc1c(NC(=O)C(=O)NC[C@@H]2CN(C)CCO2)cccc1N(C)C ZINC000180588002 437293401 /nfs/dbraw/zinc/29/34/01/437293401.db2.gz BEEZWOOOMDGFJO-CYBMUJFWSA-N 0 0 334.420 0.446 10 0 ECAERN CCS(=O)(=O)C[C@H](C)N[C@@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000182348619 437346721 /nfs/dbraw/zinc/34/67/21/437346721.db2.gz RVIJCMLRLBTPAF-QWHCGFSZSA-N 0 0 342.465 0.637 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)NCC2CCN(C(C)=O)CC2)CC1 ZINC000181718680 437327971 /nfs/dbraw/zinc/32/79/71/437327971.db2.gz WQUOQIKWVZFOHK-INIZCTEOSA-N 0 0 340.468 0.343 10 0 ECAERN CCc1ccccc1Nc1nc(N)nc(CN2C[C@@H](O)C[C@@H]2CO)n1 ZINC000184715687 437409880 /nfs/dbraw/zinc/40/98/80/437409880.db2.gz VJXOSHUQAZPCNW-OLZOCXBDSA-N 0 0 344.419 0.687 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)NCCNC(=O)c2ccco2)CC1 ZINC000184794957 437414437 /nfs/dbraw/zinc/41/44/37/437414437.db2.gz OVXYIPYBFLIOHL-ZDUSSCGKSA-N 0 0 338.408 0.108 10 0 ECAERN COCC(=O)NC1CN(C[C@H](O)c2ccccc2Br)C1 ZINC000185093425 437425220 /nfs/dbraw/zinc/42/52/20/437425220.db2.gz XLKXOCZQKOBFRE-ZDUSSCGKSA-N 0 0 343.221 0.929 10 0 ECAERN CCn1cc(CN2CCCN(C(=O)Cc3ccn(C)n3)CC2)cn1 ZINC000183430160 437385121 /nfs/dbraw/zinc/38/51/21/437385121.db2.gz CHUBPSDOMKVUJJ-UHFFFAOYSA-N 0 0 330.436 0.914 10 0 ECAERN CCN(C)C(=O)CNC(=O)N1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC000186193492 437464703 /nfs/dbraw/zinc/46/47/03/437464703.db2.gz KJWXTQRPGRMMBQ-AWEZNQCLSA-N 0 0 336.440 0.795 10 0 ECAERN C[C@@H]1C(=O)NCCCN1C(=O)CNC(=O)c1ccc(F)c(F)c1 ZINC000188100179 437525556 /nfs/dbraw/zinc/52/55/56/437525556.db2.gz PMCVSOWLAIBLPD-SECBINFHSA-N 0 0 325.315 0.432 10 0 ECAERN CCCCCS(=O)(=O)CC(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188526821 437554551 /nfs/dbraw/zinc/55/45/51/437554551.db2.gz UYZOPGKQSIBAAX-UHFFFAOYSA-N 0 0 330.450 0.719 10 0 ECAERN COC[C@H]1CN(Cc2nnnn2CC2CCOCC2)CC(C)(C)O1 ZINC000343353286 437564960 /nfs/dbraw/zinc/56/49/60/437564960.db2.gz WQBVJSCIWXRSFL-CQSZACIVSA-N 0 0 339.440 0.726 10 0 ECAERN CCn1ccnc1CN1C[C@H](COCC(=O)N(C)C)OC(C)(C)C1 ZINC000343348907 437565913 /nfs/dbraw/zinc/56/59/13/437565913.db2.gz SXYHLBXRNMLYFQ-CQSZACIVSA-N 0 0 338.452 0.987 10 0 ECAERN CNC(=O)[C@H](NC(=O)C(=O)Nc1cnn([C@H](C)C2CC2)c1)C(C)C ZINC000188986225 437580060 /nfs/dbraw/zinc/58/00/60/437580060.db2.gz ZHVHYVAJJZHOJE-ZWNOBZJWSA-N 0 0 335.408 0.679 10 0 ECAERN CCc1ccc(N2C[C@@H](C(=O)N3CC(NC(C)=O)C3)CC2=O)cc1 ZINC000190500920 437629676 /nfs/dbraw/zinc/62/96/76/437629676.db2.gz IZFLYYXGUDXQMJ-AWEZNQCLSA-N 0 0 329.400 0.949 10 0 ECAERN O=C(N[C@H](Cc1ccccc1)C(F)(F)F)NN1CC(=O)NC1=O ZINC000190985232 437644193 /nfs/dbraw/zinc/64/41/93/437644193.db2.gz WSWWXEXQKLYXPA-SECBINFHSA-N 0 0 330.266 0.926 10 0 ECAERN Cc1nc(NC(=O)C(=O)N2CCN(C[C@@H](C)O)[C@H](C)C2)sc1C ZINC000193103885 437702982 /nfs/dbraw/zinc/70/29/82/437702982.db2.gz WNKJKJAZBCWLPB-NXEZZACHSA-N 0 0 340.449 0.612 10 0 ECAERN CCCCOC[C@@H](O)CN1CCN([C@H](C)C(=O)NC2CC2)CC1 ZINC000193368252 437709785 /nfs/dbraw/zinc/70/97/85/437709785.db2.gz RJRKPVMLDDTKNQ-ZBFHGGJFSA-N 0 0 327.469 0.449 10 0 ECAERN O=C(CN1CCN(Cc2ccccc2)CC1)N1C[C@@H](F)C[C@H]1CO ZINC000347446700 437890877 /nfs/dbraw/zinc/89/08/77/437890877.db2.gz YQSFHTLNVDGVFR-IRXDYDNUSA-N 0 0 335.423 0.736 10 0 ECAERN CCOc1ncnc2c1CN(C(=O)[C@H]1CSCN1C(C)=O)CC2 ZINC000371180325 437895771 /nfs/dbraw/zinc/89/57/71/437895771.db2.gz IZJBZKXMLMAIPJ-CYBMUJFWSA-N 0 0 336.417 0.681 10 0 ECAERN Cc1cc(C)n(-c2cncc(N3CC[C@@]4(C3)NC(=O)N(C)C4=O)n2)n1 ZINC000368444983 438331895 /nfs/dbraw/zinc/33/18/95/438331895.db2.gz GCXGDYYSCQLHQH-INIZCTEOSA-N 0 0 341.375 0.410 10 0 ECAERN CNC(=O)[C@@H]1CCCN(S(=O)(=O)[C@H]2CCC[C@@H]2C(=O)OC)C1 ZINC000389627122 438427931 /nfs/dbraw/zinc/42/79/31/438427931.db2.gz STNFXLJMYGHGDM-WOPDTQHZSA-N 0 0 332.422 0.116 10 0 ECAERN NS(=O)(=O)c1cccc(-c2ccc(CO)cc2)c1-c1nn[nH]n1 ZINC000584611694 439605133 /nfs/dbraw/zinc/60/51/33/439605133.db2.gz NVAPOOJIRBPVGS-UHFFFAOYSA-N 0 0 331.357 0.673 10 0 ECAERN O=c1/c(=C/N2CCN(Cc3ccccc3)CC2)sc2ncnn12 ZINC000618255298 440090721 /nfs/dbraw/zinc/09/07/21/440090721.db2.gz VVJPIAFJAPZRCJ-KAMYIIQDSA-N 0 0 327.413 0.426 10 0 ECAERN Cc1ccc(-n2nnnc2N2CCC[C@@](O)(CC(=O)N(C)C)C2)cc1 ZINC000643719881 440282369 /nfs/dbraw/zinc/28/23/69/440282369.db2.gz NQFVMBGDNZNCJN-QGZVFWFLSA-N 0 0 344.419 0.780 10 0 ECAERN O=C([O-])[C@H]1CC[C@H](C(=O)N2CCN(c3ccccc3)C(=O)C2)C[NH2+]1 ZINC000630706626 440944793 /nfs/dbraw/zinc/94/47/93/440944793.db2.gz ODVPLHPJTMOMGY-GXTWGEPZSA-N 0 0 331.372 0.315 10 0 ECAERN CO[C@@H]1CN(S(=O)(=O)N(C)[C@H](C)C2CC2)C[C@H]1c1cn[nH]n1 ZINC000657144134 440971987 /nfs/dbraw/zinc/97/19/87/440971987.db2.gz BAZIKXUGHBDQHJ-SUZMYJTESA-N 0 0 329.426 0.194 10 0 ECAERN CC(=O)NCCCNC(=O)[C@@H]1CC[C@@H](C(=O)[O-])N1Cc1ccccc1 ZINC000630660815 440933751 /nfs/dbraw/zinc/93/37/51/440933751.db2.gz ZABLCLNSBTUTNH-HOTGVXAUSA-N 0 0 347.415 0.747 10 0 ECAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)NCCCn3ccnn3)CCO2)n1 ZINC000182482223 320530225 /nfs/dbraw/zinc/53/02/25/320530225.db2.gz LNZSXPZWCCGILN-HNNXBMFYSA-N 0 0 347.423 0.592 10 0 ECAERN O=C(NCCNC(=O)N1CC(NC(=O)C2CC2)C1)c1cccs1 ZINC000190263948 320539518 /nfs/dbraw/zinc/53/95/18/320539518.db2.gz YWTUOKBYDYXUOG-UHFFFAOYSA-N 0 0 336.417 0.398 10 0 ECAERN CN1CCN(CC(=O)N2CCN[C@@H](c3cccc(F)c3)C2)CC1=O ZINC000328657212 320725250 /nfs/dbraw/zinc/72/52/50/320725250.db2.gz OOOFXRXVHGUGJC-OAHLLOKOSA-N 0 0 334.395 0.073 10 0 ECAERN O=C(c1cccc2c1OCC(=O)N2)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000328968083 320745391 /nfs/dbraw/zinc/74/53/91/320745391.db2.gz TZIPHQMFFCOMPQ-SNVBAGLBSA-N 0 0 330.300 0.884 10 0 ECAERN CS(=O)(=O)C[C@H]1CCN(C(=O)[C@@H]2COCCN2CC2CCC2)C1 ZINC000329217756 320760528 /nfs/dbraw/zinc/76/05/28/320760528.db2.gz QRYRTFVZUQDNDT-GJZGRUSLSA-N 0 0 344.477 0.380 10 0 ECAERN CC[C@H](C)C(=O)N1CCC[C@H](C(=O)N2CCC[C@@](O)(C(N)=O)C2)C1 ZINC000367574792 321693465 /nfs/dbraw/zinc/69/34/65/321693465.db2.gz XFSOOBRYTBMQKU-DCGLDWPTSA-N 0 0 339.436 0.110 10 0 ECAERN NC(=O)c1cccc(OCCC(=O)N[C@@H]2CCCn3ncnc32)c1 ZINC000175711232 534499490 /nfs/dbraw/zinc/49/94/90/534499490.db2.gz ZJCVDZNEWMXHPG-CYBMUJFWSA-N 0 0 329.360 0.797 10 0 ECAERN NC(=O)c1cccc(OCCC(=O)N[C@H]2CCCn3ncnc32)c1 ZINC000175711250 534499823 /nfs/dbraw/zinc/49/98/23/534499823.db2.gz ZJCVDZNEWMXHPG-ZDUSSCGKSA-N 0 0 329.360 0.797 10 0 ECAERN Cc1onc(-c2ccccn2)c1C(=O)N1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000157303374 534597254 /nfs/dbraw/zinc/59/72/54/534597254.db2.gz WCNUWSGNGZLXPW-BXKDBHETSA-N 0 0 330.344 0.760 10 0 ECAERN O=C(NC[C@H](O)CN1CCOCC1)[C@H]1C[C@@]12CCc1ccccc12 ZINC000179481087 534626031 /nfs/dbraw/zinc/62/60/31/534626031.db2.gz RTHOVEQYNUGRGS-KVSKMBFKSA-N 0 0 330.428 0.700 10 0 ECAERN O=C(NC[C@H](O)CN1CCOCC1)c1ccc(-c2ncon2)cc1 ZINC000132503474 534626262 /nfs/dbraw/zinc/62/62/62/534626262.db2.gz BGNAGKDCWIWNAS-AWEZNQCLSA-N 0 0 332.360 0.160 10 0 ECAERN Cc1cnn(CCNC(=O)N2CCC(N3CCCNC3=O)CC2)c1 ZINC000133025656 534743344 /nfs/dbraw/zinc/74/33/44/534743344.db2.gz PEBHYMJOCRXEEI-UHFFFAOYSA-N 0 0 334.424 0.781 10 0 ECAERN CC(=O)NC1CN(C(=O)C(=O)Nc2ccccc2-n2nccc2C)C1 ZINC000191344754 526705068 /nfs/dbraw/zinc/70/50/68/526705068.db2.gz UHJNVWCRRFCURY-UHFFFAOYSA-N 0 0 341.371 0.466 10 0 ECAERN CC(=O)NC1CN(C(=O)C(=O)Nc2cccnc2Br)C1 ZINC000191342240 526705596 /nfs/dbraw/zinc/70/55/96/526705596.db2.gz WEGBNCZYIHPKJJ-UHFFFAOYSA-N 0 0 341.165 0.130 10 0 ECAERN CC(C)[C@H](O)CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000178860910 527718642 /nfs/dbraw/zinc/71/86/42/527718642.db2.gz KXDDISUVUAAVLP-OAHLLOKOSA-N 0 0 340.445 0.927 10 0 ECAERN CCCN(CCO)C(=O)N[C@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000173561076 528095024 /nfs/dbraw/zinc/09/50/24/528095024.db2.gz BWQVINQTBMQORG-ZDUSSCGKSA-N 0 0 337.424 0.638 10 0 ECAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NC[C@@H](C)Cn1ccnc1 ZINC000153786665 528806865 /nfs/dbraw/zinc/80/68/65/528806865.db2.gz CYTVTIDNNIDLNQ-ZIAGYGMSSA-N 0 0 342.465 0.840 10 0 ECAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NCc1cccc(CO)c1 ZINC000171508666 528808781 /nfs/dbraw/zinc/80/87/81/528808781.db2.gz PNNLRESZXCJDBD-HNNXBMFYSA-N 0 0 340.445 0.999 10 0 ECAERN CCCCNC(=O)NC(=O)CN1CCN(CCOCC)[C@H](C)C1 ZINC000105835045 545739869 /nfs/dbraw/zinc/73/98/69/545739869.db2.gz IFGMZGSAVDGRBL-CQSZACIVSA-N 0 0 328.457 0.655 10 0 ECAERN Cc1cnn(C[C@@H]2CN(S(=O)(=O)CC[C@@H]3CCCO3)CCO2)c1 ZINC000120410987 545750970 /nfs/dbraw/zinc/75/09/70/545750970.db2.gz BQTROWYAWYRMKD-LSDHHAIUSA-N 0 0 343.449 0.791 10 0 ECAERN CCc1noc(CC)c1CC(=O)NC[C@H](O)CN1CCOCC1 ZINC000133094096 545795527 /nfs/dbraw/zinc/79/55/27/545795527.db2.gz RPZDGFCWVSGQDC-LBPRGKRZSA-N 0 0 325.409 0.151 10 0 ECAERN CN1CCO[C@H](C(=O)N2CCN(Cc3cnn(C(C)(C)C)c3)CC2)C1 ZINC000174862055 545869270 /nfs/dbraw/zinc/86/92/70/545869270.db2.gz DZDDDSOFNASPGN-INIZCTEOSA-N 0 0 349.479 0.613 10 0 ECAERN COCCN1CCN(C(=O)C(=O)Nc2cnn(CC3CC3)c2)C[C@@H]1C ZINC000177938827 545875686 /nfs/dbraw/zinc/87/56/86/545875686.db2.gz IYFCMXILZAAIMO-ZDUSSCGKSA-N 0 0 349.435 0.411 10 0 ECAERN C[C@@H](NC(=O)[C@H]1CCCN1S(C)(=O)=O)c1nnc2n1CCCC2 ZINC000178607083 545877900 /nfs/dbraw/zinc/87/79/00/545877900.db2.gz MTUWRFBHIPPDIR-GHMZBOCLSA-N 0 0 341.437 0.216 10 0 ECAERN C[C@H](NC(=O)[C@H]1CCCN1S(C)(=O)=O)c1nnc2n1CCCC2 ZINC000178607079 545878407 /nfs/dbraw/zinc/87/84/07/545878407.db2.gz MTUWRFBHIPPDIR-WDEREUQCSA-N 0 0 341.437 0.216 10 0 ECAERN CNC(=O)[C@H](NC(=O)N[C@H]1CCN(C(=O)C2CCCC2)C1)C(C)C ZINC000178439728 545878610 /nfs/dbraw/zinc/87/86/10/545878610.db2.gz ZIUZOELECLZCAR-UONOGXRCSA-N 0 0 338.452 0.847 10 0 ECAERN CCc1nn(C)cc1CN1CCN(c2ccc3nncn3n2)CC1 ZINC000180081486 545882650 /nfs/dbraw/zinc/88/26/50/545882650.db2.gz SFXBOYUUNAUQPR-UHFFFAOYSA-N 0 0 326.408 0.742 10 0 ECAERN CS(=O)(=O)C[C@@H](NC[C@@H](O)CN1CCCC1=O)c1ccccc1 ZINC000181783617 545888314 /nfs/dbraw/zinc/88/83/14/545888314.db2.gz BECHXHAVYNWJIN-HUUCEWRRSA-N 0 0 340.445 0.345 10 0 ECAERN CC(C)[C@H](NC(=O)C(=O)Nc1ccnn1-c1ccccc1)C(N)=O ZINC000189530654 545905678 /nfs/dbraw/zinc/90/56/78/545905678.db2.gz KSNFRKICDUYAOV-ZDUSSCGKSA-N 0 0 329.360 0.437 10 0 ECAERN CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1cc(C(F)(F)F)ccn1 ZINC000193572410 545912395 /nfs/dbraw/zinc/91/23/95/545912395.db2.gz DKGCMWRDORKEEI-SECBINFHSA-N 0 0 344.293 0.776 10 0 ECAERN Cc1nc2c([nH]1)C[C@@H](C(=O)NCc1ccc(S(N)(=O)=O)cc1)CC2 ZINC000220609802 545922185 /nfs/dbraw/zinc/92/21/85/545922185.db2.gz GEDLBJKUHPYXDY-LBPRGKRZSA-N 0 0 348.428 0.787 10 0 ECAERN CS(=O)(=O)N1CCCC[C@@H]1C(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000248023307 545942332 /nfs/dbraw/zinc/94/23/32/545942332.db2.gz OCXHDATVNNKUAS-FMKPAKJESA-N 0 0 344.477 0.954 10 0 ECAERN CS(=O)(=O)N1CCCC[C@@H]1C(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000248023314 545942339 /nfs/dbraw/zinc/94/23/39/545942339.db2.gz OCXHDATVNNKUAS-SQWLQELKSA-N 0 0 344.477 0.954 10 0 ECAERN CO[C@@H]1CN(CC(=O)N2CCc3ccccc3C2)C[C@H]1c1c[nH]nn1 ZINC000621321631 546504534 /nfs/dbraw/zinc/50/45/34/546504534.db2.gz QRKFERKVSZTDKG-DOTOQJQBSA-N 0 0 341.415 0.804 10 0 ECAERN CCn1cc(O[C@@H]2CN(c3ccc(C(=O)N(C)C)cn3)C[C@H]2O)cn1 ZINC000624420452 546922621 /nfs/dbraw/zinc/92/26/21/546922621.db2.gz CHCSXWKXPLJOCL-HUUCEWRRSA-N 0 0 345.403 0.628 10 0 ECAERN O=C(c1ccc2[nH][nH]c(=O)c2c1)N1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000668378271 547640060 /nfs/dbraw/zinc/64/00/60/547640060.db2.gz NXTFIYGSTIVWTP-CABCVRRESA-N 0 0 330.388 0.940 10 0 ECAERN CC[C@@H](C)c1nnc(N2CC[C@H](n3cc(C(N)=O)nn3)C2)n1CC ZINC000669099008 547827642 /nfs/dbraw/zinc/82/76/42/547827642.db2.gz LFSGFTWCBCJKMD-MNOVXSKESA-N 0 0 332.412 0.953 10 0 ECAERN Cc1ccc(-n2nnnc2N2CC[C@@](O)(Cn3ccnn3)C2)cc1 ZINC000671467017 548154199 /nfs/dbraw/zinc/15/41/99/548154199.db2.gz SZVISBJHYKSMPM-HNNXBMFYSA-N 0 0 326.364 0.204 10 0 ECAERN O=C(N[C@H]1CCC(=O)N[C@@H]1[C@@H]1CCCO1)c1cnn2cccnc12 ZINC000685883878 549723832 /nfs/dbraw/zinc/72/38/32/549723832.db2.gz MEATYWHNAAFCMP-OBJOEFQTSA-N 0 0 329.360 0.285 10 0 ECAERN O=C(COc1ncccn1)NCc1ccnc(N2CCCCC2)n1 ZINC000224209146 564088772 /nfs/dbraw/zinc/08/87/72/564088772.db2.gz QYQMVOWMAYFEQV-UHFFFAOYSA-N 0 0 328.376 0.952 10 0 ECAERN CO[C@@H]1C[C@H](c2ncc[nH]2)N(S(=O)(=O)c2cn(C)nc2C)C1 ZINC000888077498 586245643 /nfs/dbraw/zinc/24/56/43/586245643.db2.gz FBCKPFHATZCSFM-GHMZBOCLSA-N 0 0 325.394 0.602 10 0 ECAERN CCn1ccc(C(=O)N2CC(N3CCOC[C@H]3c3nc(C)no3)C2)n1 ZINC000888094134 586348439 /nfs/dbraw/zinc/34/84/39/586348439.db2.gz OPKICELEWUVPEL-AWEZNQCLSA-N 0 0 346.391 0.492 10 0 ECAERN CCn1ncnc1CNC(=O)c1coc(CN2CC[C@H](OC)C2)n1 ZINC000888095300 586349515 /nfs/dbraw/zinc/34/95/15/586349515.db2.gz ORKNCOASLUPZDO-NSHDSACASA-N 0 0 334.380 0.437 10 0 ECAERN Cc1noc([C@@H]2COCCN2C2CN(c3ncnc4[nH]ccc43)C2)n1 ZINC000888099422 586350178 /nfs/dbraw/zinc/35/01/78/586350178.db2.gz YPRZSPOAADJAKU-ZDUSSCGKSA-N 0 0 341.375 0.911 10 0 ECAERN C[C@H](NC(=O)[C@H]1OCCN(C)C1=O)c1ccc(S(C)(=O)=O)cc1 ZINC000900034004 586519667 /nfs/dbraw/zinc/51/96/67/586519667.db2.gz OURATJKSJUVFQQ-GXFFZTMASA-N 0 0 340.401 0.125 10 0 ECAERN CN(C[C@H]1CCn2ccnc2C1)C(=O)c1ccnn1CC[NH+](C)C ZINC000907569800 586736991 /nfs/dbraw/zinc/73/69/91/586736991.db2.gz OKCUPZYRAFVAMG-AWEZNQCLSA-N 0 0 330.436 0.976 10 0 ECAERN Cc1nnc2n1C[C@H](C(N)=O)N(C(=O)CCc1cc(F)ccc1F)C2 ZINC000818350114 587424653 /nfs/dbraw/zinc/42/46/53/587424653.db2.gz QRRXPGIXYGHHKJ-CYBMUJFWSA-N 0 0 349.341 0.694 10 0 ECAERN COCc1nn(CN2CCC[C@H](Cn3nc(C)nc3C)C2)c(=O)o1 ZINC000119737026 590048902 /nfs/dbraw/zinc/04/89/02/590048902.db2.gz AUJKKLOZSDLBJM-ZDUSSCGKSA-N 0 0 336.396 0.561 10 0 ECAERN C[C@@H]1CN(Cn2nc(-c3ccccc3F)ccc2=O)C[C@H](C(N)=O)O1 ZINC000120217198 590101651 /nfs/dbraw/zinc/10/16/51/590101651.db2.gz LSIOISZEMUXLNT-IAQYHMDHSA-N 0 0 346.362 0.582 10 0 ECAERN CCCn1c(CO)nn(CN2CCC[C@H](NC(C)=O)C2)c1=S ZINC000120381020 590124603 /nfs/dbraw/zinc/12/46/03/590124603.db2.gz UXMYRZWFLSNRMZ-LBPRGKRZSA-N 0 0 327.454 0.874 10 0 ECAERN O=C(NC[C@@H](O)CN1CCOCC1)Nc1cccc(C(F)(F)F)n1 ZINC000124230006 590145676 /nfs/dbraw/zinc/14/56/76/590145676.db2.gz RCDJKIBLPDRWJO-SNVBAGLBSA-N 0 0 348.325 0.915 10 0 ECAERN Cn1c(CN2CC[NH+]([C@@]3(C(=O)[O-])CCOC3)CC2)nnc1C1CC1 ZINC000886071900 590790010 /nfs/dbraw/zinc/79/00/10/590790010.db2.gz PFKWQUZYTNOSRI-INIZCTEOSA-N 0 0 335.408 0.054 10 0 ECAERN CO[C@H]1CCCCN(CC(=O)NCc2cnc(N(C)C)n2C)C1=O ZINC000886075565 590790986 /nfs/dbraw/zinc/79/09/86/590790986.db2.gz ODLNFNZYZLJCRH-ZDUSSCGKSA-N 0 0 337.424 0.130 10 0 ECAERN COc1ccc(CC(=O)N2CC[NH+]([C@@]3(C(=O)[O-])CCOC3)CC2)cc1 ZINC000886096634 590795398 /nfs/dbraw/zinc/79/53/98/590795398.db2.gz HNJNOUXBESFJQT-SFHVURJKSA-N 0 0 348.399 0.626 10 0 ECAERN COc1ccc(CC(=O)N2CC[NH+]([C@]3(C(=O)[O-])CCOC3)CC2)cc1 ZINC000886096633 590795874 /nfs/dbraw/zinc/79/58/74/590795874.db2.gz HNJNOUXBESFJQT-GOSISDBHSA-N 0 0 348.399 0.626 10 0 ECAERN CO[C@H]1CC(=O)N(CN2CCN(Cc3cnn(C(C)(C)C)c3)CC2)C1 ZINC000189133112 611499556 /nfs/dbraw/zinc/49/95/56/611499556.db2.gz NGBFZMDZZFUSLV-INIZCTEOSA-N 0 0 349.479 0.961 10 0 ECAERN CN1CCCc2ccc(S(=O)(=O)N3CC(NC(=O)C4CC4)C3)cc21 ZINC000187915602 611530345 /nfs/dbraw/zinc/53/03/45/611530345.db2.gz VHCLUUNZEHOJDJ-UHFFFAOYSA-N 0 0 349.456 0.968 10 0 ECAERN NC(=O)CN1C[C@H](OC(=O)Cc2cccc(OC(F)F)c2)CC1=O ZINC000070040404 608633473 /nfs/dbraw/zinc/63/34/73/608633473.db2.gz ZCTMUPWLSUXLBN-LLVKDONJSA-N 0 0 342.298 0.460 10 0 ECAERN CCOCCN1CCN(C(=O)C(=O)Nc2ccc(F)nc2)C[C@@H]1C ZINC000160361736 608659087 /nfs/dbraw/zinc/65/90/87/608659087.db2.gz BOOCFFRFMJGJBW-LBPRGKRZSA-N 0 0 338.383 0.728 10 0 ECAERN CC(C)NC(=O)c1ccc2c(c1)nnn2CCN1C(=O)CNC1=O ZINC000064956996 608708893 /nfs/dbraw/zinc/70/88/93/608708893.db2.gz CMZWCAXXOGSRIA-UHFFFAOYSA-N 0 0 330.348 0.121 10 0 ECAERN O=C([C@@H]1CCCO1)N1CCC(c2cc3n(n2)CCCNC3=O)CC1 ZINC000065225709 608795275 /nfs/dbraw/zinc/79/52/75/608795275.db2.gz QRSMVPPCOSTECX-HNNXBMFYSA-N 0 0 332.404 0.902 10 0 ECAERN C[C@H](O)CNC(=O)c1cc2cc(S(=O)(=O)NC3CC3)ccc2o1 ZINC000222807644 609117694 /nfs/dbraw/zinc/11/76/94/609117694.db2.gz MOEZQRLMGCYIOB-VIFPVBQESA-N 0 0 338.385 0.984 10 0 ECAERN CN1C(=O)CC[C@H]1C(=O)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000188428537 611684840 /nfs/dbraw/zinc/68/48/40/611684840.db2.gz XTESBDDDMQXHEN-HOTGVXAUSA-N 0 0 331.416 0.485 10 0 ECAERN COc1cccc(O)c1C(=O)N1CCC[C@](O)(C(=O)N2CCCC2)C1 ZINC000908105282 609644343 /nfs/dbraw/zinc/64/43/43/609644343.db2.gz DRULUHMJJFPXRQ-GOSISDBHSA-N 0 0 348.399 0.990 10 0 ECAERN O=C(N[C@@H]1C[C@H](O)[C@@H]1n1cccn1)[C@@H]1COCCN1C1CCCC1 ZINC000909180193 609681210 /nfs/dbraw/zinc/68/12/10/609681210.db2.gz JVTYDTQXKJBKKK-FXUDXRNXSA-N 0 0 334.420 0.317 10 0 ECAERN O=C(N[C@@H]1C[C@@H](O)[C@@H]1n1cccn1)[C@@H]1CCCC[C@@H]1N1CCCC1=O ZINC000909191637 609684739 /nfs/dbraw/zinc/68/47/39/609684739.db2.gz SNYVMGHVLZXWSF-OWVAZHOYSA-N 0 0 346.431 0.855 10 0 ECAERN O=C(COCC(=O)N1CCCC1)NCCCc1nnc2ccccn21 ZINC000222440960 609701379 /nfs/dbraw/zinc/70/13/79/609701379.db2.gz SEFJICLYAXKWKJ-UHFFFAOYSA-N 0 0 345.403 0.417 10 0 ECAERN CNC(=O)CCNC(=O)[C@@H]1CCC(=O)N1Cc1c[nH]c2ccccc12 ZINC000223387185 609710311 /nfs/dbraw/zinc/71/03/11/609710311.db2.gz LFDFEQMNYCBRBP-HNNXBMFYSA-N 0 0 342.399 0.911 10 0 ECAERN CC(C)[C@@H]1Nc2ncnc(N[C@@H]3CCS(=O)(=O)C3)c2NC1=O ZINC000223987666 609716409 /nfs/dbraw/zinc/71/64/09/609716409.db2.gz WTZHHLRDQUPYEC-BDAKNGLRSA-N 0 0 325.394 0.464 10 0 ECAERN COC[C@H]1CN(C(C)=O)CC12CCN(C(=O)Cn1ccc(C)n1)CC2 ZINC000169782820 609746989 /nfs/dbraw/zinc/74/69/89/609746989.db2.gz KYQQGKDSXCFENE-MRXNPFEDSA-N 0 0 348.447 0.925 10 0 ECAERN CCOC(=O)N1CCC(NC(=O)C(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000170332439 609750154 /nfs/dbraw/zinc/75/01/54/609750154.db2.gz WLJCTLNFULCCFH-RYUDHWBXSA-N 0 0 341.408 0.359 10 0 ECAERN C/C=C\CN1C[C@@H](NC(=O)c2ccc(N)nc2)C[C@H]1C(=O)NCC ZINC000230024518 609763839 /nfs/dbraw/zinc/76/38/39/609763839.db2.gz CONHIZCXAJXACV-DWMAKUKJSA-N 0 0 331.420 0.549 10 0 ECAERN COCC[N@@H+]1CCN(CN2C(=O)N[C@](C)(C(C)C)C2=O)C[C@@H]1C ZINC000151505167 609791615 /nfs/dbraw/zinc/79/16/15/609791615.db2.gz NPAYRQUTPNTCBS-XJKSGUPXSA-N 0 0 326.441 0.563 10 0 ECAERN O=C([C@H]1CCCn2cc(C(F)(F)F)nc21)N1CCOC[C@H]1CO ZINC000912430610 609955584 /nfs/dbraw/zinc/95/55/84/609955584.db2.gz IAAKBXHBSAPJCG-ZJUUUORDSA-N 0 0 333.310 0.999 10 0 ECAERN COc1ccc(N2C[C@@H](C(=O)N3CCOC[C@H]3CO)CC2=O)cc1 ZINC000912426239 609957940 /nfs/dbraw/zinc/95/79/40/609957940.db2.gz CJWNNDXIWPVWAM-GXTWGEPZSA-N 0 0 334.372 0.268 10 0 ECAERN CCc1ccc(N2C[C@H](C(=O)N3CCOC[C@H]3CO)CC2=O)cc1 ZINC000912427038 609958205 /nfs/dbraw/zinc/95/82/05/609958205.db2.gz GQUMTXDFHRRNAX-GDBMZVCRSA-N 0 0 332.400 0.822 10 0 ECAERN CCn1ccnc1[C@@H]1OCC[C@H]1NC(=O)CNC(=O)N1CCCC1 ZINC000913051622 610033559 /nfs/dbraw/zinc/03/35/59/610033559.db2.gz PTBQFLUFVXRHMV-TZMCWYRMSA-N 0 0 335.408 0.655 10 0 ECAERN C[C@@H](NC(=O)c1ccco1)C(=O)Oc1ccc(-n2cnnn2)cc1 ZINC000072507478 610984375 /nfs/dbraw/zinc/98/43/75/610984375.db2.gz VIMJSCOZSINJLG-SNVBAGLBSA-N 0 0 327.300 0.979 10 0 ECAERN O=C(c1nc(Cl)ccc1Cl)N1CC[C@@]2(C1)NC(=O)NC2=O ZINC000084795937 612097003 /nfs/dbraw/zinc/09/70/03/612097003.db2.gz FOZDOVWAXLZIFR-LBPRGKRZSA-N 0 0 329.143 0.813 10 0 ECAERN Cc1n[nH]nc1C(=O)N1CCC(N(C)CC(=O)OC(C)(C)C)CC1 ZINC000194600841 612236120 /nfs/dbraw/zinc/23/61/20/612236120.db2.gz LLJRPBFWUWAGCG-UHFFFAOYSA-N 0 0 337.424 0.991 10 0 ECAERN O=C1CCCN1C[C@H](O)CN1CCOC[C@@H]1C[C@@H](O)c1ccco1 ZINC000246012883 612762721 /nfs/dbraw/zinc/76/27/21/612762721.db2.gz LGITXMWBRVQFFV-RRFJBIMHSA-N 0 0 338.404 0.387 10 0 ECAERN O=C(NC[C@@H](O)CN1CCOCC1)c1ccn(-c2ccccc2)n1 ZINC000121107526 295658665 /nfs/dbraw/zinc/65/86/65/295658665.db2.gz RIXZCZJJAPGJFD-OAHLLOKOSA-N 0 0 330.388 0.295 10 0 ECAERN CCOC(=O)[C@@]12C(=O)C(=O)N[C@]1(c1ccccc1)[C@@H]1OCCC[C@@H]12 ZINC000004665037 210241819 /nfs/dbraw/zinc/24/18/19/210241819.db2.gz FWGNZLPMMZQUBX-WPPQDWHVSA-N 0 0 329.352 0.939 10 0 ECAERN Cc1cc(N2CCC[C@H](NC(=O)c3ccn(C)c(=O)c3)C2=O)n(C)n1 ZINC000174983413 231359686 /nfs/dbraw/zinc/35/96/86/231359686.db2.gz DMVYBKBAGRCGAH-ZDUSSCGKSA-N 0 0 343.387 0.353 10 0 ECAERN C[C@H]1CCCC[N@@H+]1CCC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)[O-] ZINC000049478041 214012038 /nfs/dbraw/zinc/01/20/38/214012038.db2.gz PSNYDUXVRSHRAI-RYUDHWBXSA-N 0 0 334.438 0.255 10 0 ECAERN CN1CC[NH2+]C[C@@H]1c1noc(-c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)n1 ZINC000263245696 290061496 /nfs/dbraw/zinc/06/14/96/290061496.db2.gz PFDPMVOSQOSLLS-SECBINFHSA-N 0 0 329.320 0.062 10 0 ECAERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1ccccc1-n1cccn1 ZINC000166899143 529901620 /nfs/dbraw/zinc/90/16/20/529901620.db2.gz VCUNUMSMKJHYJP-AWEZNQCLSA-N 0 0 341.371 0.548 10 0 ECAERN CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1ccc2ncsc2c1 ZINC000166867328 529923123 /nfs/dbraw/zinc/92/31/23/529923123.db2.gz OJGDXFMNIPNIOG-LLVKDONJSA-N 0 0 332.385 0.972 10 0 ECAERN O=C(CSC[C@@H](O)CO)NCCc1cnn(-c2ccccc2)c1 ZINC000177434493 231893233 /nfs/dbraw/zinc/89/32/33/231893233.db2.gz AVABXDBUXIJKBM-HNNXBMFYSA-N 0 0 335.429 0.617 10 0 ECAERN O=C(Nc1ccc(F)c(F)c1F)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000177625191 231943027 /nfs/dbraw/zinc/94/30/27/231943027.db2.gz XFOCKCCOOALHPE-SSDOTTSWSA-N 0 0 339.277 0.765 10 0 ECAERN CC(=O)Oc1ccc(/C=c2\sc3ncnn3c2=O)c(OC(C)=O)c1 ZINC000047154595 213833203 /nfs/dbraw/zinc/83/32/03/213833203.db2.gz TVNCCHSUJJCCIC-ACAGNQJTSA-N 0 0 345.336 0.549 10 0 ECAERN Cc1ccn(C)c(=O)c1NC(=O)C(=O)N1CCC[C@@H]1c1cnn(C)c1 ZINC000179656326 233283570 /nfs/dbraw/zinc/28/35/70/233283570.db2.gz KIZVUMCDIUZYGR-CYBMUJFWSA-N 0 0 343.387 0.729 10 0 ECAERN Nc1ccc(Br)cc1S(=O)(=O)N[C@H]1CCC(=O)NC1 ZINC000104338482 219375202 /nfs/dbraw/zinc/37/52/02/219375202.db2.gz UGZXZLZOLBFLMJ-QMMMGPOBSA-N 0 0 348.222 0.588 10 0 ECAERN CC(C)C[C@@H](NS(C)(=O)=O)C(=O)NCc1cccnc1N(C)C ZINC000040534594 213339398 /nfs/dbraw/zinc/33/93/98/213339398.db2.gz KTULGHHDSJZELU-CYBMUJFWSA-N 0 0 342.465 0.728 10 0 ECAERN COC(=O)c1occc1CN1CCN(c2ccc3nncn3n2)CC1 ZINC000105816993 219539789 /nfs/dbraw/zinc/53/97/89/219539789.db2.gz NHMUIVBRJLJXFE-UHFFFAOYSA-N 0 0 342.359 0.826 10 0 ECAERN COC(=O)CNC(=O)CN1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000195513588 291088332 /nfs/dbraw/zinc/08/83/32/291088332.db2.gz MZAREYBCNWBYLF-LBPRGKRZSA-N 0 0 335.408 0.431 10 0 ECAERN CNC(=O)CCN(C)C(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 ZINC000179315960 283301258 /nfs/dbraw/zinc/30/12/58/283301258.db2.gz BQLWTRWMJGGETR-XJKSGUPXSA-N 0 0 335.379 0.940 10 0 ECAERN CCn1c2ccccc2n(CC(=O)NC[C@H]2CCCO2)c(=O)c1=O ZINC000033268662 212912582 /nfs/dbraw/zinc/91/25/82/212912582.db2.gz FPXXNYLLRNGHJW-GFCCVEGCSA-N 0 0 331.372 0.478 10 0 ECAERN NC(=O)Cn1c2ccc(S(=O)(=O)N3CCCCC3)cc2oc1=O ZINC000027915000 212584879 /nfs/dbraw/zinc/58/48/79/212584879.db2.gz ZJQRSIFKSAWQKR-UHFFFAOYSA-N 0 0 339.373 0.254 10 0 ECAERN O=C(Nc1ccc(-n2ccnn2)cc1)C(=O)N[C@@H]1CCCC[C@H]1CO ZINC000130644936 223167022 /nfs/dbraw/zinc/16/70/22/223167022.db2.gz GZGHNTDEVQGJMG-SWLSCSKDSA-N 0 0 343.387 0.873 10 0 ECAERN COC(=O)[C@@H](Cn1ccnc1)[C@@](O)(c1nccn1C)C(F)(F)F ZINC000012558780 291256453 /nfs/dbraw/zinc/25/64/53/291256453.db2.gz IVZLVJVDNFPBEV-BXKDBHETSA-N 0 0 332.282 0.856 10 0 ECAERN CN1CCO[C@H](CNC(=O)[C@H]2CC(c3cc(F)ccc3F)=NO2)C1 ZINC000246559215 243270059 /nfs/dbraw/zinc/27/00/59/243270059.db2.gz FFQNAQYHCMFORQ-IAQYHMDHSA-N 0 0 339.342 0.905 10 0 ECAERN CN1CCNC(=O)[C@H]1CC(=O)NCCc1cnn(-c2ccccc2)c1 ZINC000020202714 212111228 /nfs/dbraw/zinc/11/12/28/212111228.db2.gz IHIIMZVJEFXKDX-MRXNPFEDSA-N 0 0 341.415 0.351 10 0 ECAERN Cc1cccc2nc(CN3CCO[C@@H](C[N@@H+](C)CC(=O)[O-])C3)cn21 ZINC000262876905 245227423 /nfs/dbraw/zinc/22/74/23/245227423.db2.gz MZCAYLFPMPCUMV-HNNXBMFYSA-N 0 0 332.404 0.860 10 0 ECAERN Cc1cc(C)n(C[C@H]2CN(C(=O)NCCNC(=O)C3CC3)CCO2)n1 ZINC000111802290 220192696 /nfs/dbraw/zinc/19/26/96/220192696.db2.gz LGDOPJFWRZRQDX-OAHLLOKOSA-N 0 0 349.435 0.437 10 0 ECAERN COc1cc(CNC(=O)N2CCO[C@@H](Cn3cccn3)C2)ccn1 ZINC000111811936 220193916 /nfs/dbraw/zinc/19/39/16/220193916.db2.gz NWINNHLMZAFFQP-CQSZACIVSA-N 0 0 331.376 0.897 10 0 ECAERN Cn1cc(CCCNC(=O)N2CCO[C@H](Cn3cccn3)C2)cn1 ZINC000111851937 220207931 /nfs/dbraw/zinc/20/79/31/220207931.db2.gz DQJIHPSHABBJNP-HNNXBMFYSA-N 0 0 332.408 0.660 10 0 ECAERN C[C@@H](O)C1CCN(C(=O)C(=O)Nc2ccc(-n3ccnn3)cc2)CC1 ZINC000111920424 220224900 /nfs/dbraw/zinc/22/49/00/220224900.db2.gz LTQKWNRHRQBBOY-GFCCVEGCSA-N 0 0 343.387 0.825 10 0 ECAERN Cc1cnn(C[C@@H]2CN(C(=O)C(=O)Nc3cccnc3)CCO2)c1 ZINC000112147781 220253568 /nfs/dbraw/zinc/25/35/68/220253568.db2.gz GJSCMJLRGSIVQF-AWEZNQCLSA-N 0 0 329.360 0.453 10 0 ECAERN NC(=O)[C@@H]1COCCN1C(=O)c1cc(F)ccc1Br ZINC000091783498 295119689 /nfs/dbraw/zinc/11/96/89/295119689.db2.gz NFOCRFLOXSPTEO-JTQLQIEISA-N 0 0 331.141 0.915 10 0 ECAERN Cc1c(C(=O)N2CCOC[C@@H]2C(N)=O)cnn1-c1ccccc1C ZINC000091781063 218064935 /nfs/dbraw/zinc/06/49/35/218064935.db2.gz CQRPGWQVZXHAPE-OAHLLOKOSA-N 0 0 328.372 0.815 10 0 ECAERN NC(=O)[C@H]1COCCN1C(=O)COc1ccccc1Br ZINC000091781281 218065183 /nfs/dbraw/zinc/06/51/83/218065183.db2.gz VBPKIPBCLFZDQY-SNVBAGLBSA-N 0 0 343.177 0.541 10 0 ECAERN Cc1c(C(=O)N2CCOC[C@H]2C(N)=O)cnn1-c1ccc(F)cc1 ZINC000091780749 218065264 /nfs/dbraw/zinc/06/52/64/218065264.db2.gz ARJWHAVZCRJEMR-AWEZNQCLSA-N 0 0 332.335 0.646 10 0 ECAERN NC(=O)c1ccc(-c2nc(CN3CCOC[C@@H]3C(N)=O)cs2)cc1 ZINC000092421235 218139973 /nfs/dbraw/zinc/13/99/73/218139973.db2.gz XDPRRUIJIKPSCC-CYBMUJFWSA-N 0 0 346.412 0.595 10 0 ECAERN CNC(=O)[C@H](NC(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1)C(C)C ZINC000178411747 207685885 /nfs/dbraw/zinc/68/58/85/207685885.db2.gz BVMFORLIMOOFDA-TZMCWYRMSA-N 0 0 336.440 0.459 10 0 ECAERN CNC(=O)[C@H](NC(=O)C(=O)Nc1ccccc1-n1cccn1)C(C)C ZINC000179082144 207696860 /nfs/dbraw/zinc/69/68/60/207696860.db2.gz QLFOEMLTXYPIMS-CQSZACIVSA-N 0 0 343.387 0.698 10 0 ECAERN COCC(=O)NC1CN(S(=O)(=O)/C=C/c2ccc(F)cc2)C1 ZINC000187712556 533064301 /nfs/dbraw/zinc/06/43/01/533064301.db2.gz PLODGZXVZKOGGY-VOTSOKGWSA-N 0 0 328.365 0.573 10 0 ECAERN Cc1ccc(C(=O)N[C@H]2CCc3ncnn3C2)cc1NS(C)(=O)=O ZINC000112660322 220367471 /nfs/dbraw/zinc/36/74/71/220367471.db2.gz AQONEEATVWITEE-LBPRGKRZSA-N 0 0 349.416 0.703 10 0 ECAERN O=C(NCCn1c(=O)oc2ccccc21)N[C@@H]1CCc2ncnn2C1 ZINC000112749448 220397019 /nfs/dbraw/zinc/39/70/19/220397019.db2.gz HPIRDYLFJGXZJH-LLVKDONJSA-N 0 0 342.359 0.500 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)Nc1ccn(CCOC)n1)CC2 ZINC000114977715 220797295 /nfs/dbraw/zinc/79/72/95/220797295.db2.gz CJIZOYNARVJNAH-LLVKDONJSA-N 0 0 333.396 0.820 10 0 ECAERN Cn1nccc1C1CCN(C(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)CC1 ZINC000154332828 224239340 /nfs/dbraw/zinc/23/93/40/224239340.db2.gz MGZWAFPXPKOOGT-JSGCOSHPSA-N 0 0 335.408 0.342 10 0 ECAERN COc1ncccc1NC(=O)C(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000116587652 220975180 /nfs/dbraw/zinc/97/51/80/220975180.db2.gz RREUUIWTPUCHSL-NSHDSACASA-N 0 0 329.360 0.778 10 0 ECAERN CCOCCN1CCN(C(=O)C2CCN(C(C)=O)CC2)C[C@@H]1C ZINC000117280115 221041707 /nfs/dbraw/zinc/04/17/07/221041707.db2.gz SLROBIGMVFTVJB-AWEZNQCLSA-N 0 0 325.453 0.814 10 0 ECAERN CC[C@@H](C)NC(=O)CCNC(=O)N1CCN(CCOC)[C@H](C)C1 ZINC000117482767 221069552 /nfs/dbraw/zinc/06/95/52/221069552.db2.gz FUBBXNSCPKGAOU-ZIAGYGMSSA-N 0 0 328.457 0.653 10 0 ECAERN CCS(=O)(=O)CCN1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000118398057 221146538 /nfs/dbraw/zinc/14/65/38/221146538.db2.gz FLSMEFWDTDVKBK-INIZCTEOSA-N 0 0 326.462 0.772 10 0 ECAERN CN(CC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1)c1ncnc2nc[nH]c21 ZINC000119395628 221310292 /nfs/dbraw/zinc/31/02/92/221310292.db2.gz SQKXFRWGKIEUDA-SJKOYZFVSA-N 0 0 344.419 0.943 10 0 ECAERN CCOc1ccnc(N2CCN(C(=O)c3cc[nH]c(=O)c3)CC2)n1 ZINC000155775669 224467462 /nfs/dbraw/zinc/46/74/62/224467462.db2.gz LYSGLOPMBZBREH-UHFFFAOYSA-N 0 0 329.360 0.526 10 0 ECAERN Cc1cc(CN2C[C@@H]3OC[C@H](CNC(=O)c4ccnnc4)[C@@H]3C2)no1 ZINC000247899467 257674845 /nfs/dbraw/zinc/67/48/45/257674845.db2.gz IASSTSMEOPUFJI-BPUTZDHNSA-N 0 0 343.387 0.650 10 0 ECAERN Cc1ccc(C(=O)N2C[C@H]3COC[C@@]3(CN3CCOCC3)C2)nc1 ZINC000247877464 257676045 /nfs/dbraw/zinc/67/60/45/257676045.db2.gz AXMWDBIKXJXGQS-MAUKXSAKSA-N 0 0 331.416 0.811 10 0 ECAERN CS(=O)(=O)N[C@@H]1CN(C(=O)Cc2ccccc2)[C@H]2CCCO[C@@H]12 ZINC000247534057 257680820 /nfs/dbraw/zinc/68/08/20/257680820.db2.gz PXOZQEXJUBWTMZ-YCPHGPKFSA-N 0 0 338.429 0.537 10 0 ECAERN COc1ccc(O[C@@H]2O[C@H](CO)[C@@H]3OC(C)(C)O[C@H]3[C@@H]2O)cc1 ZINC000504065473 257726146 /nfs/dbraw/zinc/72/61/46/257726146.db2.gz IFIVVNHQGPJZBP-CAEXGNQWSA-N 0 0 326.345 0.672 10 0 ECAERN CNC(=O)c1ccc([C@@H]2CCCCN2CC(=O)N2CCNC2=O)n1C ZINC000328635829 258025674 /nfs/dbraw/zinc/02/56/74/258025674.db2.gz NQJSVJSWKXFLLJ-ZDUSSCGKSA-N 0 0 347.419 0.668 10 0 ECAERN CCOCC(=O)N1CC[C@@H](NS(C)(=O)=O)[C@@H]1Cc1ccncc1 ZINC000096201040 286023138 /nfs/dbraw/zinc/02/31/38/286023138.db2.gz JQXFIRSVPAQPHX-KGLIPLIRSA-N 0 0 341.433 0.179 10 0 ECAERN COCCC1(C(=O)N2CCO[C@H](C[N@H+](C)CC(=O)[O-])C2)CCC1 ZINC000262971403 292289027 /nfs/dbraw/zinc/28/90/27/292289027.db2.gz XQELPBKTINYMKV-CYBMUJFWSA-N 0 0 328.409 0.437 10 0 ECAERN CS(=O)(=O)N[C@@H]1CN(C(=O)c2ccncc2)C[C@@H]2CCCO[C@H]12 ZINC000097953454 286621700 /nfs/dbraw/zinc/62/17/00/286621700.db2.gz PYLZXOYKPYRLED-MJBXVCDLSA-N 0 0 339.417 0.250 10 0 ECAERN O=C(N[C@H]1CCN(c2ncccc2F)C1)N[C@@H]1CCc2ncnn2C1 ZINC000129380023 164686751 /nfs/dbraw/zinc/68/67/51/164686751.db2.gz QHQRILMXCDFUAN-NEPJUHHUSA-N 0 0 345.382 0.705 10 0 ECAERN CCn1cc(C(=O)C(=O)N[C@@H]2CCCN(c3cccnn3)C2)cn1 ZINC000135023631 164711634 /nfs/dbraw/zinc/71/16/34/164711634.db2.gz IMZPUILWPZJXAM-CYBMUJFWSA-N 0 0 328.376 0.661 10 0 ECAERN C[C@@H]1CN(C(=O)CS(=O)(=O)C(C)(C)C)C[C@H]1N1CCOCC1 ZINC000154578803 164766699 /nfs/dbraw/zinc/76/66/99/164766699.db2.gz GSFNVRVIDXCGKK-CHWSQXEVSA-N 0 0 332.466 0.379 10 0 ECAERN CCN(CC)S(=O)(=O)CC(=O)N1CCC(Cn2cccn2)CC1 ZINC000175069170 164877757 /nfs/dbraw/zinc/87/77/57/164877757.db2.gz STPWFCIIBRUGLQ-UHFFFAOYSA-N 0 0 342.465 0.793 10 0 ECAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)N1CC(NC(=O)C3CC3)C1)CC2 ZINC000187192307 164988880 /nfs/dbraw/zinc/98/88/80/164988880.db2.gz YLHYUDDZOPFCBN-LBPRGKRZSA-N 0 0 346.435 0.636 10 0 ECAERN C[C@@H]1C(=O)NCCCN1C(=O)C1=NN(Cc2ccccc2)C(=O)CC1 ZINC000188891411 165003179 /nfs/dbraw/zinc/00/31/79/165003179.db2.gz LHIFKUXCEWFRCA-CYBMUJFWSA-N 0 0 342.399 0.902 10 0 ECAERN C[C@@H]1C(=O)NCCCN1CC(=O)Nc1ccccc1N1CCCC1=O ZINC000189270784 165008382 /nfs/dbraw/zinc/00/83/82/165008382.db2.gz LMNLFNWGXWLBNW-CYBMUJFWSA-N 0 0 344.415 0.962 10 0 ECAERN COc1ccccc1N1CC[C@@H](NC(=O)N2CC(NC(C)=O)C2)C1 ZINC000190246815 165019041 /nfs/dbraw/zinc/01/90/41/165019041.db2.gz FJBHTZPFWXGLKR-CYBMUJFWSA-N 0 0 332.404 0.804 10 0 ECAERN Cc1cc(NC(=O)C(=O)N2CCCNC(=O)[C@H]2C)ccc1N(C)C ZINC000190674367 165024178 /nfs/dbraw/zinc/02/41/78/165024178.db2.gz UQGGOJKNESBMLU-GFCCVEGCSA-N 0 0 332.404 0.737 10 0 ECAERN CCn1cc([C@@H]2CN([C@@H](C)c3nc(N)nc(N(C)C)n3)CCO2)cn1 ZINC000190804935 165025897 /nfs/dbraw/zinc/02/58/97/165025897.db2.gz WOSJTIQRCPLXJM-AAEUAGOBSA-N 0 0 346.439 0.871 10 0 ECAERN CC(=O)NC1CN(C(=O)C(=O)Nc2cccc(-c3nc(C)co3)c2)C1 ZINC000191339471 165031113 /nfs/dbraw/zinc/03/11/13/165031113.db2.gz KOCVOOSHTOIBJV-UHFFFAOYSA-N 0 0 342.355 0.935 10 0 ECAERN Cn1nc(Br)cc1C(=O)N[C@H]1CCc2ncnn2C1 ZINC000192104287 165041589 /nfs/dbraw/zinc/04/15/89/165041589.db2.gz LFBVNVUBRVHJNM-ZETCQYMHSA-N 0 0 325.170 0.519 10 0 ECAERN CN1CCO[C@@H](CNC(=O)c2ccc(=O)n(Cc3ccccc3)n2)C1 ZINC000194637934 165067930 /nfs/dbraw/zinc/06/79/30/165067930.db2.gz VQMNMPSKEOMLPG-HNNXBMFYSA-N 0 0 342.399 0.352 10 0 ECAERN CC(C)n1nnnc1CS(=O)(=O)CC(=O)Nc1cccc(F)c1 ZINC000195428337 165081684 /nfs/dbraw/zinc/08/16/84/165081684.db2.gz QAKSOQMVFYPSGL-UHFFFAOYSA-N 0 0 341.368 0.947 10 0 ECAERN CCNC(=O)NC(=O)CN1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000195510771 165083805 /nfs/dbraw/zinc/08/38/05/165083805.db2.gz PKLPGNQRFAVUMV-GFCCVEGCSA-N 0 0 334.424 0.987 10 0 ECAERN NC(=O)[C@@H]1COCCN1C[C@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000245748185 165113852 /nfs/dbraw/zinc/11/38/52/165113852.db2.gz GWJLPOFVTBXFPJ-OLZOCXBDSA-N 0 0 332.322 0.795 10 0 ECAERN NC(=O)[C@@H]1COCCN1C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000246095383 165123194 /nfs/dbraw/zinc/12/31/94/165123194.db2.gz IXOLBNOPWNOQCQ-SKDRFNHKSA-N 0 0 349.214 0.919 10 0 ECAERN COC[C@H](C)n1c(C)cc(C(=O)CN2CCOC[C@H]2C(N)=O)c1C ZINC000246457314 165134970 /nfs/dbraw/zinc/13/49/70/165134970.db2.gz NYUUQCOLYRHHJH-WFASDCNBSA-N 0 0 337.420 0.681 10 0 ECAERN CNC(=O)CNC(=O)NC[C@H](c1cccs1)N1CCO[C@H](C)C1 ZINC000246946797 165147814 /nfs/dbraw/zinc/14/78/14/165147814.db2.gz PBKJXFSKKNKDDA-VXGBXAGGSA-N 0 0 340.449 0.555 10 0 ECAERN CCOCCN1CCN(S(=O)(=O)C[C@H]2CCCCO2)C[C@@H]1C ZINC000246944391 165148502 /nfs/dbraw/zinc/14/85/02/165148502.db2.gz CKBXQVCQRRULEY-LSDHHAIUSA-N 0 0 334.482 0.928 10 0 ECAERN Cn1c2[nH]c(CN3CC[C@]4(O)CCCC[C@H]4C3)nc2c(=O)n(C)c1=O ZINC000247323892 165158291 /nfs/dbraw/zinc/15/82/91/165158291.db2.gz WJXKZQSZEWAKMX-APPDUMDISA-N 0 0 347.419 0.087 10 0 ECAERN CC[C@H](NC(=O)[C@@H]1CNC(=O)C1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000247490288 165162182 /nfs/dbraw/zinc/16/21/82/165162182.db2.gz RNPDQSSDWFYWPP-ULQDDVLXSA-N 0 0 345.443 0.918 10 0 ECAERN CC[C@H](C)[C@H](NC(=O)CN1CC[C@@H](c2cnn(C)c2)C1)C(=O)OC ZINC000247539607 165166517 /nfs/dbraw/zinc/16/65/17/165166517.db2.gz QQDAQLRRDNKABK-ZENOOKHLSA-N 0 0 336.436 0.913 10 0 ECAERN CCNC(=O)C(C)(C)CNC(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000248628555 165182077 /nfs/dbraw/zinc/18/20/77/165182077.db2.gz OPTIRPPZTWNZOQ-OLZOCXBDSA-N 0 0 328.457 0.245 10 0 ECAERN CCn1cc([C@H]2CN([C@H](C)C(=O)NC(=O)NC3CC3)CCO2)cn1 ZINC000248697418 165184651 /nfs/dbraw/zinc/18/46/51/165184651.db2.gz CTZJPGKWZVGRLC-BXUZGUMPSA-N 0 0 335.408 0.653 10 0 ECAERN Cc1cnn([C@@H]2CCCN(S(=O)(=O)[C@H](C)C(=O)N(C)C)C2)c1 ZINC000248749647 165186967 /nfs/dbraw/zinc/18/69/67/165186967.db2.gz BUOFVSVURHQYEI-CHWSQXEVSA-N 0 0 328.438 0.635 10 0 ECAERN C[C@H]1OCCN[C@@H]1C(=O)Nc1cccc(CN2C(=O)CNC2=O)c1 ZINC000261951127 165267140 /nfs/dbraw/zinc/26/71/40/165267140.db2.gz OGYCGASGANBBGH-YGRLFVJLSA-N 0 0 332.360 0.054 10 0 ECAERN CNC(=O)Cn1ccc2ccc(NC(=O)[C@H]3NCCO[C@@H]3C)cc21 ZINC000261992630 165273056 /nfs/dbraw/zinc/27/30/56/165273056.db2.gz SZKVCTXEFPMMJL-BZNIZROVSA-N 0 0 330.388 0.703 10 0 ECAERN COC(=O)c1ncsc1S(=O)(=O)[N-]CC[C@@H]1CCC[NH2+]C1 ZINC000262152852 165299634 /nfs/dbraw/zinc/29/96/34/165299634.db2.gz ZBWXNPGPLLCREF-VIFPVBQESA-N 0 0 333.435 0.598 10 0 ECAERN CCC[C@H]([NH2+][C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1)C(=O)[O-] ZINC000262299002 165325488 /nfs/dbraw/zinc/32/54/88/165325488.db2.gz PSAXQLKUDWLNDI-SKDRFNHKSA-N 0 0 343.405 0.504 10 0 ECAERN O=C([O-])C[N@H+](CC1CC1)C1CC(NC(=O)CN2CCSC2=O)C1 ZINC000262706071 165376084 /nfs/dbraw/zinc/37/60/84/165376084.db2.gz JMKMBUIVKBZXCO-UHFFFAOYSA-N 0 0 341.433 0.599 10 0 ECAERN NC(=O)c1c[nH]c(C(=O)NC2CC([N@@H+](CC(=O)[O-])CC3CC3)C2)c1 ZINC000262722801 165377795 /nfs/dbraw/zinc/37/77/95/165377795.db2.gz QPXGNOLREWNVJH-UHFFFAOYSA-N 0 0 334.376 0.171 10 0 ECAERN CN1C(=O)C[C@@H](C(=O)NCCNC(=O)C2CC2)[C@H]1c1ccc(F)cc1 ZINC000123484870 222286264 /nfs/dbraw/zinc/28/62/64/222286264.db2.gz QTPKSKXBZHFGGC-GDBMZVCRSA-N 0 0 347.390 0.988 10 0 ECAERN CCS(=O)(=O)c1cccc(CC(=O)N[C@H]2CCc3ncnn3C2)c1 ZINC000123553006 222295275 /nfs/dbraw/zinc/29/52/75/222295275.db2.gz XEECEJCVFWUAQN-ZDUSSCGKSA-N 0 0 348.428 0.745 10 0 ECAERN O=C(CN1CCC[C@@H](n2cncn2)C1)NC(=O)NCC(F)(F)F ZINC000171702855 227232140 /nfs/dbraw/zinc/23/21/40/227232140.db2.gz PISXPPIRBKCBQD-SECBINFHSA-N 0 0 334.302 0.303 10 0 ECAERN CC(C)OCCN1CCN(c2cc(N3CCC[C@@H]3CO)ncn2)CC1 ZINC000173919649 263149277 /nfs/dbraw/zinc/14/92/77/263149277.db2.gz MZNCHHFRYHNTLB-MRXNPFEDSA-N 0 0 349.479 0.985 10 0 ECAERN Cc1nccn1C[C@H]1CCCN1C(=O)C(=O)Nc1cnn(C)c1C ZINC000176663914 263153370 /nfs/dbraw/zinc/15/33/70/263153370.db2.gz QFJAOZOBXCWIDP-CYBMUJFWSA-N 0 0 330.392 0.863 10 0 ECAERN Cc1ccc(F)c(NC(=O)C(=O)N2CCN(C[C@@H](C)O)[C@H](C)C2)c1 ZINC000177606363 263153971 /nfs/dbraw/zinc/15/39/71/263153971.db2.gz LDAQQMTXPWPNGF-CHWSQXEVSA-N 0 0 337.395 0.986 10 0 ECAERN Cc1cc(C(=O)N2CCOC[C@@H]2C(N)=O)c(C)n1-c1nccs1 ZINC000180265998 263156561 /nfs/dbraw/zinc/15/65/61/263156561.db2.gz ZMISXMDEBDEIHK-GFCCVEGCSA-N 0 0 334.401 0.877 10 0 ECAERN C[C@@H]1CN(C(=O)CN2CCC[C@H]([N@H+](C)CC(=O)[O-])CC2)C[C@H](C)O1 ZINC000262421399 263177027 /nfs/dbraw/zinc/17/70/27/263177027.db2.gz CROFCUSKMDCMTC-ZNMIVQPWSA-N 0 0 341.452 0.493 10 0 ECAERN COC[C@@H]1C[C@H](OC)CN1C(=O)Cn1c(C)nc2ccccc2c1=O ZINC000284548239 264225790 /nfs/dbraw/zinc/22/57/90/264225790.db2.gz IHDOYQLHDRCFOW-KBPBESRZSA-N 0 0 345.399 0.967 10 0 ECAERN O=C(c1ccoc1Br)N1CC[C@](O)(c2cn[nH]n2)C1 ZINC000284552220 264227269 /nfs/dbraw/zinc/22/72/69/264227269.db2.gz HUIXRDWMYHVMNC-LLVKDONJSA-N 0 0 327.138 0.894 10 0 ECAERN C[C@@H]1C(=O)NCCCN1Cc1nnc2n1c1ccsc1c(=O)n2C ZINC000189325499 437593953 /nfs/dbraw/zinc/59/39/53/437593953.db2.gz IFPLJUQLGVUBBI-SECBINFHSA-N 0 0 346.416 0.353 10 0 ECAERN CCC[C@H]([NH2+]CC(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O)C(=O)[O-] ZINC000262237423 276044499 /nfs/dbraw/zinc/04/44/99/276044499.db2.gz ATDPRINFNVSDQN-LBPRGKRZSA-N 0 0 333.344 0.694 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)c2cccc(-n3ccnn3)c2)CC1 ZINC000132001283 276643628 /nfs/dbraw/zinc/64/36/28/276643628.db2.gz BWQMIEZNMQVODF-INIZCTEOSA-N 0 0 329.404 0.796 10 0 ECAERN CC(=O)NC[C@H]1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1 ZINC000215295104 430648085 /nfs/dbraw/zinc/64/80/85/430648085.db2.gz ZINXMVCVGXRHDV-AWEZNQCLSA-N 0 0 333.344 0.511 10 0 ECAERN CSCCNC(=O)C[C@H]1C(=O)NCCN1CCc1ccccc1 ZINC000015067916 278130618 /nfs/dbraw/zinc/13/06/18/278130618.db2.gz GLOWLPCDUAATPL-HNNXBMFYSA-N 0 0 335.473 0.899 10 0 ECAERN C[C@@H](O)CN1CCN(C(=O)c2ccccc2Cn2cncn2)C[C@H]1C ZINC000173956710 278399903 /nfs/dbraw/zinc/39/99/03/278399903.db2.gz QCPOLCQWNJTFCY-HUUCEWRRSA-N 0 0 343.431 0.854 10 0 ECAERN CC(C)C[C@H](CNC(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O)C(=O)[O-] ZINC000263104002 279153368 /nfs/dbraw/zinc/15/33/68/279153368.db2.gz XLOFNFBEMBBMFC-CHWSQXEVSA-N 0 0 342.440 0.372 10 0 ECAERN O=C(COc1ccc2ccc(=O)oc2c1)N1CC(NC(=O)C2CC2)C1 ZINC000189471849 437602282 /nfs/dbraw/zinc/60/22/82/437602282.db2.gz LUPMUCPAYHQTHC-UHFFFAOYSA-N 0 0 342.351 0.909 10 0 ECAERN Cn1c2ccccc2n(CCC(=O)N2CC(NC(=O)C3CC3)C2)c1=O ZINC000189469721 437602708 /nfs/dbraw/zinc/60/27/08/437602708.db2.gz PAVLFKNFMHUSMZ-UHFFFAOYSA-N 0 0 342.399 0.467 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)N1CCNC(=O)[C@H]1C(C)C)CC2 ZINC000114976619 288635677 /nfs/dbraw/zinc/63/56/77/288635677.db2.gz SEGKJNGKSYFBHD-SMDDNHRTSA-N 0 0 334.424 0.321 10 0 ECAERN CN(C)C(=O)NCCNC(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1ccccc1 ZINC000181040143 288984424 /nfs/dbraw/zinc/98/44/24/288984424.db2.gz WKWBKSGXTFYTHD-GDBMZVCRSA-N 0 0 346.431 0.984 10 0 ECAERN C[C@@H]1CN([C@H](CNS(=O)(=O)N(C)C)c2cccs2)CCO1 ZINC000248369002 297073715 /nfs/dbraw/zinc/07/37/15/297073715.db2.gz VULPOQFZDWVFQI-VXGBXAGGSA-N 0 0 333.479 0.906 10 0 ECAERN CN1CCN(C(=O)Cn2cc(NC(=O)CC[C@@H]3CCOC3)cn2)CC1 ZINC000333087444 297108015 /nfs/dbraw/zinc/10/80/15/297108015.db2.gz YTJGBLBMFZRKCL-CQSZACIVSA-N 0 0 349.435 0.412 10 0 ECAERN CCn1cc([C@H]2OCC[C@@H]2NS(=O)(=O)[C@@H]2CCO[C@@H]2C)cn1 ZINC000333115154 297111077 /nfs/dbraw/zinc/11/10/77/297111077.db2.gz TWTGIZYPWDEWKQ-YXCITZCRSA-N 0 0 329.422 0.830 10 0 ECAERN CC(C)n1nc(C(=O)N[C@H]2CCC(=O)NC2=O)c2ccccc2c1=O ZINC000333331846 297125876 /nfs/dbraw/zinc/12/58/76/297125876.db2.gz YWGOVSUMGSDPCU-LBPRGKRZSA-N 0 0 342.355 0.512 10 0 ECAERN CCn1nccc1N1CCC[C@H](NC(=O)N2C[C@H](C)C[C@@H](O)C2)C1=O ZINC000333571639 297142539 /nfs/dbraw/zinc/14/25/39/297142539.db2.gz ITAJIHYUKUQZJT-MCIONIFRSA-N 0 0 349.435 0.811 10 0 ECAERN CO[C@@H]1COC[C@@H]1N1C[C@@H](C(F)(F)F)[C@H](S(=O)(=O)N(C)C)C1 ZINC000333635380 297145723 /nfs/dbraw/zinc/14/57/23/297145723.db2.gz AZUUENQINNOTNZ-LMLFDSFASA-N 0 0 346.371 0.154 10 0 ECAERN CCn1cc([C@H]2OCC[C@@H]2NC(=O)N2C[C@@H](F)C[C@H]2CO)cn1 ZINC000333708465 297148494 /nfs/dbraw/zinc/14/84/94/297148494.db2.gz LRGXRPVSLLPBNR-XDQVBPFNSA-N 0 0 326.372 0.847 10 0 ECAERN O=C(NCCC1(O)CCC1)N1CCS(=O)(=O)C[C@H]1C1CCC1 ZINC000333919043 297155566 /nfs/dbraw/zinc/15/55/66/297155566.db2.gz OSGJLEZERDNNAI-ZDUSSCGKSA-N 0 0 330.450 0.900 10 0 ECAERN CO[C@H]1C[C@@H](CO)N(C(=O)c2cn(-c3cc(C)cc(F)c3)nn2)C1 ZINC000345493428 298163092 /nfs/dbraw/zinc/16/30/92/298163092.db2.gz RQBFYENIHDWSNR-KBPBESRZSA-N 0 0 334.351 0.937 10 0 ECAERN COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1S(=O)(=O)[C@@H](C)C(=O)N(C)C ZINC000365116435 300421022 /nfs/dbraw/zinc/42/10/22/300421022.db2.gz JXTKOXGVUSIQKU-CYDGBPFRSA-N 0 0 346.449 0.599 10 0 ECAERN CN1C(=O)CO[C@H](C(=O)N2C[C@@H](O)C(C)(C)C2)[C@@H]1c1ccccc1 ZINC000368456347 300666419 /nfs/dbraw/zinc/66/64/19/300666419.db2.gz ZKLSFAKRRLUQMM-KBMXLJTQSA-N 0 0 332.400 0.814 10 0 ECAERN CS(=O)(=O)N1CCc2cc(C(=O)N3C[C@@H](F)C[C@H]3CO)ccc21 ZINC000372557469 301008916 /nfs/dbraw/zinc/00/89/16/301008916.db2.gz MVHXDVSTYFNJQZ-STQMWFEESA-N 0 0 342.392 0.554 10 0 ECAERN CCCCC(=O)N1CSC[C@H]1C(=O)N1CCCNC(=O)[C@H]1C ZINC000373695911 301077285 /nfs/dbraw/zinc/07/72/85/301077285.db2.gz KAOICMKBFUJSDO-NEPJUHHUSA-N 0 0 327.450 0.815 10 0 ECAERN Cc1oncc1CN1C[C@@H](F)C[C@H]1CNS(=O)(=O)N1CCC1 ZINC000375663004 301195601 /nfs/dbraw/zinc/19/56/01/301195601.db2.gz AOKRCJBUBAMTMA-STQMWFEESA-N 0 0 332.401 0.436 10 0 ECAERN CN(CCc1ccccn1)C(=O)CNC(=O)NC[C@H]1CCCC[C@H]1O ZINC000077808324 436253090 /nfs/dbraw/zinc/25/30/90/436253090.db2.gz CXIPQIFUHJIPCI-GDBMZVCRSA-N 0 0 348.447 0.933 10 0 ECAERN C[C@@H](C(=O)NCCCN1CCOCC1)N1C(=O)c2ccccc2C1=O ZINC000034860730 436255403 /nfs/dbraw/zinc/25/54/03/436255403.db2.gz ZWJITLBXXPRXEL-ZDUSSCGKSA-N 0 0 345.399 0.510 10 0 ECAERN C[C@H](CNC(=O)C(=O)Nc1cc(F)ccc1F)N1CCOCC1 ZINC000041600887 436278945 /nfs/dbraw/zinc/27/89/45/436278945.db2.gz FDEPHWGYBPIPOJ-SNVBAGLBSA-N 0 0 327.331 0.740 10 0 ECAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)NC[C@H](C)N1CCOCC1 ZINC000087035892 436395197 /nfs/dbraw/zinc/39/51/97/436395197.db2.gz LAHCOSCIAWFKBX-STQMWFEESA-N 0 0 336.440 0.695 10 0 ECAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@@H](C)CN1CCOCC1 ZINC000087037632 436395420 /nfs/dbraw/zinc/39/54/20/436395420.db2.gz CSOZDFTYCLTZNN-STQMWFEESA-N 0 0 336.440 0.695 10 0 ECAERN COc1ccc(C(=O)NCC(=O)N[C@@H]2CCCn3nc(C)nc32)cc1 ZINC000081813154 436356763 /nfs/dbraw/zinc/35/67/63/436356763.db2.gz JNBXKKDCXZTXBJ-CQSZACIVSA-N 0 0 343.387 0.976 10 0 ECAERN O=C(C[C@@H](O)c1ccc(Cl)cc1)NC[C@H](O)CN1CCOCC1 ZINC000091036192 436439380 /nfs/dbraw/zinc/43/93/80/436439380.db2.gz HPUYVQXCQAKOFY-LSDHHAIUSA-N 0 0 342.823 0.573 10 0 ECAERN CCNS(=O)(=O)[C@H]1CCN(c2cncc(-n3ccnc3C)n2)C1 ZINC000092941378 436479157 /nfs/dbraw/zinc/47/91/57/436479157.db2.gz ZMIYWOBSQNJUGO-LBPRGKRZSA-N 0 0 336.421 0.489 10 0 ECAERN CCNC(=O)NC(=O)[C@@H](C)N1CCC(N(C)c2cccnn2)CC1 ZINC000105806126 436577762 /nfs/dbraw/zinc/57/77/62/436577762.db2.gz YUSSGIUTYYJYGS-GFCCVEGCSA-N 0 0 334.424 0.611 10 0 ECAERN CN1CCO[C@H](CNC(=O)NCCCN2CCCCCC2=O)C1 ZINC000104776989 436563698 /nfs/dbraw/zinc/56/36/98/436563698.db2.gz HQVPZPWBAHYYND-CQSZACIVSA-N 0 0 326.441 0.409 10 0 ECAERN CC(=O)Nc1ccc(CCNC(=O)NC[C@H]2CN(C)CCO2)cc1 ZINC000104797962 436564359 /nfs/dbraw/zinc/56/43/59/436564359.db2.gz UZNHOSCRSTWKSZ-INIZCTEOSA-N 0 0 334.420 0.817 10 0 ECAERN c1nnc2ccc(N3CCN(Cc4cn5cccnc5n4)CC3)nn12 ZINC000105817016 436579830 /nfs/dbraw/zinc/57/98/30/436579830.db2.gz HHQBXJXVPLHFKP-UHFFFAOYSA-N 0 0 335.375 0.489 10 0 ECAERN CCCC(=O)N[C@H]1CCCN(C(=O)NC[C@H]2CN(C)CCO2)C1 ZINC000105279387 436571291 /nfs/dbraw/zinc/57/12/91/436571291.db2.gz IKXMRRRRBQPZBJ-KBPBESRZSA-N 0 0 326.441 0.407 10 0 ECAERN CN1CCO[C@@H](CNC(=O)N[C@H](CO)Cc2c[nH]c3ccccc23)C1 ZINC000105279200 436571305 /nfs/dbraw/zinc/57/13/05/436571305.db2.gz RZNNRAXFDGEMPI-GJZGRUSLSA-N 0 0 346.431 0.701 10 0 ECAERN O=C(CN1CCCCC1=O)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000105817300 436580355 /nfs/dbraw/zinc/58/03/55/436580355.db2.gz BGKUOQZYFFDMNN-KRWDZBQOSA-N 0 0 345.443 0.877 10 0 ECAERN Cc1nn(C)c(C)c1CN1CCN(CC(=O)NC[C@@H]2CCCO2)CC1 ZINC000105916727 436586669 /nfs/dbraw/zinc/58/66/69/436586669.db2.gz YTJUQQRQFYVZGQ-INIZCTEOSA-N 0 0 349.479 0.450 10 0 ECAERN C[C@@H](C(=O)N1CCCC1)N1CCN(C[C@@H](O)COC(C)(C)C)CC1 ZINC000105921898 436587701 /nfs/dbraw/zinc/58/77/01/436587701.db2.gz ZYOZMZWVSMMQFM-JKSUJKDBSA-N 0 0 341.496 0.791 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)CCNC(=O)c2ccsc2)CC1 ZINC000106392727 436593292 /nfs/dbraw/zinc/59/32/92/436593292.db2.gz KIRNAIQVEDPMBP-CQSZACIVSA-N 0 0 339.461 0.783 10 0 ECAERN C[C@H](CNC(=O)NCCn1c2ccccc2oc1=O)N1CCOCC1 ZINC000106529794 436595918 /nfs/dbraw/zinc/59/59/18/436595918.db2.gz FKMOTTVXSQYLFS-CYBMUJFWSA-N 0 0 348.403 0.614 10 0 ECAERN CN(C)c1ncccc1CNC(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000111817092 436632201 /nfs/dbraw/zinc/63/22/01/436632201.db2.gz WOAHEYXHTSQPLS-HNNXBMFYSA-N 0 0 344.419 0.955 10 0 ECAERN Cc1cnn(C[C@H]2CN(C(=O)NCc3ccnc(C)n3)CCO2)c1 ZINC000112107664 436632563 /nfs/dbraw/zinc/63/25/63/436632563.db2.gz QYEHARSFDWSFDC-OAHLLOKOSA-N 0 0 330.392 0.901 10 0 ECAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)[C@H]3CCCN(C(N)=O)C3)CCO2)n1 ZINC000110903568 436629222 /nfs/dbraw/zinc/62/92/22/436629222.db2.gz XAUOQBAWMUQNIE-GJZGRUSLSA-N 0 0 349.435 0.518 10 0 ECAERN Cc1nn(C)c2ncc(S(=O)(=O)N[C@@H]3CCc4ncnn4C3)cc12 ZINC000113298654 436636942 /nfs/dbraw/zinc/63/69/42/436636942.db2.gz DDBFCMRRAIRNRH-SNVBAGLBSA-N 0 0 347.404 0.162 10 0 ECAERN CCc1nc2n(n1)C[C@H](NS(=O)(=O)N1CCCCCC1)CC2 ZINC000114874245 436644649 /nfs/dbraw/zinc/64/46/49/436644649.db2.gz XCMWNEWCJIIXQY-GFCCVEGCSA-N 0 0 327.454 0.866 10 0 ECAERN COc1ccncc1NC(=O)C(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000116587560 436650811 /nfs/dbraw/zinc/65/08/11/436650811.db2.gz WRRNGMXRIHOANM-LLVKDONJSA-N 0 0 329.360 0.778 10 0 ECAERN CCOCCN1CCN(c2ncccc2S(N)(=O)=O)C[C@@H]1CC ZINC000116871311 436654387 /nfs/dbraw/zinc/65/43/87/436654387.db2.gz BUPWMBQVVSZMSS-ZDUSSCGKSA-N 0 0 342.465 0.666 10 0 ECAERN CN(C)C(=O)CNC(=O)N1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000120481457 436689042 /nfs/dbraw/zinc/68/90/42/436689042.db2.gz TYSBNLGIFVVPEC-GXFFZTMASA-N 0 0 327.331 0.870 10 0 ECAERN O=C(NC[C@H](O)CN1CCOCC1)Nc1cnn(-c2ccccc2)c1 ZINC000120662729 436695473 /nfs/dbraw/zinc/69/54/73/436695473.db2.gz SJKNONBNOVKGTJ-INIZCTEOSA-N 0 0 345.403 0.687 10 0 ECAERN CNC(=O)Cn1cc(NC(=O)[C@H](NC(=O)CC(C)C)C(C)C)cn1 ZINC000194360043 436664517 /nfs/dbraw/zinc/66/45/17/436664517.db2.gz UDEWRGXIVSFPJF-OAHLLOKOSA-N 0 0 337.424 0.755 10 0 ECAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)Cn1ccc(C)cc1=O ZINC000194847133 436672296 /nfs/dbraw/zinc/67/22/96/436672296.db2.gz XZHXJGIUCNXBED-LBPRGKRZSA-N 0 0 331.376 0.546 10 0 ECAERN C[C@@H](CNC(=O)NC[C@]1(O)CCc2ccccc21)N1CCOCC1 ZINC000121634518 436720573 /nfs/dbraw/zinc/72/05/73/436720573.db2.gz ZYZPQBUKQHRUPA-KBXCAEBGSA-N 0 0 333.432 0.840 10 0 ECAERN O=C(CN1CC[C@H](Oc2cccnc2)C1)NCC(=O)N1CCCC1 ZINC000152566988 436735155 /nfs/dbraw/zinc/73/51/55/436735155.db2.gz XQJFJKJFAQEWOM-HNNXBMFYSA-N 0 0 332.404 0.273 10 0 ECAERN CCOCCN1CCN(C(=O)CS(=O)(=O)C(C)(C)C)C[C@H]1C ZINC000153079646 436746727 /nfs/dbraw/zinc/74/67/27/436746727.db2.gz GYOFJRCFHFODJT-CYBMUJFWSA-N 0 0 334.482 0.769 10 0 ECAERN C[C@H]1CCCN(c2cc(NC[C@H](O)CN3CCOCC3)ncn2)C1 ZINC000153024685 436746931 /nfs/dbraw/zinc/74/69/31/436746931.db2.gz FARFWNBBQNLTJP-GJZGRUSLSA-N 0 0 335.452 0.818 10 0 ECAERN Cn1c2cccc(C(=O)N3CC[C@H](N4CCOCC4)C3)c2oc1=O ZINC000124427753 436750255 /nfs/dbraw/zinc/75/02/55/436750255.db2.gz ISGHASZFGYMVQB-LBPRGKRZSA-N 0 0 331.372 0.678 10 0 ECAERN Cn1nccc1C1CCN(C(=O)CCC(=O)N2CCOCC2)CC1 ZINC000124557045 436753023 /nfs/dbraw/zinc/75/30/23/436753023.db2.gz CMMXLCKYOJQLJQ-UHFFFAOYSA-N 0 0 334.420 0.765 10 0 ECAERN Cc1nnc([C@@H]2CN(S(=O)(=O)c3cn(C(C)C)cn3)CCO2)[nH]1 ZINC000153635399 436759892 /nfs/dbraw/zinc/75/98/92/436759892.db2.gz ZMXAVQMQXZYIBI-NSHDSACASA-N 0 0 340.409 0.653 10 0 ECAERN CC[C@H](Oc1ccccc1F)C(=O)NC[C@H](O)CN1CCOCC1 ZINC000128112494 436811563 /nfs/dbraw/zinc/81/15/63/436811563.db2.gz MINZRTWAEONYGP-ZFWWWQNUSA-N 0 0 340.395 0.792 10 0 ECAERN CCO[C@H]1C[C@@H](N(C)C(=O)Cn2ccc(=O)[nH]c2=O)C12CCCC2 ZINC000156222359 436812168 /nfs/dbraw/zinc/81/21/68/436812168.db2.gz WWRDVZUWGMLUFP-OLZOCXBDSA-N 0 0 335.404 0.733 10 0 ECAERN C[C@H](Oc1ccccc1Cl)C(=O)NC[C@H](O)CN1CCOCC1 ZINC000128982026 436822627 /nfs/dbraw/zinc/82/26/27/436822627.db2.gz ZKNOOOKPXFQHOO-STQMWFEESA-N 0 0 342.823 0.917 10 0 ECAERN C[C@H](O)CN1CCN(C(=O)c2ccccc2Cn2cncn2)C[C@@H]1C ZINC000246910259 436786791 /nfs/dbraw/zinc/78/67/91/436786791.db2.gz QCPOLCQWNJTFCY-GJZGRUSLSA-N 0 0 343.431 0.854 10 0 ECAERN CC(=O)N1CCOC[C@H]1C(=O)NCc1nc2cccc(C)c2n1C ZINC000155419888 436794375 /nfs/dbraw/zinc/79/43/75/436794375.db2.gz RCBMOTWZJHBBFN-AWEZNQCLSA-N 0 0 330.388 0.745 10 0 ECAERN O=C(Cc1ccccc1)NCC(=O)N1CCC[C@@H](Cn2cncn2)C1 ZINC000127353417 436800801 /nfs/dbraw/zinc/80/08/01/436800801.db2.gz IZHAXRAIVOEIGY-MRXNPFEDSA-N 0 0 341.415 0.876 10 0 ECAERN O=C(NC[C@]1(O)CCc2ccccc21)N[C@@H]1CCc2ncnn2C1 ZINC000127685165 436805746 /nfs/dbraw/zinc/80/57/46/436805746.db2.gz WEADQAZYADQTRO-CXAGYDPISA-N 0 0 327.388 0.726 10 0 ECAERN CCOCCN1CCN(C(=O)Cn2c(C)cc(O)cc2=O)C[C@@H]1C ZINC000131060583 436846388 /nfs/dbraw/zinc/84/63/88/436846388.db2.gz JZKLXDPFWBMOJI-AWEZNQCLSA-N 0 0 337.420 0.432 10 0 ECAERN Cc1nn(C(F)F)c(C)c1CC(=O)N1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000157461603 436827935 /nfs/dbraw/zinc/82/79/35/436827935.db2.gz LXSZAQZIOKBGKX-HQJQHLMTSA-N 0 0 330.335 0.539 10 0 ECAERN CC(C)n1nnnc1CS(=O)(=O)CC(=O)N1CCC[C@@H](C)C1 ZINC000157560855 436829287 /nfs/dbraw/zinc/82/92/87/436829287.db2.gz SPMRABXAGRGQLK-LLVKDONJSA-N 0 0 329.426 0.427 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)Cn2cc(-c3ccccc3)nn2)CC1 ZINC000135472244 436917550 /nfs/dbraw/zinc/91/75/50/436917550.db2.gz VNLNVWXNWIJJCV-MRXNPFEDSA-N 0 0 343.431 0.860 10 0 ECAERN O=C(C[C@H]1COCCN1C[C@H](O)CN1CCCC1=O)c1ccccc1 ZINC000134183983 436891410 /nfs/dbraw/zinc/89/14/10/436891410.db2.gz JIDBYPQWZXOQSV-IRXDYDNUSA-N 0 0 346.427 0.944 10 0 ECAERN Cc1cccc(C)c1NC(=O)CNC(=O)NC[C@@H]1CN(C)CCO1 ZINC000170924716 436962815 /nfs/dbraw/zinc/96/28/15/436962815.db2.gz JQAZAHXSRBYJIK-CQSZACIVSA-N 0 0 334.420 0.872 10 0 ECAERN C[C@@H](NC(=O)NC[C@H]1CN(C)CCO1)C(=O)NCc1ccccc1 ZINC000170924152 436963200 /nfs/dbraw/zinc/96/32/00/436963200.db2.gz AHFFXKROBQYNGV-HIFRSBDPSA-N 0 0 334.420 0.321 10 0 ECAERN CCCC(=O)N[C@@H]1CCCN(C(=O)N[C@H](C)CN2CCOCC2)C1 ZINC000171009181 436963843 /nfs/dbraw/zinc/96/38/43/436963843.db2.gz NEMDKZJNRTXQJL-HUUCEWRRSA-N 0 0 340.468 0.797 10 0 ECAERN CCOC(=O)C[C@@H]1CNC(=O)CN1S(=O)(=O)c1ccc(C)cc1 ZINC000165123700 436935734 /nfs/dbraw/zinc/93/57/34/436935734.db2.gz VRARRAGGGAFMCN-GFCCVEGCSA-N 0 0 340.401 0.437 10 0 ECAERN Cc1cc2c[nH]nc2c(C(=O)N2CCO[C@@H](C[N@@H+](C)CC(=O)[O-])C2)c1 ZINC000262961143 436946278 /nfs/dbraw/zinc/94/62/78/436946278.db2.gz QEAUOYNXUBRHJY-ZDUSSCGKSA-N 0 0 346.387 0.729 10 0 ECAERN Cc1ccc(S(N)(=O)=O)cc1C(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000171578740 436981705 /nfs/dbraw/zinc/98/17/05/436981705.db2.gz HLJDYCIVJLKPRM-GFCCVEGCSA-N 0 0 349.416 0.711 10 0 ECAERN CN1CCO[C@@H](CNC(=O)N2CCC(Nc3cccnn3)CC2)C1 ZINC000172622114 437021737 /nfs/dbraw/zinc/02/17/37/437021737.db2.gz NQZZQGYEKQGUOD-AWEZNQCLSA-N 0 0 334.424 0.393 10 0 ECAERN Cc1ccc(S(N)(=O)=O)cc1C(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000172630698 437024446 /nfs/dbraw/zinc/02/44/46/437024446.db2.gz LGNPWXJUYLKZCY-FZMZJTMJSA-N 0 0 326.418 0.923 10 0 ECAERN CC(C)(C)C(=O)NCCCC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000172747934 437027335 /nfs/dbraw/zinc/02/73/35/437027335.db2.gz LLNOHAYECRGADQ-AWEZNQCLSA-N 0 0 325.453 0.862 10 0 ECAERN CC(C)(C)C(=O)NCCCC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000172747939 437027870 /nfs/dbraw/zinc/02/78/70/437027870.db2.gz LLNOHAYECRGADQ-CQSZACIVSA-N 0 0 325.453 0.862 10 0 ECAERN C[C@@H](C(=O)NC[C@H]1CN(C)CCO1)n1nnc(-c2ccccc2)n1 ZINC000172922477 437032855 /nfs/dbraw/zinc/03/28/55/437032855.db2.gz LCXRMKZRYAEDEU-JSGCOSHPSA-N 0 0 330.392 0.348 10 0 ECAERN Cc1nc(C[C@H]2CCCN(Cc3nc(N)nc(N(C)C)n3)C2)no1 ZINC000171653915 436983065 /nfs/dbraw/zinc/98/30/65/436983065.db2.gz PORFQBMNCSVWFO-LLVKDONJSA-N 0 0 332.412 0.666 10 0 ECAERN C[C@@H]1NC(=O)CC[C@@H]1NC(=O)CCn1c2ccccc2n(C)c1=O ZINC000281684544 436990374 /nfs/dbraw/zinc/99/03/74/436990374.db2.gz DKEXALBZNAUYAF-RYUDHWBXSA-N 0 0 330.388 0.513 10 0 ECAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)NCCNC(=O)C3CC3)C2)n1 ZINC000172116007 436998384 /nfs/dbraw/zinc/99/83/84/436998384.db2.gz NIYIYCNMBKGOQX-CQSZACIVSA-N 0 0 348.451 0.843 10 0 ECAERN CCC[C@H](O)CNC(=O)NC[C@@H]1CCCN1c1cc(NC)ncn1 ZINC000173425549 437049738 /nfs/dbraw/zinc/04/97/38/437049738.db2.gz YEKWIIQYBFRPSS-STQMWFEESA-N 0 0 336.440 0.947 10 0 ECAERN CCc1nnc([C@H]2CN(C(=O)Cc3c(C)nn(C)c3C)CCO2)[nH]1 ZINC000173562913 437056145 /nfs/dbraw/zinc/05/61/45/437056145.db2.gz IGWDVJRXPZILGL-CYBMUJFWSA-N 0 0 332.408 0.860 10 0 ECAERN Cc1cc(N2CCC[C@@H](NC(=O)N(CCO)C3CC3)C2=O)n(C)n1 ZINC000173570495 437057291 /nfs/dbraw/zinc/05/72/91/437057291.db2.gz BLWDNHYOAJTACT-CYBMUJFWSA-N 0 0 335.408 0.390 10 0 ECAERN Cc1cnn([C@H]2CCCN(C(=O)C(C)(C)NS(C)(=O)=O)C2)c1 ZINC000173573324 437058878 /nfs/dbraw/zinc/05/88/78/437058878.db2.gz JWVTWYZXTQZHSH-LBPRGKRZSA-N 0 0 328.438 0.683 10 0 ECAERN Cc1nnc([C@@H]2CN(S(=O)(=O)c3ccc(Cl)nc3)CCO2)[nH]1 ZINC000173733644 437062765 /nfs/dbraw/zinc/06/27/65/437062765.db2.gz YPCRAYDVOOYPNI-JTQLQIEISA-N 0 0 343.796 0.924 10 0 ECAERN CC1(C)CN(CCNC(=O)N2CC[C@H](N3CCOCC3)C2)CCO1 ZINC000173907518 437068995 /nfs/dbraw/zinc/06/89/95/437068995.db2.gz IGEXPOMRVOJWAV-HNNXBMFYSA-N 0 0 340.468 0.213 10 0 ECAERN O=C1C[C@H](N2CC[C@H](N3CCOCC3)C2)C(=O)N1c1ccc(F)cc1 ZINC000174006216 437072409 /nfs/dbraw/zinc/07/24/09/437072409.db2.gz ZGGFRKWWLKRDMG-HOTGVXAUSA-N 0 0 347.390 0.864 10 0 ECAERN Cc1cc(C)n(CC(=O)N2CC[C@](O)(c3cn(C(C)C)nn3)C2)n1 ZINC000284762602 437072498 /nfs/dbraw/zinc/07/24/98/437072498.db2.gz JBQAFUWMXSZJGD-MRXNPFEDSA-N 0 0 332.408 0.792 10 0 ECAERN CCCn1cc(CN2CCCN(C(=O)[C@H]3CN(C)CCO3)CC2)cn1 ZINC000174655608 437085401 /nfs/dbraw/zinc/08/54/01/437085401.db2.gz WHUYALBRNVPGMF-QGZVFWFLSA-N 0 0 349.479 0.658 10 0 ECAERN COCCCS(=O)(=O)NCCN1CCC[C@@H]1c1cnn(C)c1 ZINC000175175493 437097853 /nfs/dbraw/zinc/09/78/53/437097853.db2.gz HCQUVBCWELCLGX-CQSZACIVSA-N 0 0 330.454 0.513 10 0 ECAERN CCN(CC)S(=O)(=O)CC(=O)N1CCC(c2ccnn2C)CC1 ZINC000175064841 437094787 /nfs/dbraw/zinc/09/47/87/437094787.db2.gz SIQNXNGGPWRVRO-UHFFFAOYSA-N 0 0 342.465 0.798 10 0 ECAERN C[C@@H](CNC(=O)NCCCNC(=O)C1CCC1)N1CCOCC1 ZINC000175603438 437108610 /nfs/dbraw/zinc/10/86/10/437108610.db2.gz FIVCPKRCWJDVCP-ZDUSSCGKSA-N 0 0 326.441 0.313 10 0 ECAERN C[C@@H]1CN(CCN(C)c2cc(N3CCC[C@@H]3CO)ncn2)C[C@H](C)O1 ZINC000302866813 437151142 /nfs/dbraw/zinc/15/11/42/437151142.db2.gz VSQMZYAPXLGJRC-OWCLPIDISA-N 0 0 349.479 0.983 10 0 ECAERN C[C@@H]1CN([C@@H](CNC(=O)CCNC(N)=O)c2cccs2)CCO1 ZINC000176589797 437151371 /nfs/dbraw/zinc/15/13/71/437151371.db2.gz QZSIIPJYUCWMBG-NEPJUHHUSA-N 0 0 340.449 0.685 10 0 ECAERN COCCN1CCN(C(=O)CC2(CS(C)(=O)=O)CC2)C[C@@H]1C ZINC000176859988 437159518 /nfs/dbraw/zinc/15/95/18/437159518.db2.gz PFOXGKLJLRAKRA-ZDUSSCGKSA-N 0 0 332.466 0.380 10 0 ECAERN CN1CCO[C@@H]2CN(c3cnn(C)c(=O)c3Br)C[C@H]21 ZINC000301644128 437129254 /nfs/dbraw/zinc/12/92/54/437129254.db2.gz HHLMNXIFUWCGFQ-NXEZZACHSA-N 0 0 329.198 0.062 10 0 ECAERN CCCc1nnc(N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)s1 ZINC000301736313 437129755 /nfs/dbraw/zinc/12/97/55/437129755.db2.gz RHVISMNYSJBNPC-LLVKDONJSA-N 0 0 330.479 0.800 10 0 ECAERN CS(=O)(=O)N1CCC(Nc2nccn3c2nnc3C2CC2)CC1 ZINC000302214900 437140351 /nfs/dbraw/zinc/14/03/51/437140351.db2.gz OIMULRNWSIGZDT-UHFFFAOYSA-N 0 0 336.421 0.838 10 0 ECAERN CC(C)NC(=O)CN1CCN(c2nccn3c2nnc3C2CC2)CC1 ZINC000302208445 437140571 /nfs/dbraw/zinc/14/05/71/437140571.db2.gz LGIOCYJWLFIPGX-UHFFFAOYSA-N 0 0 343.435 0.648 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)C(=O)Nc1ccc(Cl)nc1)CC2 ZINC000177641540 437194561 /nfs/dbraw/zinc/19/45/61/437194561.db2.gz CEJQHDAWMHMPPX-JTQLQIEISA-N 0 0 348.794 0.959 10 0 ECAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000177702882 437195880 /nfs/dbraw/zinc/19/58/80/437195880.db2.gz XSYREAXDCFSOGB-NSHDSACASA-N 0 0 342.359 0.859 10 0 ECAERN CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000177021844 437166305 /nfs/dbraw/zinc/16/63/05/437166305.db2.gz PFDLQXKNSDAWRS-LLVKDONJSA-N 0 0 331.376 0.168 10 0 ECAERN CCCN([C@@H]1CCCN(c2cc(C)nn2C)C1=O)S(C)(=O)=O ZINC000328611812 437239858 /nfs/dbraw/zinc/23/98/58/437239858.db2.gz MSECOKJDLHBBKR-GFCCVEGCSA-N 0 0 328.438 0.896 10 0 ECAERN CCN1C[C@H](C(=O)N2CCN(CC)[C@@H](c3nccn3C)C2)CC1=O ZINC000328634595 437243118 /nfs/dbraw/zinc/24/31/18/437243118.db2.gz UFVSOZVJZVXQIS-ZIAGYGMSSA-N 0 0 333.436 0.494 10 0 ECAERN CCN(Cc1nnc(C)o1)[C@@H]1CN(Cc2c(C)n[nH]c2C)C[C@H]1O ZINC000328648987 437245711 /nfs/dbraw/zinc/24/57/11/437245711.db2.gz UVNYMYJQXJEBIW-HUUCEWRRSA-N 0 0 334.424 0.785 10 0 ECAERN O=C1[C@H](N2CCO[C@H](Cn3cccn3)C2)CCN1C1CCOCC1 ZINC000328667659 437248640 /nfs/dbraw/zinc/24/86/40/437248640.db2.gz KYVWHZHZLAKTKB-JKSUJKDBSA-N 0 0 334.420 0.364 10 0 ECAERN COC(=O)CCN1CCN(C(=O)NCCn2cc(C)cn2)[C@H](C)C1 ZINC000180984199 437308448 /nfs/dbraw/zinc/30/84/48/437308448.db2.gz RMKZGAGJEPAOHX-CQSZACIVSA-N 0 0 337.424 0.470 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)N(C)CCOCCCOC)CC2 ZINC000179668039 437272225 /nfs/dbraw/zinc/27/22/25/437272225.db2.gz HCSXLOWZGJFZDY-ZDUSSCGKSA-N 0 0 339.440 0.850 10 0 ECAERN CCc1nnc([C@H]2CN(C(=O)C(=O)Nc3ccsc3)CCO2)[nH]1 ZINC000180240898 437283838 /nfs/dbraw/zinc/28/38/38/437283838.db2.gz UCSVELNWQJIYPK-SNVBAGLBSA-N 0 0 335.389 0.967 10 0 ECAERN CCS(=O)(=O)C[C@@H](C)N[C@@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000182348603 437347100 /nfs/dbraw/zinc/34/71/00/437347100.db2.gz RVIJCMLRLBTPAF-CHWSQXEVSA-N 0 0 342.465 0.637 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)NC[C@H](c2ccco2)N(C)C)CC1 ZINC000184703011 437408065 /nfs/dbraw/zinc/40/80/65/437408065.db2.gz KJXFBRLHZOEHJN-HUUCEWRRSA-N 0 0 338.452 0.980 10 0 ECAERN C[C@@H](c1nccs1)N1CCN(C[C@H](O)CN2CCCC2=O)CC1 ZINC000184620454 437408349 /nfs/dbraw/zinc/40/83/49/437408349.db2.gz RGMAPQXHLMQUFJ-KBPBESRZSA-N 0 0 338.477 0.805 10 0 ECAERN Cc1nccc(N2CCN(C(=O)N[C@@H]3CCc4ncnn4C3)CC2)n1 ZINC000185005118 437422596 /nfs/dbraw/zinc/42/25/96/437422596.db2.gz JLZQGEIVSYRXJH-CYBMUJFWSA-N 0 0 342.407 0.223 10 0 ECAERN COCC(=O)NC1CN(C[C@H](O)COc2cc(C)ccc2Cl)C1 ZINC000185089004 437425517 /nfs/dbraw/zinc/42/55/17/437425517.db2.gz UCBLAQQLUFPZPK-ZDUSSCGKSA-N 0 0 342.823 0.835 10 0 ECAERN COc1ccc(Cl)cc1CNC(=O)CN1C[C@H](O)C[C@@H]1CO ZINC000185165633 437431026 /nfs/dbraw/zinc/43/10/26/437431026.db2.gz AACOAZDRMXCTGV-CHWSQXEVSA-N 0 0 328.796 0.392 10 0 ECAERN CCc1c(C(=O)N2CC(NC(=O)COC)C2)cnn1-c1ccccn1 ZINC000185300842 437434855 /nfs/dbraw/zinc/43/48/55/437434855.db2.gz IWTRYVGRXGMRDX-UHFFFAOYSA-N 0 0 343.387 0.417 10 0 ECAERN CCc1nnc([C@H]2CN(S(=O)(=O)c3ccc(N)cc3)CCO2)[nH]1 ZINC000186095006 437460895 /nfs/dbraw/zinc/46/08/95/437460895.db2.gz CUFFACYLNGTRDL-GFCCVEGCSA-N 0 0 337.405 0.712 10 0 ECAERN CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@H]([NH+](C)C)C2)cc1 ZINC000186295872 437467535 /nfs/dbraw/zinc/46/75/35/437467535.db2.gz BTEZHROKPDTHIJ-AWEZNQCLSA-N 0 0 339.461 0.690 10 0 ECAERN C[S@@](=O)c1ccc(CNC(=O)N2CC(NC(=O)C3CC3)C2)cc1 ZINC000187469653 437505538 /nfs/dbraw/zinc/50/55/38/437505538.db2.gz CDFWIGHNUJUJCV-HSZRJFAPSA-N 0 0 335.429 0.844 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)N1CCC[C@]13CCOC3=O)CC2 ZINC000187115305 437490331 /nfs/dbraw/zinc/49/03/31/437490331.db2.gz VZVSXOASCRDDFV-BDJLRTHQSA-N 0 0 333.392 0.646 10 0 ECAERN O=C(CNC(=O)c1ccc(F)cc1)N1CC(NC(=O)C2CCC2)C1 ZINC000188519502 437554876 /nfs/dbraw/zinc/55/48/76/437554876.db2.gz XDLARLIXNOUYGJ-UHFFFAOYSA-N 0 0 333.363 0.683 10 0 ECAERN Cn1ccc2cccc(NC(=O)C(=O)N3CC(NC(=O)C4CC4)C3)c21 ZINC000190623681 437632730 /nfs/dbraw/zinc/63/27/30/437632730.db2.gz CCFUEPSDMQHXOJ-UHFFFAOYSA-N 0 0 340.383 0.854 10 0 ECAERN CCn1cc([C@H]2CN(CC(=O)NCC(=O)N3CCCC3)CCO2)cn1 ZINC000190747495 437635495 /nfs/dbraw/zinc/63/54/95/437635495.db2.gz QGIDDINEEALWCK-OAHLLOKOSA-N 0 0 349.435 0.015 10 0 ECAERN C[C@@H](c1nnnn1C1CC1)N1CCN(c2ccc3nncn3n2)CC1 ZINC000191999252 437659235 /nfs/dbraw/zinc/65/92/35/437659235.db2.gz WYXODNFUTFNZJI-NSHDSACASA-N 0 0 340.395 0.329 10 0 ECAERN Cc1ccnc(-n2nccc2NC(=O)C(=O)N[C@H]2CCCC[C@H]2O)c1 ZINC000192041951 437665509 /nfs/dbraw/zinc/66/55/09/437665509.db2.gz QVPLBSNIPLLOEW-QWHCGFSZSA-N 0 0 343.387 0.934 10 0 ECAERN CCc1nc(NC(=O)C(=O)NC[C@@H](C)N2CCOCC2)sc1C ZINC000192561736 437683700 /nfs/dbraw/zinc/68/37/00/437683700.db2.gz FSNMNOTVFUIZQI-SNVBAGLBSA-N 0 0 340.449 0.789 10 0 ECAERN CCC(=O)N1CSC[C@@H]1C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000374156528 438193490 /nfs/dbraw/zinc/19/34/90/438193490.db2.gz HCSHISMRFJKYDP-QWHCGFSZSA-N 0 0 327.450 0.231 10 0 ECAERN CC(=O)N[C@@H]1CCCN(C(=O)c2nn(C)cc2Br)C1 ZINC000432663397 438207168 /nfs/dbraw/zinc/20/71/68/438207168.db2.gz HXOROJGUBFVIHJ-SECBINFHSA-N 0 0 329.198 0.923 10 0 ECAERN COC(=O)[C@H]1CCC[C@H]1S(=O)(=O)NC1CCN(C(C)=O)CC1 ZINC000389422140 438427481 /nfs/dbraw/zinc/42/74/81/438427481.db2.gz PVNXTEGGAJOKSW-QWHCGFSZSA-N 0 0 332.422 0.258 10 0 ECAERN C[C@@H](O)CNS(=O)(=O)C[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000521396661 439117080 /nfs/dbraw/zinc/11/70/80/439117080.db2.gz CDBCDKSZIYJEIW-KGLIPLIRSA-N 0 0 340.445 0.839 10 0 ECAERN O=C(N[C@@H]1CCNC1=O)c1ccccc1I ZINC000597856765 439195741 /nfs/dbraw/zinc/19/57/41/439195741.db2.gz PYJSNGUOACGARZ-SECBINFHSA-N 0 0 330.125 0.910 10 0 ECAERN Cc1cc(S(=O)(=O)N2CCC[C@](O)(c3cn[nH]n3)C2)ccc1F ZINC000583616426 439486630 /nfs/dbraw/zinc/48/66/30/439486630.db2.gz PRXIIRMUEKXLEU-CQSZACIVSA-N 0 0 340.380 0.925 10 0 ECAERN Cn1c(Cl)cnc1CN1CCC([C@H](O)C(=O)NC2CC2)CC1 ZINC000583623173 439489522 /nfs/dbraw/zinc/48/95/22/439489522.db2.gz VYUAMNGGIBQUGI-AWEZNQCLSA-N 0 0 326.828 0.925 10 0 ECAERN CC(=O)CO[C@@H]1NC(C)=C(I)C=C1C(N)=O ZINC000584632097 439605260 /nfs/dbraw/zinc/60/52/60/439605260.db2.gz CIQIJUHUZVJHAF-JTQLQIEISA-N 0 0 336.129 0.600 10 0 ECAERN COc1cc(N)c(CCCN2CCS(=O)(=O)CC2)c(OC)c1 ZINC000584643414 439605675 /nfs/dbraw/zinc/60/56/75/439605675.db2.gz ICKZZPOEAJJCOX-UHFFFAOYSA-N 0 0 328.434 0.949 10 0 ECAERN CCn1cnnc1NC(=O)[C@H]1CCC(=O)N(CC)[C@@H]1c1nccn1C ZINC000614582314 439781449 /nfs/dbraw/zinc/78/14/49/439781449.db2.gz DJJJINPFIQLIIQ-AAEUAGOBSA-N 0 0 345.407 0.970 10 0 ECAERN NC(=O)c1ccccc1[C@H]1CN(S(N)(=O)=O)c2ccccc2N1 ZINC000616691545 439820796 /nfs/dbraw/zinc/82/07/96/439820796.db2.gz LCEHMNCLPVFUTL-CYBMUJFWSA-N 0 0 332.385 0.962 10 0 ECAERN CN(C)C(=O)C[C@@]1(O)CCCN(c2nnnn2-c2ccccc2)C1 ZINC000643720233 440281801 /nfs/dbraw/zinc/28/18/01/440281801.db2.gz YZFNCQDWXPQKPN-INIZCTEOSA-N 0 0 330.392 0.472 10 0 ECAERN COC[C@]1(C(=O)[O-])CCC[N@@H+]1CCN1C(=O)c2ccccc2C1=O ZINC000643880559 440371391 /nfs/dbraw/zinc/37/13/91/440371391.db2.gz SAUGHZHIYNBXDF-KRWDZBQOSA-N 0 0 332.356 0.848 10 0 ECAERN CNC(=O)[C@@]1(COC)CCCN1C(=O)c1cnn(-c2ccncc2)c1 ZINC000643946823 440387814 /nfs/dbraw/zinc/38/78/14/440387814.db2.gz LHRFARRXYZDKTN-KRWDZBQOSA-N 0 0 343.387 0.635 10 0 ECAERN CCOc1ccccc1CNC(=O)C[C@@H]1CS(=O)(=O)CCN1C ZINC000644314792 440523923 /nfs/dbraw/zinc/52/39/23/440523923.db2.gz OKUWAOJNPJDTBQ-CQSZACIVSA-N 0 0 340.445 0.820 10 0 ECAERN Cc1noc([C@H]2CN(C(=O)c3cnc(N(C)C)cn3)C[C@@H](C)O2)n1 ZINC000628858312 440563065 /nfs/dbraw/zinc/56/30/65/440563065.db2.gz RLHFXLHJYKMULO-BXKDBHETSA-N 0 0 332.364 0.836 10 0 ECAERN O=C(CN1CCCC[C@H](O)C1=O)NC1(c2ccc3c(c2)OCO3)CC1 ZINC000644400020 440569105 /nfs/dbraw/zinc/56/91/05/440569105.db2.gz CJCJXICOKVAOFM-ZDUSSCGKSA-N 0 0 346.383 0.894 10 0 ECAERN CN(C[C@@H]1CN(C)CCO1)C(=O)c1c(Br)cnn1C ZINC000633918504 440573837 /nfs/dbraw/zinc/57/38/37/440573837.db2.gz SSFYALZKIUTKNC-VIFPVBQESA-N 0 0 331.214 0.585 10 0 ECAERN Cc1cc(NC(=O)CN2CCCC[C@H](O)C2=O)nn1CC(F)(F)F ZINC000644500337 440624698 /nfs/dbraw/zinc/62/46/98/440624698.db2.gz MANHVJRGMSRLDP-JTQLQIEISA-N 0 0 348.325 1.066 10 0 ECAERN CO[C@@H]1CN(S(=O)(=O)c2cccc(F)c2F)C[C@H]1c1cn[nH]n1 ZINC000657144591 440972691 /nfs/dbraw/zinc/97/26/91/440972691.db2.gz NPBCDELHHXWMIK-GZMMTYOYSA-N 0 0 344.343 0.886 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)NCc2cccc(N(C)C)n2)CC1 ZINC000182048899 320529219 /nfs/dbraw/zinc/52/92/19/320529219.db2.gz MJJUXXXAKRQDNH-HNNXBMFYSA-N 0 0 335.452 0.746 10 0 ECAERN C[C@H]1C(=O)N(C)CCN1S(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C ZINC000249447381 320546415 /nfs/dbraw/zinc/54/64/15/320546415.db2.gz LKKZVLCQPIMFCS-MKBNYLNASA-N 0 0 342.461 0.874 10 0 ECAERN CS(=O)(=O)c1ccc2c(c1)CCN(C(=O)N1CCOCC1)CC2 ZINC000328733884 320729648 /nfs/dbraw/zinc/72/96/48/320729648.db2.gz IBELVSCOFNMJQZ-UHFFFAOYSA-N 0 0 338.429 0.943 10 0 ECAERN C[C@@H]1CN(c2ccccn2)C[C@H]1C(=O)N1CCN2C(=O)NC[C@H]2C1 ZINC000328917862 320741295 /nfs/dbraw/zinc/74/12/95/320741295.db2.gz AAJCGRVUXBYDDA-HZSPNIEDSA-N 0 0 329.404 0.594 10 0 ECAERN C[C@H]1OCC(=O)N(Cc2ccccc2)[C@@H]1C(=O)N1CC(O)(C2CC2)C1 ZINC000329061993 320750977 /nfs/dbraw/zinc/75/09/77/320750977.db2.gz VAFOKALEGSBWQG-DYVFJYSZSA-N 0 0 344.411 0.786 10 0 ECAERN NC(=O)[C@@H]1CCCN(C(=O)CN2C(=O)N[C@@]3(CCSC3)C2=O)C1 ZINC000329323715 320766383 /nfs/dbraw/zinc/76/63/83/320766383.db2.gz HQLRNRQFIWPZJE-YMTOWFKASA-N 0 0 340.405 0.392 10 0 ECAERN O=C(c1cnn2ccncc12)N1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000329351188 320767633 /nfs/dbraw/zinc/76/76/33/320767633.db2.gz UARLSIQJUUREOT-LBPRGKRZSA-N 0 0 349.416 0.369 10 0 ECAERN CCc1nc(CN2CCN(S(=O)(=O)NC3CCCC3)CC2)no1 ZINC000329462745 320773708 /nfs/dbraw/zinc/77/37/08/320773708.db2.gz TUWSKPMDRZAZOU-UHFFFAOYSA-N 0 0 343.453 0.527 10 0 ECAERN C[C@H]1COCCN1c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCO1 ZINC000329658369 320783663 /nfs/dbraw/zinc/78/36/63/320783663.db2.gz NJUJRGOSPJKFSL-UONOGXRCSA-N 0 0 349.435 0.918 10 0 ECAERN COC[C@H]1CN(C(=O)[C@@H]2CC[C@H](C(=O)N(C)C)O2)CC(C)(C)O1 ZINC000329704413 320785762 /nfs/dbraw/zinc/78/57/62/320785762.db2.gz JMKPNILLDOEWLE-UPJWGTAASA-N 0 0 328.409 0.275 10 0 ECAERN CN(Cc1nnn(C)n1)C[C@@H]1C[C@H](F)CN1Cc1nccs1 ZINC000333353550 320916051 /nfs/dbraw/zinc/91/60/51/320916051.db2.gz WGOKBJNWANQPOB-QWRGUYRKSA-N 0 0 325.417 0.711 10 0 ECAERN CO[C@H]1C[C@@H](CO)N(C(=O)Cn2cc(Br)ccc2=O)C1 ZINC000345517114 321190626 /nfs/dbraw/zinc/19/06/26/321190626.db2.gz XRXUCPJXSMLTHJ-QWRGUYRKSA-N 0 0 345.193 0.219 10 0 ECAERN C[C@@H](CN(C)Cc1ccccc1)NC(=O)NCCS(C)(=O)=O ZINC000181283186 533741410 /nfs/dbraw/zinc/74/14/10/533741410.db2.gz YKVSRUUPSHYLBM-ZDUSSCGKSA-N 0 0 327.450 0.851 10 0 ECAERN Cc1cc(N2CCC[C@H](NC(=O)N[C@H]3CCC[C@@H]3O)C2=O)n(C)n1 ZINC000173560202 533895218 /nfs/dbraw/zinc/89/52/18/533895218.db2.gz RXARGRLHSVWHJS-AVGNSLFASA-N 0 0 335.408 0.437 10 0 ECAERN C[C@@H](CNC(=O)CN1CCN(c2ccccn2)CC1)N1CCOCC1 ZINC000154968710 533898416 /nfs/dbraw/zinc/89/84/16/533898416.db2.gz JNXHLKNJWMHHCY-INIZCTEOSA-N 0 0 347.463 0.041 10 0 ECAERN Cc1ccn2c(c1)ncc(C(=O)N1CC(NC(=O)C3CC3)C1)c2=O ZINC000189481568 534349624 /nfs/dbraw/zinc/34/96/24/534349624.db2.gz PDQIWJVTGAJBOM-UHFFFAOYSA-N 0 0 326.356 0.354 10 0 ECAERN C[C@@H]1CN(C(=O)c2ccc3[nH]c(=O)[nH]c3c2)C[C@H]1N1CCOCC1 ZINC000173967137 534424219 /nfs/dbraw/zinc/42/42/19/534424219.db2.gz VQZOHWYRCNKAPU-IAQYHMDHSA-N 0 0 330.388 0.649 10 0 ECAERN CC(=O)N(C)c1cccc(NC(=O)C(=O)NCCn2cc(C)cn2)c1 ZINC000173176992 526479941 /nfs/dbraw/zinc/47/99/41/526479941.db2.gz ARZNGUNKXCAFBJ-UHFFFAOYSA-N 0 0 343.387 0.929 10 0 ECAERN CC(=O)NC1CN(C(=O)N[C@H](CN2CCOCC2)c2ccccc2)C1 ZINC000189735547 526711513 /nfs/dbraw/zinc/71/15/13/526711513.db2.gz HGCFOKPAFFIYAJ-QGZVFWFLSA-N 0 0 346.431 0.590 10 0 ECAERN CCCCN1CCOC[C@@H]1C(=O)NCCc1cccc(C(N)=O)c1 ZINC000191717151 528476335 /nfs/dbraw/zinc/47/63/35/528476335.db2.gz FRAJTQHMHDLJBC-MRXNPFEDSA-N 0 0 333.432 0.945 10 0 ECAERN CCOCCCNC(=O)N[C@@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000174682546 528680516 /nfs/dbraw/zinc/68/05/16/528680516.db2.gz LSVNKJQCBMZIJO-CYBMUJFWSA-N 0 0 337.424 0.950 10 0 ECAERN CCC[C@@H](NC(=O)Cc1ccccc1)C(=O)N1CC(NC(C)=O)C1 ZINC000190459577 528976033 /nfs/dbraw/zinc/97/60/33/528976033.db2.gz BXAJZLRWVOQNND-MRXNPFEDSA-N 0 0 331.416 0.861 10 0 ECAERN CN[C@@H](C(=O)NCc1ccc(-c2nn[nH]n2)cc1)c1cnn(C)c1 ZINC000262507193 536335876 /nfs/dbraw/zinc/33/58/76/536335876.db2.gz JGHLJFJMZKYIEA-CYBMUJFWSA-N 0 0 326.364 0.177 10 0 ECAERN CCCn1cc(CN2CCCN(C(=O)CNC(=O)OC)CC2)cn1 ZINC000105834276 545740051 /nfs/dbraw/zinc/74/00/51/545740051.db2.gz DSARNGOCJZUQKY-UHFFFAOYSA-N 0 0 337.424 0.683 10 0 ECAERN CC[C@H]1CN(S(=O)(=O)CC[C@@H]2CCCO2)CCN1CCOC ZINC000120922188 545752825 /nfs/dbraw/zinc/75/28/25/545752825.db2.gz BYDRNQOOOILFMQ-GJZGRUSLSA-N 0 0 334.482 0.928 10 0 ECAERN CC(C)(C)n1cc(CN2CCN(C(=O)[C@@H]3CCNC(=O)C3)CC2)cn1 ZINC000123369606 545758079 /nfs/dbraw/zinc/75/80/79/545758079.db2.gz FVVVZYYXTMNHEO-OAHLLOKOSA-N 0 0 347.463 0.809 10 0 ECAERN CN(C)C(=O)c1cc(S(=O)(=O)NC[C@@H]2CCCC[C@@H]2O)cn1C ZINC000181262537 545885946 /nfs/dbraw/zinc/88/59/46/545885946.db2.gz XJKOWDAWVLVFKK-FZMZJTMJSA-N 0 0 343.449 0.556 10 0 ECAERN NS(=O)(=O)c1ccc(CNC(=O)[C@H]2CCc3nc[nH]c3C2)cc1 ZINC000220548716 545922514 /nfs/dbraw/zinc/92/25/14/545922514.db2.gz JXBQMWCKYCCFGJ-NSHDSACASA-N 0 0 334.401 0.478 10 0 ECAERN Cc1cnn(C[C@H]2CN(S(=O)(=O)CC[C@H]3CCCO3)CCO2)c1 ZINC000245975113 545937867 /nfs/dbraw/zinc/93/78/67/545937867.db2.gz BQTROWYAWYRMKD-CABCVRRESA-N 0 0 343.449 0.791 10 0 ECAERN Cn1ncc(Br)c1C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000620468615 546430923 /nfs/dbraw/zinc/43/09/23/546430923.db2.gz GSHUXUCQPRRXSU-JTQLQIEISA-N 0 0 343.225 0.729 10 0 ECAERN O=S(=O)(N[C@H]1CCOC[C@@H]1O)c1ccccc1Br ZINC000625591384 547159274 /nfs/dbraw/zinc/15/92/74/547159274.db2.gz MXASTODSDJPCMQ-UWVGGRQHSA-N 0 0 336.207 0.877 10 0 ECAERN NS(=O)(=O)c1ccc(S(=O)(=O)NC2(C(F)F)CC2)cc1 ZINC000669677854 547922184 /nfs/dbraw/zinc/92/21/84/547922184.db2.gz WBTUUYBPNYIIKN-UHFFFAOYSA-N 0 0 326.346 0.410 10 0 ECAERN O=C(c1occc1Br)N1CC[C@]2(C1)NC(=O)NC2=O ZINC000674359730 548619636 /nfs/dbraw/zinc/61/96/36/548619636.db2.gz AOSDHZRKVYMJRB-LLVKDONJSA-N 0 0 328.122 0.466 10 0 ECAERN CCC1(C(=O)N2CC(N3C[C@@H](c4nc(C)no4)CC3=O)C2)COC1 ZINC000685941814 549727696 /nfs/dbraw/zinc/72/76/96/549727696.db2.gz HQSUGCOZTFABMB-NSHDSACASA-N 0 0 334.376 0.331 10 0 ECAERN COc1cccnc1CC(=O)N[C@H]1COC[C@H]1Oc1cnn(C)c1 ZINC000888093770 586348554 /nfs/dbraw/zinc/34/85/54/586348554.db2.gz SAXKXPZYENXCEA-DZGCQCFKSA-N 0 0 332.360 0.329 10 0 ECAERN O=C(NCc1ccc2c(c1)CCO2)c1cn([C@@H]2COC[C@H]2O)nn1 ZINC000888093582 586348641 /nfs/dbraw/zinc/34/86/41/586348641.db2.gz IIUWDCALOCMDPQ-ZIAGYGMSSA-N 0 0 330.344 0.075 10 0 ECAERN CC(C)NS(=O)(=O)CCNC(=O)C1C[C@H]2CSC[C@@H](C1)C2=O ZINC000900429751 586631142 /nfs/dbraw/zinc/63/11/42/586631142.db2.gz OQOKQMSXQVBCMD-YOGCLGLASA-N 0 0 348.490 0.389 10 0 ECAERN CCc1nc[nH]c1C(=O)N1CCN(c2cncc3ncnn32)CC1 ZINC000907574098 586738535 /nfs/dbraw/zinc/73/85/35/586738535.db2.gz XNIRQBRTZXTOFL-UHFFFAOYSA-N 0 0 326.364 0.372 10 0 ECAERN CCn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2cc(OC)n(C)n2)cn1 ZINC000818599602 587440074 /nfs/dbraw/zinc/44/00/74/587440074.db2.gz AOTRVTRSQFEZMD-QWHCGFSZSA-N 0 0 335.364 0.221 10 0 ECAERN CCc1noc([C@@H](C)N2CCN(Cn3cnc(C(=O)OC)n3)CC2)n1 ZINC000112071138 589576536 /nfs/dbraw/zinc/57/65/36/589576536.db2.gz WNVNUJPCTDQJFV-LLVKDONJSA-N 0 0 349.395 0.346 10 0 ECAERN CCc1noc([C@@H](C)N2CCN(CCS(=O)(=O)CC)CC2)n1 ZINC000118398231 589867105 /nfs/dbraw/zinc/86/71/05/589867105.db2.gz CABRLDPDJAKXLK-GFCCVEGCSA-N 0 0 330.454 0.745 10 0 ECAERN O=C(C[C@H]1CS(=O)(=O)CCN1)NCCc1ccc(Cl)cc1 ZINC000126670861 590478540 /nfs/dbraw/zinc/47/85/40/590478540.db2.gz XNUQMYDMAFMUKX-ZDUSSCGKSA-N 0 0 330.837 0.775 10 0 ECAERN CCCCCCNC(=O)[C@H]1CCCN(C(=O)[C@@H](C)NC(N)=O)C1 ZINC000132357821 590632163 /nfs/dbraw/zinc/63/21/63/590632163.db2.gz CEYZXSSEJMQCFV-OLZOCXBDSA-N 0 0 326.441 0.978 10 0 ECAERN COCCN1CCN(CN2C(=O)C(=O)c3cccc(F)c32)C[C@@H]1C ZINC000132628147 590654374 /nfs/dbraw/zinc/65/43/74/590654374.db2.gz OWPACTGXCSUKOK-LBPRGKRZSA-N 0 0 335.379 0.965 10 0 ECAERN CC(C)n1nnnc1C[S@](=O)CCn1cnc2ccccc2c1=O ZINC000133772610 590747290 /nfs/dbraw/zinc/74/72/90/590747290.db2.gz WFQVGMNNNLGFKF-DEOSSOPVSA-N 0 0 346.416 0.913 10 0 ECAERN CCc1nn(C)c(CC)c1CN1CCN([C@]2(C(N)=O)CCOC2)CC1 ZINC000886026714 590787221 /nfs/dbraw/zinc/78/72/21/590787221.db2.gz PVXFCZJZQNMDNY-GOSISDBHSA-N 0 0 349.479 0.307 10 0 ECAERN Cn1nccc1/C=C\C(=O)N1CCN([C@H]2CCCCNC2=O)CC1 ZINC000886044665 590788863 /nfs/dbraw/zinc/78/88/63/590788863.db2.gz LBCZMFYCNOIXMB-YVACAVLKSA-N 0 0 331.420 0.246 10 0 ECAERN CO[C@@H]1CN(C(=O)COc2c(C)nn(C)c2C)C[C@H]1c1cn(C)nn1 ZINC000886077623 590791074 /nfs/dbraw/zinc/79/10/74/590791074.db2.gz AICXXXDDQDQAQI-GXTWGEPZSA-N 0 0 348.407 0.185 10 0 ECAERN CN(C)c1ncc(CN(C)[C@H]2COC[C@H]2Oc2cnn(C)c2)n1C ZINC000886079069 590792064 /nfs/dbraw/zinc/79/20/64/590792064.db2.gz DRQPYOYTCXOOAF-LSDHHAIUSA-N 0 0 334.424 0.498 10 0 ECAERN O=C([C@H]1COCCN1C1CCCC1)N1CC(c2cc(CO)on2)C1 ZINC000886085491 590793325 /nfs/dbraw/zinc/79/33/25/590793325.db2.gz IIJCGTDWJQBCNP-MRXNPFEDSA-N 0 0 335.404 0.736 10 0 ECAERN Cc1ccccc1CCC(=O)N1CCN([C@@]2(C(N)=O)CCOC2)CC1 ZINC000886096417 590795655 /nfs/dbraw/zinc/79/56/55/590795655.db2.gz GCGGUBXOIOVXDH-IBGZPJMESA-N 0 0 345.443 0.716 10 0 ECAERN Cc1cc(C)c(CNC(=O)[C@H](CC(C)C)NS(C)(=O)=O)c(=O)[nH]1 ZINC000072240619 608730831 /nfs/dbraw/zinc/73/08/31/608730831.db2.gz YEGARTDVJPHPPB-ZDUSSCGKSA-N 0 0 343.449 0.572 10 0 ECAERN O=C1NCCC[C@H]1NS(=O)(=O)c1c(Cl)nc2sccn21 ZINC000050397677 608844873 /nfs/dbraw/zinc/84/48/73/608844873.db2.gz VWJFQSGHYSKAAD-ZCFIWIBFSA-N 0 0 334.810 0.606 10 0 ECAERN CC(C)C(=O)N1CCC[C@@H](c2nc3c([nH]2)n(C)c(=O)n(C)c3=O)C1 ZINC000222504366 609082546 /nfs/dbraw/zinc/08/25/46/609082546.db2.gz ZPMBIOZPLMDSCK-SNVBAGLBSA-N 0 0 333.392 0.322 10 0 ECAERN CCn1cc([C@H]2CN(CN3C(=O)N[C@](C)(C4CC4)C3=O)CCO2)cn1 ZINC000189841475 611701933 /nfs/dbraw/zinc/70/19/33/611701933.db2.gz QPTWXJDABPDNFT-RHSMWYFYSA-N 0 0 347.419 0.954 10 0 ECAERN C/C=C/[C@H](O)C(=O)N1C[C@H](COCC(=O)N(C)C)OC(C)(C)C1 ZINC000908089187 609642832 /nfs/dbraw/zinc/64/28/32/609642832.db2.gz GINAUHUTAWMZFJ-VWWYUBIBSA-N 0 0 328.409 0.034 10 0 ECAERN O=C(N[C@@H]1C[C@H](O)[C@H]1n1cccn1)[C@@H]1CCN(CC(F)(F)F)C1 ZINC000909187351 609682103 /nfs/dbraw/zinc/68/21/03/609682103.db2.gz URHYGJILCUGFHE-WYUUTHIRSA-N 0 0 332.326 0.558 10 0 ECAERN O=C(N[C@@H]1C[C@H](O)[C@H]1n1cccn1)[C@H]1CCN(CC(F)(F)F)C1 ZINC000909187347 609682157 /nfs/dbraw/zinc/68/21/57/609682157.db2.gz URHYGJILCUGFHE-USZNOCQGSA-N 0 0 332.326 0.558 10 0 ECAERN O=C(NCCO)[C@@H]1CN(C(=O)c2cccs2)Cc2cccnc21 ZINC000222695111 609703453 /nfs/dbraw/zinc/70/34/53/609703453.db2.gz GTQSSICIIRBYHB-GFCCVEGCSA-N 0 0 331.397 0.991 10 0 ECAERN Cc1noc(-c2cncn(CCC(=O)NCc3nccs3)c2=O)n1 ZINC000222843970 609705261 /nfs/dbraw/zinc/70/52/61/609705261.db2.gz YKDUECDIUWHCPW-UHFFFAOYSA-N 0 0 346.372 0.765 10 0 ECAERN CCOC(=O)CNC(=O)CCn1c2ccccc2nc(N(C)C)c1=O ZINC000222873901 609705639 /nfs/dbraw/zinc/70/56/39/609705639.db2.gz DPSPMLYLCGYHHR-UHFFFAOYSA-N 0 0 346.387 0.532 10 0 ECAERN CN(CCO)C(=O)c1cnc(-n2cnnc2)c(Br)c1 ZINC000223071831 609707130 /nfs/dbraw/zinc/70/71/30/609707130.db2.gz MAMWJAIDVXDUDQ-UHFFFAOYSA-N 0 0 326.154 0.489 10 0 ECAERN CN1C(=O)CO[C@@H](C(=O)NCC2(CO)CC2)[C@@H]1c1ccccc1F ZINC000223226106 609708950 /nfs/dbraw/zinc/70/89/50/609708950.db2.gz GHCBAUQROFHGIQ-LSDHHAIUSA-N 0 0 336.363 0.613 10 0 ECAERN COc1ccc(CNC(=O)N[C@@H]2CCc3n[nH]c(=O)n3CC2)cc1 ZINC000169783211 609746794 /nfs/dbraw/zinc/74/67/94/609746794.db2.gz MJXNMZSEEKTELP-GFCCVEGCSA-N 0 0 331.376 0.784 10 0 ECAERN O=C(CCCN1C(=O)c2ccccc2C1=O)N1CCOC[C@H]1CO ZINC000170209274 609749296 /nfs/dbraw/zinc/74/92/96/609749296.db2.gz DFNQOSNPKBGYGA-GFCCVEGCSA-N 0 0 332.356 0.283 10 0 ECAERN Cn1ncc(N2CC[C@@H](CNC(=O)/C=C\c3cccnc3)C2)cc1=O ZINC000229382212 609756241 /nfs/dbraw/zinc/75/62/41/609756241.db2.gz ILKGOGDPNHIWPY-XVWMLYKFSA-N 0 0 339.399 0.831 10 0 ECAERN Cc1ccc(N2CCCN(CC(=O)N3CCO[C@H](C)C3)CC2)nn1 ZINC000171549917 609762024 /nfs/dbraw/zinc/76/20/24/609762024.db2.gz AXIHBPKEIOTPRP-OAHLLOKOSA-N 0 0 333.436 0.544 10 0 ECAERN COCC[N@@H+]1CCN(CN2C(=O)NC3(CCCCC3)C2=O)C[C@H]1C ZINC000172237857 609770385 /nfs/dbraw/zinc/77/03/85/609770385.db2.gz ZPPGUAITVFCABO-CQSZACIVSA-N 0 0 338.452 0.851 10 0 ECAERN COC(=O)c1cn(CN2CCN([C@@H](C)c3nc(C)no3)CC2)nn1 ZINC000152638567 609869950 /nfs/dbraw/zinc/86/99/50/609869950.db2.gz UQMNEWXPTKRXOO-JTQLQIEISA-N 0 0 335.368 0.092 10 0 ECAERN O=C([C@H]1CCS(=O)(=O)c2ccccc21)N1CCOC[C@@H]1CO ZINC000912417807 609956726 /nfs/dbraw/zinc/95/67/26/609956726.db2.gz VEQYFSPEMCQHQA-AAEUAGOBSA-N 0 0 325.386 0.167 10 0 ECAERN COc1ccc(C)cc1N1C[C@@H](C(=O)N2CCOC[C@H]2CO)CC1=O ZINC000912426018 609957815 /nfs/dbraw/zinc/95/78/15/609957815.db2.gz AIUAZPKIZLYRRQ-UONOGXRCSA-N 0 0 348.399 0.576 10 0 ECAERN O=C([C@H]1CC(c2c(F)cccc2F)=NO1)N1CCOC[C@@H]1CO ZINC000912424276 609957980 /nfs/dbraw/zinc/95/79/80/609957980.db2.gz CXUFKXVENIJLGB-TVQRCGJNSA-N 0 0 326.299 0.678 10 0 ECAERN Cc1ccc(N2CCCN(CC(=O)N3CCO[C@@H](C)C3)CC2)nn1 ZINC000246988724 612636598 /nfs/dbraw/zinc/63/65/98/612636598.db2.gz AXIHBPKEIOTPRP-HNNXBMFYSA-N 0 0 333.436 0.544 10 0 ECAERN Cc1ccc2c(c1)c(CNC(=O)CC[C@H]1NC(=O)NC1=O)nn2C ZINC000091657040 612910540 /nfs/dbraw/zinc/91/05/40/612910540.db2.gz VDOPVRLQUYOFLF-LLVKDONJSA-N 0 0 329.360 0.486 10 0 ECAERN C[C@H]1[C@@H](C(=O)NCCNC(N)=O)CCCN1C(=O)OC(C)(C)C ZINC000722683443 732713942 /nfs/dbraw/zinc/71/39/42/732713942.db2.gz QDWXDEMGMDXIFN-QWRGUYRKSA-N 0 0 328.413 0.807 10 0 ECAERN Cc1nc2c(nccc2C(=O)N2CCOC[C@@H]2c2ncnn2C)[nH]1 ZINC000329095841 740424767 /nfs/dbraw/zinc/42/47/67/740424767.db2.gz BNBDAWQYSNOUBL-LLVKDONJSA-N 0 0 327.348 0.609 10 0 ECAERN CCc1ccc(-c2noc(CS(=O)(=O)C[C@H](O)CO)n2)cc1 ZINC000177670819 529578370 /nfs/dbraw/zinc/57/83/70/529578370.db2.gz YQQNYFRIBCZWBO-GFCCVEGCSA-N 0 0 326.374 0.567 10 0 ECAERN CCc1nn(C)c(OC)c1CNC(=O)N[C@H]1CCc2ncnn2C1 ZINC000179493397 529768065 /nfs/dbraw/zinc/76/80/65/529768065.db2.gz HMIIPWDGQIIOOD-JTQLQIEISA-N 0 0 333.396 0.397 10 0 ECAERN CNC(=O)[C@@H]1CCCN1C(=O)N[C@H]1CCN(c2ccccc2F)C1=O ZINC000158475242 529903050 /nfs/dbraw/zinc/90/30/50/529903050.db2.gz QUDNAIPMJVWRLH-JSGCOSHPSA-N 0 0 348.378 0.851 10 0 ECAERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1cccc2ccn(C)c21 ZINC000190564712 529901560 /nfs/dbraw/zinc/90/15/60/529901560.db2.gz HLKFXEVHZFGJRU-ZDUSSCGKSA-N 0 0 328.372 0.854 10 0 ECAERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1ccc2ncsc2c1 ZINC000166867217 529901575 /nfs/dbraw/zinc/90/15/75/529901575.db2.gz OJGDXFMNIPNIOG-NSHDSACASA-N 0 0 332.385 0.972 10 0 ECAERN CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1ccc(N(C)C)c(C)c1 ZINC000166900320 529923037 /nfs/dbraw/zinc/92/30/37/529923037.db2.gz SWWVQABTPHAXBQ-CQSZACIVSA-N 0 0 332.404 0.737 10 0 ECAERN CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1cccc(-n2ccnc2)c1 ZINC000166876319 529923180 /nfs/dbraw/zinc/92/31/80/529923180.db2.gz QUFCNEZCGYDIKZ-CQSZACIVSA-N 0 0 341.371 0.548 10 0 ECAERN C[N@@H+](CC(=O)[O-])C[C@@H]1CN(C(=O)N[C@H]2CC3CCC2CC3)CCO1 ZINC000263357557 282359840 /nfs/dbraw/zinc/35/98/40/282359840.db2.gz JKKVTUYHGHLLEV-CVSAEHQPSA-N 0 0 339.436 0.992 10 0 ECAERN Cc1ccc([C@@H](CNC(=O)C(=O)NC2CC2)N2CCOCC2)s1 ZINC000177971149 232045456 /nfs/dbraw/zinc/04/54/56/232045456.db2.gz FOYWCWVCEOQIAP-CYBMUJFWSA-N 0 0 337.445 0.825 10 0 ECAERN COC[C@@H](C)S(=O)(=O)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000178696794 232386729 /nfs/dbraw/zinc/38/67/29/232386729.db2.gz GZRNBLVCOHPVAB-ZBFHGGJFSA-N 0 0 342.461 0.702 10 0 ECAERN O=S(=O)(CCNS(=O)(=O)C1CC1)N1CCc2ccccc21 ZINC000044455386 213626434 /nfs/dbraw/zinc/62/64/34/213626434.db2.gz XJLKZTFIDUTUGL-UHFFFAOYSA-N 0 0 330.431 0.461 10 0 ECAERN Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)NC[C@H](C)N1CCOCC1 ZINC000104033282 219340917 /nfs/dbraw/zinc/34/09/17/219340917.db2.gz ZTORDZODJRCREB-NSHDSACASA-N 0 0 347.419 0.019 10 0 ECAERN C[C@@H]([NH3+])CNS(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl ZINC000104217279 219362309 /nfs/dbraw/zinc/36/23/09/219362309.db2.gz QIGFFCXDSGKHRK-SSDOTTSWSA-N 0 0 326.827 0.369 10 0 ECAERN Cn1cnc(S(=O)(=O)N2CCC[C@H](Cn3cncn3)C2)c1Cl ZINC000180975839 234049968 /nfs/dbraw/zinc/04/99/68/234049968.db2.gz LWUQRPXYQXBQLU-SNVBAGLBSA-N 0 0 344.828 0.766 10 0 ECAERN O=C(CCNC(=O)c1ccco1)N1CCCN(c2cccnn2)CC1 ZINC000105810138 219535976 /nfs/dbraw/zinc/53/59/76/219535976.db2.gz DNWZHEAOHRZZQV-UHFFFAOYSA-N 0 0 343.387 0.928 10 0 ECAERN C[C@H](NC(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(F)cc1)C(=O)N(C)C ZINC000191797844 299226024 /nfs/dbraw/zinc/22/60/24/299226024.db2.gz MZYLVCJAIZHKRD-XEGUGMAKSA-N 0 0 335.379 0.938 10 0 ECAERN O=S1(=O)C[C@H](NCc2cc(F)ccc2Br)[C@H](O)C1 ZINC000038039224 213195722 /nfs/dbraw/zinc/19/57/22/213195722.db2.gz OXETWIHWHZKBRP-WDEREUQCSA-N 0 0 338.198 0.836 10 0 ECAERN C[C@H](Oc1cccc(C(=O)NCCO)c1)C(=O)NCC(F)(F)F ZINC000069967853 215646882 /nfs/dbraw/zinc/64/68/82/215646882.db2.gz FCUVRFMZMQHHOD-VIFPVBQESA-N 0 0 334.294 0.855 10 0 ECAERN COCC(=O)NC1CN(C(=O)N[C@@H](C)c2nc3ccccc3[nH]2)C1 ZINC000188228721 236481980 /nfs/dbraw/zinc/48/19/80/236481980.db2.gz NFGXZHKDQYNEBG-JTQLQIEISA-N 0 0 331.376 0.780 10 0 ECAERN CCS(=O)(=O)CCNC(=O)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000188859067 236685132 /nfs/dbraw/zinc/68/51/32/236685132.db2.gz GTEYRTDNKOQADE-STQMWFEESA-N 0 0 346.474 0.900 10 0 ECAERN COCC(=O)NC1CN(C(=O)c2ccccc2-c2nc(C)no2)C1 ZINC000189176783 236785360 /nfs/dbraw/zinc/78/53/60/236785360.db2.gz IOSMJILCMSAPHR-UHFFFAOYSA-N 0 0 330.344 0.632 10 0 ECAERN Cc1cnn([C@@H]2CCCN(S(=O)(=O)[C@@H](C)C(=O)N(C)C)C2)c1 ZINC000193915793 240361352 /nfs/dbraw/zinc/36/13/52/240361352.db2.gz BUOFVSVURHQYEI-QWHCGFSZSA-N 0 0 328.438 0.635 10 0 ECAERN CCc1nc2nnc3c(ccn(NC(=O)c4cccnc4)c3=O)n2n1 ZINC000072466730 216247724 /nfs/dbraw/zinc/24/77/24/216247724.db2.gz HVDSBQMDGBTWIW-UHFFFAOYSA-N 0 0 336.315 0.176 10 0 ECAERN Cc1cc(N2CCC[C@@H](NC(=O)Nc3ccncn3)C2=O)n(C)n1 ZINC000194194175 240473164 /nfs/dbraw/zinc/47/31/64/240473164.db2.gz STCUWPMBPLUFMI-LLVKDONJSA-N 0 0 329.364 0.836 10 0 ECAERN Cc1c2ccccc2oc(=O)c1C(=O)NC[C@@H](O)CN1CCOCC1 ZINC000133007634 223381415 /nfs/dbraw/zinc/38/14/15/223381415.db2.gz NCTFRBXGHZHMGD-CYBMUJFWSA-N 0 0 346.383 0.524 10 0 ECAERN CCc1nn(CC(=O)N2CCN(C)CC2)c(=O)c2cc3occc3n21 ZINC000020416705 212126451 /nfs/dbraw/zinc/12/64/51/212126451.db2.gz RTWUXWUSCXBMPA-UHFFFAOYSA-N 0 0 343.387 0.579 10 0 ECAERN C[N@@H+](CC(=O)[O-])C[C@H]1CN(C(=O)CCC(=O)c2ccccc2)CCO1 ZINC000262893440 245234575 /nfs/dbraw/zinc/23/45/75/245234575.db2.gz HFZHWNYZGWWKDP-HNNXBMFYSA-N 0 0 348.399 0.893 10 0 ECAERN C[N@@H+](CC(=O)[O-])C[C@H]1CN(C(=O)Cc2cccc(F)c2F)CCO1 ZINC000262905574 245242366 /nfs/dbraw/zinc/24/23/66/245242366.db2.gz IVZHIHFOMRYXCA-LBPRGKRZSA-N 0 0 342.342 0.751 10 0 ECAERN C[N@@H+](CC(=O)[O-])C[C@@H]1CN(C(=O)c2c(F)cc(F)cc2F)CCO1 ZINC000262909214 245244529 /nfs/dbraw/zinc/24/45/29/245244529.db2.gz QNMIXHZDPSRCPX-SNVBAGLBSA-N 0 0 346.305 0.961 10 0 ECAERN Cc1ccc(OCC(=O)N2CCO[C@@H](C[N@@H+](C)CC(=O)[O-])C2)cc1 ZINC000262989462 245288102 /nfs/dbraw/zinc/28/81/02/245288102.db2.gz VIPKTJVKIGLDHL-HNNXBMFYSA-N 0 0 336.388 0.618 10 0 ECAERN CCN(C)C(=O)CNC(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(F)cc1 ZINC000184492485 284279808 /nfs/dbraw/zinc/27/98/08/284279808.db2.gz HCADIZDBPXHJGS-BBRMVZONSA-N 0 0 335.379 0.940 10 0 ECAERN CCCCN(C)S(=O)(=O)N1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000112094109 220241139 /nfs/dbraw/zinc/24/11/39/220241139.db2.gz ZZASDHHKZZPOKH-CQSZACIVSA-N 0 0 330.454 0.869 10 0 ECAERN COCCNS(=O)(=O)c1cc(N2C(=O)CCC2=O)ccc1OC ZINC000012200516 211319076 /nfs/dbraw/zinc/31/90/76/211319076.db2.gz XFBBOTBRWTXUFY-UHFFFAOYSA-N 0 0 342.373 0.273 10 0 ECAERN Cc1nc2cc(NC(=O)C(=O)NC[C@@H](C)N3CCOCC3)ccc2o1 ZINC000091193839 217978365 /nfs/dbraw/zinc/97/83/65/217978365.db2.gz CVSSIIKHCOBEKH-LLVKDONJSA-N 0 0 346.387 0.912 10 0 ECAERN COCCNC(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1Cl ZINC000012023129 211280076 /nfs/dbraw/zinc/28/00/76/211280076.db2.gz VDJUMMGJKRBUTO-UHFFFAOYSA-N 0 0 346.792 0.783 10 0 ECAERN NC(=O)[C@H]1COCCN1C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000092231249 218127676 /nfs/dbraw/zinc/12/76/76/218127676.db2.gz DMCKKOSOPHDBEK-ZYHUDNBSSA-N 0 0 349.214 0.919 10 0 ECAERN NC(=O)[C@H]1COCCN1Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000092229730 218127925 /nfs/dbraw/zinc/12/79/25/218127925.db2.gz DKSZPTUFGIHPRU-MRXNPFEDSA-N 0 0 331.416 0.999 10 0 ECAERN Cc1cn2c(ncc(C(=O)NC[C@H](C)N3CCOCC3)c2=O)s1 ZINC000092861436 218177651 /nfs/dbraw/zinc/17/76/51/218177651.db2.gz GDHRZSPWSQOPSS-JTQLQIEISA-N 0 0 336.417 0.515 10 0 ECAERN NS(=O)(=O)c1cc(I)c(OC2CC2)cn1 ZINC000095734559 218447861 /nfs/dbraw/zinc/44/78/61/218447861.db2.gz AXSWRXCEQANIMK-UHFFFAOYSA-N 0 0 340.142 0.875 10 0 ECAERN Cn1cc([C@]2(C)CN(c3nnc(Cl)cc3C(N)=O)CCO2)cn1 ZINC000153321563 224087705 /nfs/dbraw/zinc/08/77/05/224087705.db2.gz NKNUWGQDFACJDE-AWEZNQCLSA-N 0 0 336.783 0.714 10 0 ECAERN CNC(=O)[C@H](NC(=O)NCc1nncn1-c1ccccc1)C(C)C ZINC000178424341 207686342 /nfs/dbraw/zinc/68/63/42/207686342.db2.gz MFVJSNJDMKYYBQ-CQSZACIVSA-N 0 0 330.392 0.837 10 0 ECAERN O=C1C[C@H](N2CC[C@H](N3CCOCC3)C2)C(=O)N1CC(F)(F)F ZINC000248757171 296347566 /nfs/dbraw/zinc/34/75/66/296347566.db2.gz CSPMOFQESBOSED-QWRGUYRKSA-N 0 0 335.326 0.083 10 0 ECAERN Cc1ccc(C(=O)NCC(=O)N[C@H]2CCc3ncnn3C2)cc1C ZINC000112725224 220386747 /nfs/dbraw/zinc/38/67/47/220386747.db2.gz WZFPSJIRUHMBHU-AWEZNQCLSA-N 0 0 327.388 0.756 10 0 ECAERN CC[C@@H](OC1CCCCC1)C(=O)NC[C@H](O)CN1CCOCC1 ZINC000132360440 545790407 /nfs/dbraw/zinc/79/04/07/545790407.db2.gz WWFPYTMHGSSJCY-GOEBONIOSA-N 0 0 328.453 0.924 10 0 ECAERN Cn1nccc1C1CCN(C(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)CC1 ZINC000154332934 224239374 /nfs/dbraw/zinc/23/93/74/224239374.db2.gz MGZWAFPXPKOOGT-OCCSQVGLSA-N 0 0 335.408 0.342 10 0 ECAERN O=C(CNC(=O)c1cccnc1)N1CCC(Cn2cccn2)CC1 ZINC000154450073 224254627 /nfs/dbraw/zinc/25/46/27/224254627.db2.gz FDOUMIDLXKWBLK-UHFFFAOYSA-N 0 0 327.388 0.947 10 0 ECAERN Cn1nccc1CNC(=O)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000117033552 221025653 /nfs/dbraw/zinc/02/56/53/221025653.db2.gz XUAOSQDBSKUYBG-QGZVFWFLSA-N 0 0 343.431 0.981 10 0 ECAERN COCCN1CCN(C(=O)NCc2nnc3n2CCCC3)C[C@@H]1C ZINC000117481487 221070387 /nfs/dbraw/zinc/07/03/87/221070387.db2.gz XWTNQGAPAHBADE-ZDUSSCGKSA-N 0 0 336.440 0.477 10 0 ECAERN Cc1cnn(CCNC(=O)CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)c1 ZINC000117817114 221093106 /nfs/dbraw/zinc/09/31/06/221093106.db2.gz RKBHFFYJGBFILL-CXAGYDPISA-N 0 0 347.419 0.808 10 0 ECAERN Cc1cnn(CCNC(=O)NCC2CCN(S(C)(=O)=O)CC2)c1 ZINC000118068255 221111857 /nfs/dbraw/zinc/11/18/57/221111857.db2.gz JGWIBRNPQPJCMX-UHFFFAOYSA-N 0 0 343.453 0.162 10 0 ECAERN O=C(CCNC(=O)c1ccco1)N[C@@H]1CCCN(c2cccnn2)C1 ZINC000118673178 221167905 /nfs/dbraw/zinc/16/79/05/221167905.db2.gz JGYBRJBSEOEMRK-CYBMUJFWSA-N 0 0 343.387 0.975 10 0 ECAERN CNC(=O)c1cncc(/C=C/C(=O)N2CCC[C@H](NC(C)=O)C2)c1 ZINC000110227138 296638214 /nfs/dbraw/zinc/63/82/14/296638214.db2.gz XUWKCUOGHGRAMY-NFAHFFEMSA-N 0 0 330.388 0.582 10 0 ECAERN CNC(=O)c1cncc(/C=C/C(=O)N2CCC[C@@H](NC(C)=O)C2)c1 ZINC000110227134 296638282 /nfs/dbraw/zinc/63/82/82/296638282.db2.gz XUWKCUOGHGRAMY-LLYBFZRZSA-N 0 0 330.388 0.582 10 0 ECAERN CS(=O)(=O)CCN1CCN(c2ncnc3cccc(F)c32)CC1 ZINC000091574157 286596551 /nfs/dbraw/zinc/59/65/51/286596551.db2.gz QNJYSPPBAPKSRE-UHFFFAOYSA-N 0 0 338.408 0.936 10 0 ECAERN CCN(CC)C(=O)CN1CCN(C[C@@H](O)COC(C)(C)C)CC1 ZINC000053432768 164560851 /nfs/dbraw/zinc/56/08/51/164560851.db2.gz FGGJMJOWHRXGPR-OAHLLOKOSA-N 0 0 329.485 0.648 10 0 ECAERN O=C(c1csc(Br)c1)N1CC[C@@]2(C1)NC(=O)NC2=O ZINC000083856582 164628180 /nfs/dbraw/zinc/62/81/80/164628180.db2.gz FFJOXYFJOKVGBR-NSHDSACASA-N 0 0 344.190 0.935 10 0 ECAERN C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)CN1CCOC[C@@H]1C(N)=O ZINC000092228587 164644519 /nfs/dbraw/zinc/64/45/19/164644519.db2.gz PMMDNLZRGNVZOH-IINYFYTJSA-N 0 0 341.358 0.670 10 0 ECAERN NC(=O)[C@@H]1COCCN1CCC(=O)NCc1ccccc1Cl ZINC000092231106 164644778 /nfs/dbraw/zinc/64/47/78/164644778.db2.gz RQKKCZISVYUMJR-ZDUSSCGKSA-N 0 0 325.796 0.532 10 0 ECAERN CC(=O)NCC(=O)NCC(=O)N1CCC[C@@H](c2nc(C)cs2)C1 ZINC000173430230 164855061 /nfs/dbraw/zinc/85/50/61/164855061.db2.gz XWPJWMDYFDMNTA-GFCCVEGCSA-N 0 0 338.433 0.410 10 0 ECAERN CCN(CC1CC1)S(=O)(=O)N1CCOC[C@@H]1c1nc(C)no1 ZINC000184024714 164960937 /nfs/dbraw/zinc/96/09/37/164960937.db2.gz AUOKYZGDXUECKZ-GFCCVEGCSA-N 0 0 330.410 0.728 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)N1CCN(CC(C)C)C(=O)C1)CC2 ZINC000187113551 164987794 /nfs/dbraw/zinc/98/77/94/164987794.db2.gz TXRLUKSOTKKFDX-CYBMUJFWSA-N 0 0 348.451 0.665 10 0 ECAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCCN1c2ccccc2C[C@@H]1C ZINC000188792942 165001912 /nfs/dbraw/zinc/00/19/12/165001912.db2.gz JTRIYKNLWPMYIE-XGWLTEMNSA-N 0 0 331.416 0.536 10 0 ECAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCc1cccc(OCC(F)F)c1 ZINC000188856561 165003164 /nfs/dbraw/zinc/00/31/64/165003164.db2.gz KNKFIEZIBLJQDA-TZMCWYRMSA-N 0 0 342.342 0.928 10 0 ECAERN Cn1ccnc1CN1CCC(C(=O)N2CC(NC(=O)C3CC3)C2)CC1 ZINC000189365577 165009715 /nfs/dbraw/zinc/00/97/15/165009715.db2.gz WOFPHVRNKBSBDE-UHFFFAOYSA-N 0 0 345.447 0.369 10 0 ECAERN Cc1ccn(-c2ccccc2NC(=O)C(=O)N[C@H](C(N)=O)C(C)C)n1 ZINC000189548685 165011745 /nfs/dbraw/zinc/01/17/45/165011745.db2.gz WQUNWYZQEHQPFL-AWEZNQCLSA-N 0 0 343.387 0.745 10 0 ECAERN CCn1cnnc1C1CCN(S(=O)(=O)[C@H]2CCO[C@@H]2C)CC1 ZINC000190059951 165018253 /nfs/dbraw/zinc/01/82/53/165018253.db2.gz GESINCIGQAORCT-YPMHNXCESA-N 0 0 328.438 0.985 10 0 ECAERN Cc1ccc(C[C@H](CO)NC(=O)N[C@H]2CCc3ncnn3C2)cc1 ZINC000190163415 165019444 /nfs/dbraw/zinc/01/94/44/165019444.db2.gz QNNFMAKFIBJCMM-LSDHHAIUSA-N 0 0 329.404 0.804 10 0 ECAERN C[C@H]1C(=O)NCCCN1C(=O)C(=O)Nc1ccc(-n2cccn2)cc1 ZINC000190668581 165024556 /nfs/dbraw/zinc/02/45/56/165024556.db2.gz ZNJXNWXUQMTNFD-LBPRGKRZSA-N 0 0 341.371 0.548 10 0 ECAERN C[C@H]1C(=O)NCCCN1C(=O)C(=O)Nc1ccc(F)c(F)c1F ZINC000190669149 165024770 /nfs/dbraw/zinc/02/47/70/165024770.db2.gz IMUCIOCYVAXSDW-ZETCQYMHSA-N 0 0 329.278 0.779 10 0 ECAERN CCN(C)C(=O)[C@@H](C)NC(=O)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000190797170 165025777 /nfs/dbraw/zinc/02/57/77/165025777.db2.gz JMMLWUNQCPENME-NEPJUHHUSA-N 0 0 336.440 0.882 10 0 ECAERN COCCN1CCCN(C[C@H](O)COCc2ccccc2)CC1=O ZINC000190776010 165026043 /nfs/dbraw/zinc/02/60/43/165026043.db2.gz XSEWFKOLGSZKTD-KRWDZBQOSA-N 0 0 336.432 0.745 10 0 ECAERN C[C@@H]1C(=O)NCCCN1C(=O)NCCCc1nnc2n1CCCCC2 ZINC000191366262 165030963 /nfs/dbraw/zinc/03/09/63/165030963.db2.gz LTACMRPMRYXAII-CYBMUJFWSA-N 0 0 348.451 0.857 10 0 ECAERN C[C@H](C(=O)N(C)C)S(=O)(=O)N1CCC(c2ccnn2C)CC1 ZINC000193937672 165060500 /nfs/dbraw/zinc/06/05/00/165060500.db2.gz XIUWDVHWYXNRAS-LLVKDONJSA-N 0 0 328.438 0.406 10 0 ECAERN Cc1cc(=O)c(C(=O)NC[C@@H]2CN(C)CCO2)nn1-c1ccccc1 ZINC000194626046 165069228 /nfs/dbraw/zinc/06/92/28/165069228.db2.gz XRZPPNXSLGLSTJ-OAHLLOKOSA-N 0 0 342.399 0.601 10 0 ECAERN NS(=O)(=O)Cc1cccc(C(=O)N2CCN3CCCC[C@H]3C2)c1 ZINC000195191007 165077200 /nfs/dbraw/zinc/07/72/00/165077200.db2.gz RFLDBEYFZMYNLQ-HNNXBMFYSA-N 0 0 337.445 0.785 10 0 ECAERN CC(C)c1nnc2n1C[C@H](NC(=O)CCC(=O)N1CCOCC1)CC2 ZINC000195291109 165079913 /nfs/dbraw/zinc/07/99/13/165079913.db2.gz LWTWLRYCLQCPJS-CYBMUJFWSA-N 0 0 349.435 0.472 10 0 ECAERN CC(C)n1nnnc1CS(=O)(=O)CC(=O)N(C)C1CCCCC1 ZINC000195428468 165081408 /nfs/dbraw/zinc/08/14/08/165081408.db2.gz OWAZGSXARZVZNQ-UHFFFAOYSA-N 0 0 343.453 0.960 10 0 ECAERN CC(=O)N1CCN(C(=O)CN2CCC[C@@H](Cc3noc(C)n3)C2)CC1 ZINC000195517970 165085442 /nfs/dbraw/zinc/08/54/42/165085442.db2.gz IZLHWGVKZMNDQA-HNNXBMFYSA-N 0 0 349.435 0.323 10 0 ECAERN C[C@H](O)CN1CCN(C(=O)[C@H](C)Oc2cccc(CO)c2)C[C@@H]1C ZINC000245727622 165114025 /nfs/dbraw/zinc/11/40/25/165114025.db2.gz BSLQSGDEYCRMCN-KKUMJFAQSA-N 0 0 336.432 0.860 10 0 ECAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)NC[C@H]1CC[C@@H](C(N)=O)O1 ZINC000245773469 165115521 /nfs/dbraw/zinc/11/55/21/165115521.db2.gz NRJIQMZYDPXVMG-RDBSUJKOSA-N 0 0 349.435 0.916 10 0 ECAERN OC[C@@H]1CCCN1c1cc(N2CCO[C@@H](Cn3cccn3)C2)ncn1 ZINC000246239947 165125880 /nfs/dbraw/zinc/12/58/80/165125880.db2.gz JDKZKHMPHICZEY-LSDHHAIUSA-N 0 0 344.419 0.540 10 0 ECAERN COC(=O)[C@@H](C)CS(=O)(=O)N1CCC[C@H](n2cc(C)cn2)C1 ZINC000246536060 165137155 /nfs/dbraw/zinc/13/71/55/165137155.db2.gz VDOBYMYPMANLJJ-STQMWFEESA-N 0 0 329.422 0.967 10 0 ECAERN CC(=O)N[C@H]1CCCN(C(=O)CN2CC[C@@H](Oc3cccnc3)C2)C1 ZINC000246581902 165139815 /nfs/dbraw/zinc/13/98/15/165139815.db2.gz IDYGQJKLJFASQI-DOTOQJQBSA-N 0 0 346.431 0.662 10 0 ECAERN C[C@@H]1CN(c2cc(N3CCC[C@H]3CO)ncn2)C[C@@H]1N1CCOCC1 ZINC000246609800 165140390 /nfs/dbraw/zinc/14/03/90/165140390.db2.gz WRJGNSQXVAXZGC-PMPSAXMXSA-N 0 0 347.463 0.595 10 0 ECAERN CN1CC[C@H](NS(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)C1=O ZINC000246950717 165146950 /nfs/dbraw/zinc/14/69/50/165146950.db2.gz FQQOYDBQKAGESH-PGUXBMHVSA-N 0 0 328.434 0.532 10 0 ECAERN COC[C@@H](C)n1ccc(NC(=O)C(=O)N2CCN3CCCC[C@H]3C2)n1 ZINC000249542178 165198809 /nfs/dbraw/zinc/19/88/09/165198809.db2.gz FGLYQTLEQJQTNE-KGLIPLIRSA-N 0 0 349.435 0.726 10 0 ECAERN CC[C@H](C)NC(=O)CN1CCN(C(=O)N[C@@H](C)[C@H]2CCCO2)CC1 ZINC000249528684 165199062 /nfs/dbraw/zinc/19/90/62/165199062.db2.gz WICMHOVSPNELFY-SOUVJXGZSA-N 0 0 340.468 0.796 10 0 ECAERN C[C@H]1OCCN[C@@H]1C(=O)N1CCN(C(=O)Cc2ccccc2)CC1 ZINC000261991425 165272496 /nfs/dbraw/zinc/27/24/96/165272496.db2.gz SUAWXOVSTITGGF-PBHICJAKSA-N 0 0 331.416 0.277 10 0 ECAERN Cc1cc(F)ccc1-n1cc([O-])c(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)n1 ZINC000262277479 165322479 /nfs/dbraw/zinc/32/24/79/165322479.db2.gz NMMLHTDXHIUQQP-ZWNOBZJWSA-N 0 0 334.351 0.336 10 0 ECAERN C[C@H]1OCCN[C@@H]1C(=O)N[C@@H]1CCN(C(=O)CCc2ccccc2)C1 ZINC000262376907 165340441 /nfs/dbraw/zinc/34/04/41/165340441.db2.gz WRIGNJWJDYPBRJ-KYJSFNMBSA-N 0 0 345.443 0.713 10 0 ECAERN CC(C)(C(=O)NC1CC([N@@H+](CC(=O)[O-])CC2CC2)C1)S(C)(=O)=O ZINC000262711920 165376738 /nfs/dbraw/zinc/37/67/38/165376738.db2.gz LZIORUBAZYZCEO-UHFFFAOYSA-N 0 0 346.449 0.253 10 0 ECAERN CCC(=O)N1CCCC[C@H]1C(=O)NC1CC([N@H+](CC)CC(=O)[O-])C1 ZINC000262734279 165379353 /nfs/dbraw/zinc/37/93/53/165379353.db2.gz VEHBSGNUCCUIKE-RUXDESIVSA-N 0 0 339.436 0.831 10 0 ECAERN O=C(Cn1c(=O)[nH]c2ccccc21)N1CCC[C@H]1Cn1ccnn1 ZINC000299744621 296881348 /nfs/dbraw/zinc/88/13/48/296881348.db2.gz PLEFWOGMBVESAV-LBPRGKRZSA-N 0 0 326.360 0.612 10 0 ECAERN COCc1noc(CN2CCN(c3nccnc3N(C)C)CC2)n1 ZINC000302543002 296898645 /nfs/dbraw/zinc/89/86/45/296898645.db2.gz OJAPUWJTPCIWFI-UHFFFAOYSA-N 0 0 333.396 0.394 10 0 ECAERN CS(=O)(=O)c1cc(C(=O)N2CCO[C@H](CO)C2)ccc1Cl ZINC000167457572 226192371 /nfs/dbraw/zinc/19/23/71/226192371.db2.gz QELCRXYBXXKOJD-JTQLQIEISA-N 0 0 333.793 0.577 10 0 ECAERN CC(C)C[C@H](NC(=O)[C@@H]1CNC(=O)C1)c1nc(-c2nc[nH]n2)no1 ZINC000121047846 221744633 /nfs/dbraw/zinc/74/46/33/221744633.db2.gz PLIGWONZZSDMKA-IUCAKERBSA-N 0 0 333.352 0.194 10 0 ECAERN C[C@@H](O)CN1CCN(S(=O)(=O)Cc2ccc(Cl)nc2)C[C@H]1C ZINC000122350136 222067925 /nfs/dbraw/zinc/06/79/25/222067925.db2.gz ZWBCADPAXGJDIL-VXGBXAGGSA-N 0 0 347.868 0.952 10 0 ECAERN O=C(NC[C@@H](O)CN1CCOCC1)c1cc(-c2cccs2)n[nH]1 ZINC000122600215 222121283 /nfs/dbraw/zinc/12/12/83/222121283.db2.gz IJSDJJZQIOUEFU-LLVKDONJSA-N 0 0 336.417 0.561 10 0 ECAERN COCCN1CCN(C(=O)CCCNC(=O)c2cccnc2)C[C@H]1C ZINC000123773070 222330468 /nfs/dbraw/zinc/33/04/68/222330468.db2.gz ULOHKPXWKLJVNX-OAHLLOKOSA-N 0 0 348.447 0.771 10 0 ECAERN CCn1cc(C2CCN(C(=O)Cn3ccc(=O)n(C)c3=O)CC2)cn1 ZINC000123973173 222360074 /nfs/dbraw/zinc/36/00/74/222360074.db2.gz QHJJWLADLMJLRU-UHFFFAOYSA-N 0 0 345.403 0.170 10 0 ECAERN CO[C@H]1C[C@H](c2nc(C)no2)N(CC(=O)N(C)Cc2cnn(C)c2)C1 ZINC000189320440 263162965 /nfs/dbraw/zinc/16/29/65/263162965.db2.gz PKAHHQWGYILQPN-UONOGXRCSA-N 0 0 348.407 0.532 10 0 ECAERN CC(=O)NC1CN(C(=O)CCNC(=O)c2[nH]nc3ccccc32)C1 ZINC000190459598 263163893 /nfs/dbraw/zinc/16/38/93/263163893.db2.gz MVCGIHQRDWEWOI-UHFFFAOYSA-N 0 0 329.360 0.030 10 0 ECAERN C[C@@H](NC(=O)[C@@H]1CNC(=O)C1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000195355363 263170955 /nfs/dbraw/zinc/17/09/55/263170955.db2.gz WGASUESVZBGSTQ-OLZOCXBDSA-N 0 0 344.415 0.866 10 0 ECAERN C[C@@H]1NC(=O)CC[C@H]1NC(=O)Cn1cc(Br)ccc1=O ZINC000282193455 264024630 /nfs/dbraw/zinc/02/46/30/264024630.db2.gz SEZCKUMPNXGPJW-WCBMZHEXSA-N 0 0 342.193 0.394 10 0 ECAERN C[C@H]1NC(=O)CC[C@H]1NC(=O)Cn1cc(Br)ccc1=O ZINC000282193448 264024796 /nfs/dbraw/zinc/02/47/96/264024796.db2.gz SEZCKUMPNXGPJW-PSASIEDQSA-N 0 0 342.193 0.394 10 0 ECAERN C[C@H]1NC(=O)CC[C@H]1NS(=O)(=O)c1cncc(Br)c1 ZINC000282523576 264049311 /nfs/dbraw/zinc/04/93/11/264049311.db2.gz LYPFDNZTDABDKU-GMSGAONNSA-N 0 0 348.222 0.790 10 0 ECAERN CO[C@H]1C[C@@H](C(N)=O)N(C(=O)c2cnn(Cc3ccccc3)c2)C1 ZINC000284477887 264217577 /nfs/dbraw/zinc/21/75/77/264217577.db2.gz BSBQUXCAORAQNS-GJZGRUSLSA-N 0 0 328.372 0.646 10 0 ECAERN CCN(Cc1cccc(F)c1)C(=O)CN1C[C@@H](OC)C[C@H]1C(N)=O ZINC000284563064 264228494 /nfs/dbraw/zinc/22/84/94/264228494.db2.gz HHXAMQMQOIXDJD-GJZGRUSLSA-N 0 0 337.395 0.749 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)C(=O)Nc2cc(C)ccc2F)CC1 ZINC000189463863 437601010 /nfs/dbraw/zinc/60/10/10/437601010.db2.gz FAUWSTRBBYFTHW-ZDUSSCGKSA-N 0 0 337.395 0.988 10 0 ECAERN CCc1noc(C)c1NC(=O)C(=O)N1CCN(C[C@H](O)CC)CC1 ZINC000189455322 437601069 /nfs/dbraw/zinc/60/10/69/437601069.db2.gz BVRZYDKFOIYTLW-GFCCVEGCSA-N 0 0 338.408 0.399 10 0 ECAERN O=C(CNC(=O)c1ccc(F)c(F)c1)N1CC(NC(=O)C2CC2)C1 ZINC000189455640 437601412 /nfs/dbraw/zinc/60/14/12/437601412.db2.gz ZGSOTWCRJMBTEN-UHFFFAOYSA-N 0 0 337.326 0.432 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)C(=O)Nc2cc(F)ccc2C)CC1 ZINC000189457279 437602336 /nfs/dbraw/zinc/60/23/36/437602336.db2.gz KLEAHGAITHEYBI-AWEZNQCLSA-N 0 0 337.395 0.988 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)C(=O)Nc2ccc3n[nH]cc3c2)CC1 ZINC000189454906 437602781 /nfs/dbraw/zinc/60/27/81/437602781.db2.gz MXNWIRSENRGHPO-CQSZACIVSA-N 0 0 345.403 0.417 10 0 ECAERN O=C(c1ccc(Br)s1)N1CC[C@@]2(C1)NC(=O)NC2=O ZINC000083856816 280181060 /nfs/dbraw/zinc/18/10/60/280181060.db2.gz WYFPCNCMXGZBRL-NSHDSACASA-N 0 0 344.190 0.935 10 0 ECAERN C[C@@H]1Oc2c(cccc2C(=O)N[C@H]2CCc3ncnn3C2)NC1=O ZINC000112657115 288925356 /nfs/dbraw/zinc/92/53/56/288925356.db2.gz DHSUBZQCGJEWQA-UWVGGRQHSA-N 0 0 327.344 0.742 10 0 ECAERN O=C(Nc1cnn(Cc2ccncc2)c1)C(=O)N1CCC[C@@H]1CO ZINC000189933411 437613451 /nfs/dbraw/zinc/61/34/51/437613451.db2.gz HCSMGRHPFFAJAW-CQSZACIVSA-N 0 0 329.360 0.248 10 0 ECAERN CN(CC(=O)N1CCC[C@H]1C[C@@H](O)c1ccco1)S(C)(=O)=O ZINC000246799951 289460880 /nfs/dbraw/zinc/46/08/80/289460880.db2.gz YCDCVKLFRIOCON-NWDGAFQWSA-N 0 0 330.406 0.586 10 0 ECAERN CCc1nn(C)cc1CNC(=O)N1CCS(=O)(=O)C[C@@H](C)C1 ZINC000333009888 297099983 /nfs/dbraw/zinc/09/99/83/297099983.db2.gz FOLMPTTVICRRBJ-NSHDSACASA-N 0 0 328.438 0.559 10 0 ECAERN Cc1ncsc1CCS(=O)(=O)NC[C@@H]1CN(C2CC2)CCO1 ZINC000333067420 297106261 /nfs/dbraw/zinc/10/62/61/297106261.db2.gz JJBFDHBUJMFBEZ-CYBMUJFWSA-N 0 0 345.490 0.777 10 0 ECAERN CC(C)[C@@H]1N(C(=O)N[C@H]2CCc3nnnn3CC2)C[C@@]12CCCO2 ZINC000333237183 297120276 /nfs/dbraw/zinc/12/02/76/297120276.db2.gz AHRAZVAYBMNASC-NOLJZWGESA-N 0 0 334.424 0.977 10 0 ECAERN Cn1cc([C@@H]2OCC[C@H]2NC(=O)N2CCC[C@@](F)(CO)C2)cn1 ZINC000333432599 297133379 /nfs/dbraw/zinc/13/33/79/297133379.db2.gz UTNLHNPKJWLMCZ-IPYPFGDCSA-N 0 0 326.372 0.756 10 0 ECAERN CC(=O)N[C@@H]1CCCN(C(=O)CCN2C(=O)c3ccccc3C2=O)C1 ZINC000337444543 297188876 /nfs/dbraw/zinc/18/88/76/297188876.db2.gz BOTWNANTXOWCQL-CYBMUJFWSA-N 0 0 343.383 0.800 10 0 ECAERN C[C@H]1C(=O)NCCCN1C(=O)N[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000364978851 300406795 /nfs/dbraw/zinc/40/67/95/300406795.db2.gz GIUIQXVPBHHHPE-QWHCGFSZSA-N 0 0 330.388 0.712 10 0 ECAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1 ZINC000370275863 300811336 /nfs/dbraw/zinc/81/13/36/300811336.db2.gz RGFURQCBYHUVAT-ZBAXXZLZSA-N 0 0 332.408 0.730 10 0 ECAERN COc1ccc(-c2cc(C[C@H](O)CO)ccc2O)cc1C[C@H](O)CO ZINC000072107320 436033169 /nfs/dbraw/zinc/03/31/69/436033169.db2.gz LOZQPRNAFFRXNY-HOTGVXAUSA-N 0 0 348.395 0.859 10 0 ECAERN CC(=O)O[C@H]1O[C@@H](C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000014686167 436073077 /nfs/dbraw/zinc/07/30/77/436073077.db2.gz QZQMGQQOGJIDKJ-LSGQWTDKSA-N 0 0 332.305 0.089 10 0 ECAERN C[C@H]1CN(C(=O)Cn2c3ccccc3[nH]c2=O)C[C@H]1N1CCOCC1 ZINC000076052312 436189860 /nfs/dbraw/zinc/18/98/60/436189860.db2.gz SQNSNGGSKDFNDZ-XJKSGUPXSA-N 0 0 344.415 0.509 10 0 ECAERN C[C@@H](CNC(=O)c1ccc(CS(C)(=O)=O)cc1)N1CCOCC1 ZINC000029957734 436212942 /nfs/dbraw/zinc/21/29/42/436212942.db2.gz SFUJLVVVZGRSHR-ZDUSSCGKSA-N 0 0 340.445 0.682 10 0 ECAERN CNC(=O)[C@@H](NC(=O)CN1CCC[C@H](NC(C)=O)C1)c1ccccc1 ZINC000077170269 436227707 /nfs/dbraw/zinc/22/77/07/436227707.db2.gz HDUQGSURMVVONI-RDJZCZTQSA-N 0 0 346.431 0.190 10 0 ECAERN C[C@@H](CNC(=O)C(=O)Nc1c(F)cccc1F)N1CCOCC1 ZINC000041600914 436279754 /nfs/dbraw/zinc/27/97/54/436279754.db2.gz FASTWCRYSRVPTJ-JTQLQIEISA-N 0 0 327.331 0.740 10 0 ECAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)N[C@@H](C)CS(=O)(=O)CC ZINC000087139276 436397148 /nfs/dbraw/zinc/39/71/48/436397148.db2.gz GKROTRYZDRVETL-WDEREUQCSA-N 0 0 343.453 0.798 10 0 ECAERN CN1C(=O)CC[C@@H](C(=O)N2CCN(CCO)CC2)[C@@H]1c1ccccc1 ZINC000087083880 436397857 /nfs/dbraw/zinc/39/78/57/436397857.db2.gz SSHTVRHNSQOIOC-AEFFLSMTSA-N 0 0 345.443 0.733 10 0 ECAERN CCc1nnc(CS(=O)(=O)CC(=O)N[C@@H]2CCCC[C@@H]2C)n1C ZINC000091049658 436439858 /nfs/dbraw/zinc/43/98/58/436439858.db2.gz MYRJSTFDPXHMTF-NWDGAFQWSA-N 0 0 342.465 0.987 10 0 ECAERN CC(C)[C@H](CNC(=O)CN1CCOC[C@@H]1C(N)=O)c1ccccc1 ZINC000092230253 436468324 /nfs/dbraw/zinc/46/83/24/436468324.db2.gz BYEZPDQCOAZLKC-JKSUJKDBSA-N 0 0 333.432 0.729 10 0 ECAERN CC(=O)N[C@@H]1CCCN(S(=O)(=O)c2cccc3nsnc32)C1 ZINC000096998440 436536765 /nfs/dbraw/zinc/53/67/65/436536765.db2.gz KGJSIYMUFOYYFM-SNVBAGLBSA-N 0 0 340.430 0.981 10 0 ECAERN CC(=O)N[C@@H]1CCCN(C(=O)C(=O)NCCCc2ccccc2)C1 ZINC000104854022 436566574 /nfs/dbraw/zinc/56/65/74/436566574.db2.gz QVRVQMHEPMIZIA-MRXNPFEDSA-N 0 0 331.416 0.863 10 0 ECAERN CN(C)C(=O)Cc1ccc(NC(=O)NC[C@H]2CN(C)CCO2)cc1 ZINC000105281731 436570821 /nfs/dbraw/zinc/57/08/21/436570821.db2.gz PUCXPWNHUNIPEX-HNNXBMFYSA-N 0 0 334.420 0.769 10 0 ECAERN CC(=O)N1CCC[C@@H](C(=O)N2CCCN(c3cccnn3)CC2)C1 ZINC000105810376 436580087 /nfs/dbraw/zinc/58/00/87/436580087.db2.gz JTOHZPXSDFFCHU-OAHLLOKOSA-N 0 0 331.420 0.774 10 0 ECAERN Cc1ncc(CN2CCN(CCCN3C(=O)CNC3=O)CC2)s1 ZINC000105814787 436580465 /nfs/dbraw/zinc/58/04/65/436580465.db2.gz RPOPFYBLBLFMIR-UHFFFAOYSA-N 0 0 337.449 0.511 10 0 ECAERN CC(C)(C)n1cc(CN2CCN(CC(=O)N3CCNC3=O)CC2)cn1 ZINC000105866055 436583180 /nfs/dbraw/zinc/58/31/80/436583180.db2.gz PWAJYUVHDSJSSZ-UHFFFAOYSA-N 0 0 348.451 0.308 10 0 ECAERN COCCc1noc(CN2CCN(Cc3c(C)nn(C)c3C)CC2)n1 ZINC000105866028 436583372 /nfs/dbraw/zinc/58/33/72/436583372.db2.gz JMZVNLVQEKHOFR-UHFFFAOYSA-N 0 0 348.451 0.927 10 0 ECAERN C[C@@H](C(=O)Nc1ncccn1)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000105869573 436583699 /nfs/dbraw/zinc/58/36/99/436583699.db2.gz XUHHXCQVKSTXTR-AWEZNQCLSA-N 0 0 343.435 0.745 10 0 ECAERN Cc1nn(C)c(C)c1[C@H]1CCCN1CC(=O)NCC(=O)N1CCCC1 ZINC000105895531 436584587 /nfs/dbraw/zinc/58/45/87/436584587.db2.gz WXBYODGCOOOPAO-OAHLLOKOSA-N 0 0 347.463 0.912 10 0 ECAERN CCCCOC(=O)CCN1CCN(c2ccc3nncn3n2)CC1 ZINC000105911320 436587766 /nfs/dbraw/zinc/58/77/66/436587766.db2.gz PGHACQUYGHIBPF-UHFFFAOYSA-N 0 0 332.408 0.980 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)Cn2c(=O)cnc3ccccc32)CC1 ZINC000106394417 436593533 /nfs/dbraw/zinc/59/35/33/436593533.db2.gz NCKVLROKKJSZJU-AWEZNQCLSA-N 0 0 344.415 0.312 10 0 ECAERN O=C(CCNC(=O)c1cccs1)N1CCO[C@H](Cn2cccn2)C1 ZINC000111088114 436629427 /nfs/dbraw/zinc/62/94/27/436629427.db2.gz QFVBZJJZJNOVHB-ZDUSSCGKSA-N 0 0 348.428 0.992 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)c1ccc3c(c1)C(=O)NC3=O)CC2 ZINC000114890631 436644659 /nfs/dbraw/zinc/64/46/59/436644659.db2.gz LZUHUNRARWYBOC-SNVBAGLBSA-N 0 0 339.355 0.469 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)CCNC(=O)c1ccco1)CC2 ZINC000114862382 436644731 /nfs/dbraw/zinc/64/47/31/436644731.db2.gz KAOUSPGTWHJJCQ-NSHDSACASA-N 0 0 331.376 0.685 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)N[C@@H](C)CN1CCOCC1)CC2 ZINC000114928250 436645096 /nfs/dbraw/zinc/64/50/96/436645096.db2.gz UADWCKZSJFAPST-STQMWFEESA-N 0 0 336.440 0.175 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)N[C@@H]1CCN(C(C)C)C1=O)CC2 ZINC000114970212 436646050 /nfs/dbraw/zinc/64/60/50/436646050.db2.gz NVJPUPKJCONCMM-NWDGAFQWSA-N 0 0 334.424 0.464 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)c2cccc(-n3cncn3)c2)CC1 ZINC000115373250 436646547 /nfs/dbraw/zinc/64/65/47/436646547.db2.gz RTJZHRAJFVBHTE-INIZCTEOSA-N 0 0 329.404 0.796 10 0 ECAERN Cn1cc([C@@H]2CCN(CC(=O)NC(=O)NCC(F)(F)F)C2)cn1 ZINC000116323484 436650151 /nfs/dbraw/zinc/65/01/51/436650151.db2.gz ZFMAUAPSUQZLPX-SECBINFHSA-N 0 0 333.314 0.598 10 0 ECAERN Cn1c2cc(C(=O)N3CCN(c4ncccn4)CC3)ccc2oc1=O ZINC000064894417 436650429 /nfs/dbraw/zinc/65/04/29/436650429.db2.gz PUNGIEJYMXOKRX-UHFFFAOYSA-N 0 0 339.355 0.884 10 0 ECAERN Cn1ncc(N2CCC[C@H](C(=O)NCCc3ccccn3)C2)cc1=O ZINC000065313769 436654943 /nfs/dbraw/zinc/65/49/43/436654943.db2.gz RTCPKWXCTVYSSJ-AWEZNQCLSA-N 0 0 341.415 0.751 10 0 ECAERN CCc1ccc([C@H](C)NC(=O)Cn2cc(S(N)(=O)=O)cn2)cc1 ZINC000120477521 436690141 /nfs/dbraw/zinc/69/01/41/436690141.db2.gz KKVNIRSRYMVYQA-NSHDSACASA-N 0 0 336.417 0.970 10 0 ECAERN CCCN(C)S(=O)(=O)N1CCO[C@H](Cn2nc(C)cc2C)C1 ZINC000120501217 436690239 /nfs/dbraw/zinc/69/02/39/436690239.db2.gz POJRRBJMFHHICW-AWEZNQCLSA-N 0 0 330.454 0.787 10 0 ECAERN CCC(=O)N1CC[C@H](C(=O)N2CCCN(c3cccnn3)CC2)C1 ZINC000151103403 436696536 /nfs/dbraw/zinc/69/65/36/436696536.db2.gz CRBNWNVZUTYGAX-AWEZNQCLSA-N 0 0 331.420 0.774 10 0 ECAERN CN1C(=O)CO[C@@H](C(=O)NCC2(CO)CCC2)[C@H]1c1ccccc1 ZINC000223251913 436704217 /nfs/dbraw/zinc/70/42/17/436704217.db2.gz PQILCJCZYGLDMT-HZPDHXFCSA-N 0 0 332.400 0.864 10 0 ECAERN O=C(Nc1cccc(Cl)c1-n1cncn1)C(=O)N1CCC[C@@H]1CO ZINC000121233411 436709495 /nfs/dbraw/zinc/70/94/95/436709495.db2.gz BLFQHXLSVMUGLA-SNVBAGLBSA-N 0 0 349.778 0.843 10 0 ECAERN O=C1NCCc2ccc(S(=O)(=O)NC[C@@H]3CCCC[C@@H]3O)cc21 ZINC000121310452 436711366 /nfs/dbraw/zinc/71/13/66/436711366.db2.gz PGDILYKYLOCAES-WFASDCNBSA-N 0 0 338.429 0.802 10 0 ECAERN CCCCn1c(N)c(N(C)Cc2nnc(C(C)C)n2C)c(=O)[nH]c1=O ZINC000195046377 436677626 /nfs/dbraw/zinc/67/76/26/436677626.db2.gz OMZZMYPAISJJET-UHFFFAOYSA-N 0 0 349.439 0.807 10 0 ECAERN COC(=O)[C@@H]1CCCCN1C(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000195183816 436682969 /nfs/dbraw/zinc/68/29/69/436682969.db2.gz AELUXNZWHVLNEC-ZJUUUORDSA-N 0 0 336.310 0.951 10 0 ECAERN CCc1nccn1[C@@H]1CCCN(C(=O)NCCNS(C)(=O)=O)C1 ZINC000152104880 436719868 /nfs/dbraw/zinc/71/98/68/436719868.db2.gz IIECNXNXIDQTJE-GFCCVEGCSA-N 0 0 343.453 0.341 10 0 ECAERN CN(C)C(=O)CN(C)C(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 ZINC000124308910 436748069 /nfs/dbraw/zinc/74/80/69/436748069.db2.gz LJRQXICCMKGGPF-XJKSGUPXSA-N 0 0 335.379 0.892 10 0 ECAERN CN1CCO[C@@H](CNS(=O)(=O)c2c[nH]c3nccc(Cl)c23)C1 ZINC000155989448 436808785 /nfs/dbraw/zinc/80/87/85/436808785.db2.gz SXHVZYKORLOAAL-VIFPVBQESA-N 0 0 344.824 0.825 10 0 ECAERN CC[C@H]1CN(C(=O)C(=O)Nc2cc(C)cc(C)n2)CCN1C[C@H](C)O ZINC000248716288 436809687 /nfs/dbraw/zinc/80/96/87/436809687.db2.gz BLRFBMSBRRJCGD-GJZGRUSLSA-N 0 0 348.447 0.941 10 0 ECAERN CC[C@@H](Oc1ccccc1C)C(=O)NC[C@@H](O)CN1CCOCC1 ZINC000128030469 436810683 /nfs/dbraw/zinc/81/06/83/436810683.db2.gz UNUATPLMKUJWMD-HZPDHXFCSA-N 0 0 336.432 0.962 10 0 ECAERN CC[C@@H](Oc1ccccc1F)C(=O)NC[C@H](O)CN1CCOCC1 ZINC000128112702 436811787 /nfs/dbraw/zinc/81/17/87/436811787.db2.gz MINZRTWAEONYGP-DZGCQCFKSA-N 0 0 340.395 0.792 10 0 ECAERN CNC(=O)c1cccc(CCNC(=O)NC[C@@H]2CN(C)CCO2)c1 ZINC000128164630 436813068 /nfs/dbraw/zinc/81/30/68/436813068.db2.gz WFXRWTJNWDJZBX-OAHLLOKOSA-N 0 0 334.420 0.219 10 0 ECAERN CCC1(CC)CN(CC(=O)N2CCC[C@@H](C(N)=O)C2)CC[S@]1=O ZINC000249053424 436815383 /nfs/dbraw/zinc/81/53/83/436815383.db2.gz XCVOKXQPEHEOMN-JCQPUDPBSA-N 0 0 343.493 0.333 10 0 ECAERN CNC(=O)[C@@H]1CCCN1C(=O)NCc1ccc(-n2ccnc2C)nc1 ZINC000156450901 436816399 /nfs/dbraw/zinc/81/63/99/436816399.db2.gz ONQCROUHUNVWHT-AWEZNQCLSA-N 0 0 342.403 0.996 10 0 ECAERN CCN(Cc1ccccc1)C(=O)CNC(=O)N1CCC[C@@H]1C(=O)NC ZINC000156592547 436817810 /nfs/dbraw/zinc/81/78/10/436817810.db2.gz VLFMOBJGCBICDG-OAHLLOKOSA-N 0 0 346.431 0.955 10 0 ECAERN Cc1cc(F)cc(NC(=O)C(=O)N2CCN(C[C@H](C)O)[C@@H](C)C2)c1 ZINC000246014574 436769858 /nfs/dbraw/zinc/76/98/58/436769858.db2.gz SMFGACOCCSPVFX-STQMWFEESA-N 0 0 337.395 0.986 10 0 ECAERN O=S(=O)(CCN1CCO[C@@H](Cn2cccn2)C1)C(F)(F)F ZINC000069464681 436773966 /nfs/dbraw/zinc/77/39/66/436773966.db2.gz OSBAOLZENBYALZ-SNVBAGLBSA-N 0 0 327.328 0.519 10 0 ECAERN CC(C)CC(=O)N[C@H](C(=O)NC[C@H]1CCCS1(=O)=O)C(C)C ZINC000154395004 436777282 /nfs/dbraw/zinc/77/72/82/436777282.db2.gz KDQNMIKKZMEMEX-OCCSQVGLSA-N 0 0 332.466 0.867 10 0 ECAERN NC(=O)[C@@H]1CC[C@@H](CNC(=O)N2CCC(Cn3cccn3)CC2)O1 ZINC000126248666 436785111 /nfs/dbraw/zinc/78/51/11/436785111.db2.gz KJVYDIJTIVBZPG-KBPBESRZSA-N 0 0 335.408 0.338 10 0 ECAERN Cc1ccc(NC(=O)C(=O)N2CCN(C[C@H](C)O)[C@@H](C)C2)cc1F ZINC000246883759 436787377 /nfs/dbraw/zinc/78/73/77/436787377.db2.gz DRTLIXCKMVFJRI-STQMWFEESA-N 0 0 337.395 0.986 10 0 ECAERN C[C@H](O)CN1CCN(C(=O)COCCOc2ccccc2)C[C@H]1C ZINC000246885650 436787685 /nfs/dbraw/zinc/78/76/85/436787685.db2.gz WXKBGAIPCCYMFQ-CVEARBPZSA-N 0 0 336.432 0.996 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)N[C@H](CCO)CSC)CC2 ZINC000155166895 436790987 /nfs/dbraw/zinc/79/09/87/436790987.db2.gz FHFMPRCDQUSWLS-WDEREUQCSA-N 0 0 327.454 0.569 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)N[C@@H](CCO)CSC)CC2 ZINC000155166666 436791686 /nfs/dbraw/zinc/79/16/86/436791686.db2.gz FHFMPRCDQUSWLS-QWRGUYRKSA-N 0 0 327.454 0.569 10 0 ECAERN C[C@@H](NC(=O)c1ccoc1)C(=O)N1CCC[C@H](Cn2cncn2)C1 ZINC000126810734 436793518 /nfs/dbraw/zinc/79/35/18/436793518.db2.gz WKWYISLNRZJMRQ-OLZOCXBDSA-N 0 0 331.376 0.928 10 0 ECAERN CN(C)S(=O)(=O)c1cc(C(=O)N[C@H]2CCCn3ncnc32)co1 ZINC000155577373 436797730 /nfs/dbraw/zinc/79/77/30/436797730.db2.gz GRZKKPCBSHSXLF-JTQLQIEISA-N 0 0 339.377 0.386 10 0 ECAERN Cc1cnn(CC(=O)N2C[C@@H](COc3ccccc3)[C@H](C(N)=O)C2)c1 ZINC000253411101 436843721 /nfs/dbraw/zinc/84/37/21/436843721.db2.gz OEVNMOIHOYBPDA-GOEBONIOSA-N 0 0 342.399 0.830 10 0 ECAERN CCNC(=O)C(C)(C)CNC(=O)N1CCN(CCOC)[C@@H](C)C1 ZINC000131140887 436847919 /nfs/dbraw/zinc/84/79/19/436847919.db2.gz DZSNQKVHUNIWEX-ZDUSSCGKSA-N 0 0 328.457 0.511 10 0 ECAERN CNC(=O)c1cncc(/C=C\C(=O)N2CCN(CCOC)[C@@H](C)C2)c1 ZINC000255001919 436848936 /nfs/dbraw/zinc/84/89/36/436848936.db2.gz NAMANNRREZUDOB-WSNITJDQSA-N 0 0 346.431 0.634 10 0 ECAERN CC[C@H](C)NC(=O)CN1CCN(Cc2c(C)nn(C)c2OC)CC1 ZINC000129113762 436824279 /nfs/dbraw/zinc/82/42/79/436824279.db2.gz MPAVCJMQZXPRGU-ZDUSSCGKSA-N 0 0 337.468 0.769 10 0 ECAERN CCN(Cc1nc2ccccc2c(=O)[nH]1)C[C@@H](O)CN1CCCC1=O ZINC000157817864 436833715 /nfs/dbraw/zinc/83/37/15/436833715.db2.gz ADUGGVZHUDAMRY-CYBMUJFWSA-N 0 0 344.415 0.728 10 0 ECAERN Cc1nn(C)c(Cl)c1S(=O)(=O)ON=C1C(=O)N(C)N=C1C ZINC000257351408 436876886 /nfs/dbraw/zinc/87/68/86/436876886.db2.gz DXNHBQKGGRCOJN-UHFFFAOYSA-N 0 0 333.757 0.291 10 0 ECAERN CC(C)C(=O)CNS(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC000133665344 436883909 /nfs/dbraw/zinc/88/39/09/436883909.db2.gz CXFSLJHSPXPWLD-UHFFFAOYSA-N 0 0 327.406 0.754 10 0 ECAERN CN1CCO[C@H](CNC(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)C1 ZINC000133986224 436889195 /nfs/dbraw/zinc/88/91/95/436889195.db2.gz NLSLRVUXHZNUFX-SECBINFHSA-N 0 0 334.298 0.846 10 0 ECAERN CCc1ccc(S(C)(=O)=O)cc1C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000134536623 436897686 /nfs/dbraw/zinc/89/76/86/436897686.db2.gz FPJZIVOGXGWWGM-GFCCVEGCSA-N 0 0 348.428 0.989 10 0 ECAERN O=C(N[C@H]1CCc2ncnn2C1)N1CCCN(CC(F)F)CC1 ZINC000162425006 436904983 /nfs/dbraw/zinc/90/49/83/436904983.db2.gz WJIDJESBECNTQZ-NSHDSACASA-N 0 0 328.367 0.575 10 0 ECAERN C[N@@H+](CC(=O)[O-])C[C@@H]1CN(S(=O)(=O)CC2CCCCC2)CCO1 ZINC000263459012 436967238 /nfs/dbraw/zinc/96/72/38/436967238.db2.gz CXNKLEQCERAGGY-CQSZACIVSA-N 0 0 348.465 0.614 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)N2CCCC[C@H]2CCO)C1 ZINC000263482634 436968830 /nfs/dbraw/zinc/96/88/30/436968830.db2.gz OKHRZZGYPAZPON-MOKVOYLWSA-N 0 0 327.425 0.870 10 0 ECAERN CCCC(=O)N[C@H]1CCCN(C(=O)NCCCC(=O)N(C)C)C1 ZINC000171181596 436969764 /nfs/dbraw/zinc/96/97/64/436969764.db2.gz XKAXOVDVKMBCHF-ZDUSSCGKSA-N 0 0 326.441 0.945 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)CCOC[C@@H]2CCCO2)C1 ZINC000262699513 436940615 /nfs/dbraw/zinc/94/06/15/436940615.db2.gz HKNMRRRZRICMHW-RUXDESIVSA-N 0 0 328.409 0.626 10 0 ECAERN CCOC(=O)C1CCN(C(=O)C(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000170331300 436944896 /nfs/dbraw/zinc/94/48/96/436944896.db2.gz IFICQEJENDGZTL-VXGBXAGGSA-N 0 0 326.393 0.424 10 0 ECAERN Cc1ccn2c(c1)ncc(C(=O)N1CC[C@@H](N3CCOCC3)C1)c2=O ZINC000172763404 437028602 /nfs/dbraw/zinc/02/86/02/437028602.db2.gz NAOXJSJSUPZQNO-CQSZACIVSA-N 0 0 342.399 0.550 10 0 ECAERN O=C(CCCCN1CCOCC1)N1CC[C@@H](N2CCOCC2)C1 ZINC000172759300 437028658 /nfs/dbraw/zinc/02/86/58/437028658.db2.gz XOXOQNBIAFEQNK-MRXNPFEDSA-N 0 0 325.453 0.422 10 0 ECAERN Cc1nc(CN2CCCN(C(=O)c3ccc4n[nH]nc4c3)CC2)no1 ZINC000171759846 436987693 /nfs/dbraw/zinc/98/76/93/436987693.db2.gz BXAOHJSQLHCDOG-UHFFFAOYSA-N 0 0 341.375 0.997 10 0 ECAERN CN1C(=O)CC[C@H](C(=O)N2CCNC(=O)CC2)[C@@H]1c1ccccc1 ZINC000171801375 436989421 /nfs/dbraw/zinc/98/94/21/436989421.db2.gz ALMVZYQBOVBYNG-YOEHRIQHSA-N 0 0 329.400 0.945 10 0 ECAERN CC[C@H]1CN(C(=O)c2ccc(-n3cnnn3)cc2)CCN1CCOC ZINC000172233060 437006066 /nfs/dbraw/zinc/00/60/66/437006066.db2.gz FKSQSLODDLGEPX-HNNXBMFYSA-N 0 0 344.419 0.845 10 0 ECAERN CCOCCN1CCN(S(=O)(=O)CC2CCOCC2)C[C@@H]1C ZINC000173166917 437040563 /nfs/dbraw/zinc/04/05/63/437040563.db2.gz KZBXVGLIQQEPIO-AWEZNQCLSA-N 0 0 334.482 0.785 10 0 ECAERN Cc1cc(N2CCC[C@H](NC(=O)N[C@@H]3CCCOC3)C2=O)n(C)n1 ZINC000173186211 437041542 /nfs/dbraw/zinc/04/15/42/437041542.db2.gz UZNUNTYDXVPYGH-OLZOCXBDSA-N 0 0 335.408 0.702 10 0 ECAERN CNc1cc(N2CCC[C@H]2CNC(=O)c2ccc(=O)n(C)n2)ncn1 ZINC000173443951 437049544 /nfs/dbraw/zinc/04/95/44/437049544.db2.gz VWIJIZXBXLRAMK-NSHDSACASA-N 0 0 343.391 0.011 10 0 ECAERN CNc1cc(N2CCC[C@H]2CNC(=O)c2cn(C)nc2C)ncn1 ZINC000173448043 437050838 /nfs/dbraw/zinc/05/08/38/437050838.db2.gz SLQDPFZYCKQISX-LBPRGKRZSA-N 0 0 329.408 0.959 10 0 ECAERN CCc1nnc([C@@H]2CN(C(=O)CCCC(=O)NC(C)C)CCO2)[nH]1 ZINC000173571857 437056845 /nfs/dbraw/zinc/05/68/45/437056845.db2.gz BODHOXGMZIUNBI-LBPRGKRZSA-N 0 0 337.424 0.962 10 0 ECAERN Cc1ccccc1C(=O)NCC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000173763970 437061081 /nfs/dbraw/zinc/06/10/81/437061081.db2.gz GDAYFZIULRLAHA-HNNXBMFYSA-N 0 0 331.416 0.658 10 0 ECAERN Cc1nnc([C@H]2CN(S(=O)(=O)c3ccc(Cl)nc3)CCO2)[nH]1 ZINC000173733656 437062690 /nfs/dbraw/zinc/06/26/90/437062690.db2.gz YPCRAYDVOOYPNI-SNVBAGLBSA-N 0 0 343.796 0.924 10 0 ECAERN Cc1cccc(OCCNC(=O)CN2CC[C@@H](N3CCOCC3)C2)c1 ZINC000173923420 437068165 /nfs/dbraw/zinc/06/81/65/437068165.db2.gz NWRPVXNEHXVYCR-QGZVFWFLSA-N 0 0 347.459 0.897 10 0 ECAERN COc1cccc(CNC(=O)CN2CC[C@H](N3CCOCC3)C2)c1 ZINC000173948104 437071606 /nfs/dbraw/zinc/07/16/06/437071606.db2.gz SGMJWQWGVZJGQJ-INIZCTEOSA-N 0 0 333.432 0.718 10 0 ECAERN O=C(Nc1ccc(F)cc1F)C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000174008543 437072226 /nfs/dbraw/zinc/07/22/26/437072226.db2.gz UBJBNZJEQLFLGQ-LBPRGKRZSA-N 0 0 339.342 0.836 10 0 ECAERN O=C1C[C@@H](N2CC[C@H](N3CCOCC3)C2)C(=O)N1Cc1ccccc1 ZINC000174005959 437073453 /nfs/dbraw/zinc/07/34/53/437073453.db2.gz VQEYINDDTQVJQH-DLBZAZTESA-N 0 0 343.427 0.721 10 0 ECAERN CCn1cc(CN2CCCN(C(=O)[C@H]3CN(C)CCO3)CC2)cn1 ZINC000174654994 437085255 /nfs/dbraw/zinc/08/52/55/437085255.db2.gz ZZZWQZPOSSSZDJ-MRXNPFEDSA-N 0 0 335.452 0.268 10 0 ECAERN NC(=O)[C@@H]1COCCN1C(=O)c1ccc(N2CCCCCC2)nc1 ZINC000091810816 303307578 /nfs/dbraw/zinc/30/75/78/303307578.db2.gz JHNVHUQNABRDML-AWEZNQCLSA-N 0 0 332.404 0.788 10 0 ECAERN C[C@H]1CN(C(=O)NCc2cccc(C(N)=O)c2)C[C@H]1N1CCOCC1 ZINC000175671500 437112536 /nfs/dbraw/zinc/11/25/36/437112536.db2.gz OSKNZOYYQZBIDZ-XJKSGUPXSA-N 0 0 346.431 0.648 10 0 ECAERN CNC(=O)c1cccc(C(=O)N2C[C@@H](C(N)=O)[C@H](C(F)(F)F)C2)c1 ZINC000299740524 437106874 /nfs/dbraw/zinc/10/68/74/437106874.db2.gz BJIRSXJKTICVJR-GHMZBOCLSA-N 0 0 343.305 0.782 10 0 ECAERN Cc1cc(N2CCC[C@@H](NS(=O)(=O)CCCF)C2=O)n(C)n1 ZINC000175598459 437110688 /nfs/dbraw/zinc/11/06/88/437110688.db2.gz JLCDKKNWTKVRLE-LLVKDONJSA-N 0 0 332.401 0.503 10 0 ECAERN Cc1cnc(N(C)Cc2ncnn2C)nc1N(C)Cc1ncnn1C ZINC000301585261 437124491 /nfs/dbraw/zinc/12/44/91/437124491.db2.gz VAMINANNTDXRSJ-UHFFFAOYSA-N 0 0 342.411 0.315 10 0 ECAERN CCOCCNC(=O)CN1CCN([C@H](C)c2nc(CC)no2)CC1 ZINC000175961508 437126229 /nfs/dbraw/zinc/12/62/29/437126229.db2.gz JEFPUXKJQFKNQJ-CYBMUJFWSA-N 0 0 339.440 0.463 10 0 ECAERN NC(=O)[C@H]1COCCN1c1nn2cc(-c3cccnc3)nc2s1 ZINC000302171211 437140466 /nfs/dbraw/zinc/14/04/66/437140466.db2.gz PXYHBJMFALDYQR-LLVKDONJSA-N 0 0 330.373 0.543 10 0 ECAERN CCN(CC)S(=O)(=O)CC(=O)N1CCC[C@H]1Cn1ccnc1C ZINC000177222898 437173557 /nfs/dbraw/zinc/17/35/57/437173557.db2.gz PVNNSISVEBEDQK-AWEZNQCLSA-N 0 0 342.465 0.854 10 0 ECAERN O=C(Nc1ccc(Cl)nc1)C(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000177653225 437193682 /nfs/dbraw/zinc/19/36/82/437193682.db2.gz OZJPXOCPUJUDFW-GFCCVEGCSA-N 0 0 349.778 0.798 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)C(=O)Nc1ccccc1OC)CC2 ZINC000177642950 437194686 /nfs/dbraw/zinc/19/46/86/437194686.db2.gz MQCCYTZIKKSZMH-NSHDSACASA-N 0 0 343.387 0.919 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)C(=O)Nc1cccc(OC)c1)CC2 ZINC000177636549 437194863 /nfs/dbraw/zinc/19/48/63/437194863.db2.gz SWNNLVWPFVSZQB-LBPRGKRZSA-N 0 0 343.387 0.919 10 0 ECAERN CNC(=O)[C@H](NC(=O)NCCCN(C)CC(F)(F)F)C(C)C ZINC000178418254 437213154 /nfs/dbraw/zinc/21/31/54/437213154.db2.gz UMNBGUHEVYWQLU-SNVBAGLBSA-N 0 0 326.363 0.940 10 0 ECAERN Cn1nccc1S(=O)(=O)N1C[C@H](CO)[C@H](c2ccsc2)C1 ZINC000328610172 437239024 /nfs/dbraw/zinc/23/90/24/437239024.db2.gz GTOMSNUHFHEKQL-NEPJUHHUSA-N 0 0 327.431 0.878 10 0 ECAERN CN1CCN(S(=O)(=O)C[C@@H]2CCCCO2)C[C@@H]1c1ncc[nH]1 ZINC000328617625 437240185 /nfs/dbraw/zinc/24/01/85/437240185.db2.gz CYAVVTAHLXNLMT-QWHCGFSZSA-N 0 0 328.438 0.597 10 0 ECAERN CN1CCN(S(=O)(=O)c2cccc(C(N)=O)c2)C[C@@H]1c1ncc[nH]1 ZINC000328625514 437242108 /nfs/dbraw/zinc/24/21/08/437242108.db2.gz KUZVNAAYWYBQAQ-CYBMUJFWSA-N 0 0 349.416 0.970 10 0 ECAERN CCc1nnc2n1CCN(C1CN(C(=O)c3ccc(C)nc3)C1)C2 ZINC000328626512 437242373 /nfs/dbraw/zinc/24/23/73/437242373.db2.gz FDWOFOPLDODGGY-UHFFFAOYSA-N 0 0 326.404 0.884 10 0 ECAERN CCCn1nnnc1CN1CCN(c2cncc3nc(C)nn32)CC1 ZINC000328643505 437246136 /nfs/dbraw/zinc/24/61/36/437246136.db2.gz RIAITDIICUMJAT-UHFFFAOYSA-N 0 0 342.411 0.151 10 0 ECAERN CCn1cnnc1[C@H]1CN(CC(=O)N2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC000328642550 437247612 /nfs/dbraw/zinc/24/76/12/437247612.db2.gz RCNWPRDGWWMMAF-HZSPNIEDSA-N 0 0 337.424 0.307 10 0 ECAERN Nc1ccc(N[C@H]2CCCN(C(=O)CCn3cncn3)CC2)cn1 ZINC000328656884 437248750 /nfs/dbraw/zinc/24/87/50/437248750.db2.gz ZSTLBCYYJAMJNO-ZDUSSCGKSA-N 0 0 329.408 1.139 10 0 ECAERN Cc1nc(S(=O)(=O)N[C@H]2CCO[C@H]2C)c(Br)n1C ZINC000287883797 437248884 /nfs/dbraw/zinc/24/88/84/437248884.db2.gz QWENKKOKAYLLGM-XPUUQOCRSA-N 0 0 338.227 0.947 10 0 ECAERN CN(Cc1nccc(N)n1)[C@H]1CCN(C(=O)N[C@H]2CC[C@H](O)CC2)C1 ZINC000332998389 437257771 /nfs/dbraw/zinc/25/77/71/437257771.db2.gz AYBXDBZAZXVMGN-MELADBBJSA-N 0 0 348.451 0.578 10 0 ECAERN C[C@H](CNC(=O)N(C)Cc1ncc(Cl)n1C)N1CCOCC1 ZINC000180491709 437292207 /nfs/dbraw/zinc/29/22/07/437292207.db2.gz NCEGFVFCLDITNO-LLVKDONJSA-N 0 0 329.832 0.936 10 0 ECAERN COC[C@H](O)CCNC(=O)N[C@H]1CCc2nnc(C(C)C)n2C1 ZINC000181720517 437328333 /nfs/dbraw/zinc/32/83/33/437328333.db2.gz LPRZFCWJMDIOBD-NWDGAFQWSA-N 0 0 325.413 0.413 10 0 ECAERN COc1cccc(CN2CCS(=O)(=O)C[C@@H]2c2cnn(C)c2)n1 ZINC000279378979 437401364 /nfs/dbraw/zinc/40/13/64/437401364.db2.gz XSMGFPWEJJUUEQ-CQSZACIVSA-N 0 0 336.417 0.795 10 0 ECAERN COCC(=O)NC1CN(C(=O)c2ccc(-c3ccccc3)[nH]c2=O)C1 ZINC000186310672 437470222 /nfs/dbraw/zinc/47/02/22/437470222.db2.gz SQDWATCCSFISPE-UHFFFAOYSA-N 0 0 341.367 0.629 10 0 ECAERN Cn1c(CN2CCOC[C@@H]2C(N)=O)nnc1-c1ccc(Cl)cc1 ZINC000186460097 437472489 /nfs/dbraw/zinc/47/24/89/437472489.db2.gz IBWAZFSVIWYIGY-GFCCVEGCSA-N 0 0 335.795 0.822 10 0 ECAERN O=C(NCCNC(=O)N1CC(NC(=O)C2CC2)C1)c1ccc(F)cc1 ZINC000186510735 437475521 /nfs/dbraw/zinc/47/55/21/437475521.db2.gz ZXNAQXCJWUPMOD-UHFFFAOYSA-N 0 0 348.378 0.476 10 0 ECAERN Cc1nnc([C@@H]2CN(C(=O)c3ccc4nnn(C)c4c3)CCO2)[nH]1 ZINC000185361066 437436838 /nfs/dbraw/zinc/43/68/38/437436838.db2.gz PTFCAKTUNFHGRV-ZDUSSCGKSA-N 0 0 327.348 0.609 10 0 ECAERN CC(C)[C@@H](O)CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCOCC1 ZINC000185398810 437437177 /nfs/dbraw/zinc/43/71/77/437437177.db2.gz DNVXGYGJUUEAQU-SJORKVTESA-N 0 0 348.443 0.980 10 0 ECAERN COCC(=O)NC1CN(C(=O)N[C@@H](C)C[N@H+](C)Cc2ccccc2)C1 ZINC000185771651 437451027 /nfs/dbraw/zinc/45/10/27/437451027.db2.gz LXASSPPNHJZJJK-AWEZNQCLSA-N 0 0 348.447 0.663 10 0 ECAERN COCCCN(CCO)C(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000187195767 437493545 /nfs/dbraw/zinc/49/35/45/437493545.db2.gz LRUJANRQRFZNMV-CYBMUJFWSA-N 0 0 339.440 0.757 10 0 ECAERN C[C@@H]1C(=O)NCCCN1C(=O)c1ccc(-n2cnnn2)cc1Cl ZINC000188085800 437523856 /nfs/dbraw/zinc/52/38/56/437523856.db2.gz ZSPJEVQJOJBRGF-SECBINFHSA-N 0 0 334.767 0.666 10 0 ECAERN CCOC(=O)c1nn(C)cc1CN1CCOC[C@@H]1c1nc(C)no1 ZINC000188484737 437551659 /nfs/dbraw/zinc/55/16/59/437551659.db2.gz PCPZSOVBWJMQOL-GFCCVEGCSA-N 0 0 335.364 0.862 10 0 ECAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188889552 437575251 /nfs/dbraw/zinc/57/52/51/437575251.db2.gz VUOIMENTDRFARD-ZDUSSCGKSA-N 0 0 332.408 0.732 10 0 ECAERN CN(C)c1cccc(CCC(=O)NC[C@@H](O)CN2CCOCC2)c1 ZINC000189043769 437583764 /nfs/dbraw/zinc/58/37/64/437583764.db2.gz DONRHJXINBDLRX-QGZVFWFLSA-N 0 0 335.448 0.495 10 0 ECAERN Cn1nc(Br)cc1C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000192121931 437666850 /nfs/dbraw/zinc/66/68/50/437666850.db2.gz MHBCPPYDPPYPPI-VIFPVBQESA-N 0 0 331.214 0.585 10 0 ECAERN COCCn1cc(CN2C[C@@H](OC)C[C@H]2C(=O)N2CCCC2)cn1 ZINC000344024853 437718472 /nfs/dbraw/zinc/71/84/72/437718472.db2.gz WKKIDAOTUZKAAZ-HOTGVXAUSA-N 0 0 336.436 0.741 10 0 ECAERN C[C@@H](O)C[C@H]1COCCN1C(=O)N[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000366467391 438079250 /nfs/dbraw/zinc/07/92/50/438079250.db2.gz SJPQLVFMFFTNJO-XJFOESAGSA-N 0 0 348.465 0.524 10 0 ECAERN CNC(=O)c1ccc(NC[C@@H]2C[C@H](F)CN2Cc2cc(C)no2)nn1 ZINC000367825035 438253678 /nfs/dbraw/zinc/25/36/78/438253678.db2.gz IFNNMNFWSNYAMR-RYUDHWBXSA-N 0 0 348.382 1.157 10 0 ECAERN COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000389233715 438427770 /nfs/dbraw/zinc/42/77/70/438427770.db2.gz YDBNORKUERYECY-FXPVBKGRSA-N 0 0 345.339 0.657 10 0 ECAERN COC(=O)[C@H]1CCC[C@H]1S(=O)(=O)N1CCN(C2CCC2)CC1 ZINC000378687501 438410760 /nfs/dbraw/zinc/41/07/60/438410760.db2.gz WVHJYHHTUWMPKZ-UONOGXRCSA-N 0 0 330.450 0.828 10 0 ECAERN O=C(Cn1ccccc1=O)N1CC[C@@H](Nc2ccc3nccn3n2)C1 ZINC000580107582 439066581 /nfs/dbraw/zinc/06/65/81/439066581.db2.gz JBZCIDGBVPYCIB-CYBMUJFWSA-N 0 0 338.371 0.604 10 0 ECAERN CCc1cc(C(=O)N[C@@H]2CCC(=O)N(C)[C@H]2c2cncn2C)[nH]n1 ZINC000583619177 439489398 /nfs/dbraw/zinc/48/93/98/439489398.db2.gz MPMSFCBQVCVJKA-IAQYHMDHSA-N 0 0 330.392 0.798 10 0 ECAERN CC(=O)N[C@H]1CCCN(C(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)C1 ZINC000585976501 439656553 /nfs/dbraw/zinc/65/65/53/439656553.db2.gz BKJAFPAEBXJNCU-AAEUAGOBSA-N 0 0 343.383 0.798 10 0 ECAERN NC(=O)c1cccc([C@H]2CNc3ccccc3N2S(N)(=O)=O)c1 ZINC000616690735 439820892 /nfs/dbraw/zinc/82/08/92/439820892.db2.gz GLVYEOZRFXVPDC-CQSZACIVSA-N 0 0 332.385 0.962 10 0 ECAERN CNC(=O)/C=C/CNC(=O)[C@H]1CC(=O)N(c2cccc(OC)c2)C1 ZINC000618254136 440089180 /nfs/dbraw/zinc/08/91/80/440089180.db2.gz GDBYSWQFUYLTEX-NTYUQYKDSA-N 0 0 331.372 0.467 10 0 ECAERN COc1cccc2c1CCN(C(=O)CN1CCCC[C@H](O)C1=O)C2 ZINC000644424424 440582858 /nfs/dbraw/zinc/58/28/58/440582858.db2.gz AITMTLXTXAQDQD-HNNXBMFYSA-N 0 0 332.400 0.953 10 0 ECAERN O=C(CNC(=O)c1ccc(Br)o1)N[C@H]1CCOC[C@@H]1O ZINC000629218791 440634744 /nfs/dbraw/zinc/63/47/44/440634744.db2.gz UWWDGOFIXILMGP-YUMQZZPRSA-N 0 0 347.165 0.038 10 0 ECAERN CN(CC(N)=O)C[C@H]1CN(Cc2cccc3c2CCOC3)CCO1 ZINC000639626593 440749510 /nfs/dbraw/zinc/74/95/10/440749510.db2.gz UFORDHKGAQKSIG-INIZCTEOSA-N 0 0 333.432 0.377 10 0 ECAERN C[C@@](NC[C@@H](O)CN1CCCC1=O)(C(N)=O)c1cccc(Cl)c1 ZINC000127225337 320470198 /nfs/dbraw/zinc/47/01/98/320470198.db2.gz WWSOCSJNVRFXEB-CJNGLKHVSA-N 0 0 339.823 0.613 10 0 ECAERN COCCCOCC(=O)N1CCN(Cc2c(C)nn(C)c2C)CC1 ZINC000180815182 320524860 /nfs/dbraw/zinc/52/48/60/320524860.db2.gz JFTCQJSNFFBPOA-UHFFFAOYSA-N 0 0 338.452 0.734 10 0 ECAERN Cc1cc(C)n(CC(=O)N2CC[C@@](O)(c3cn(C(C)C)nn3)C2)n1 ZINC000284762601 320636527 /nfs/dbraw/zinc/63/65/27/320636527.db2.gz JBQAFUWMXSZJGD-INIZCTEOSA-N 0 0 332.408 0.792 10 0 ECAERN CC(C)c1nnc2n1CCN([C@H]1CCN(C3CCOCC3)C1=O)C2 ZINC000328643662 320724977 /nfs/dbraw/zinc/72/49/77/320724977.db2.gz GLEAESWTOVQXHV-AWEZNQCLSA-N 0 0 333.436 0.997 10 0 ECAERN O=C(N1CCn2c(nnc2-c2cccnc2)C1)[C@@]1(O)CCSC1 ZINC000329026719 320749002 /nfs/dbraw/zinc/74/90/02/320749002.db2.gz JWJBCVHJOAOOAJ-OAHLLOKOSA-N 0 0 331.401 0.550 10 0 ECAERN Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)[C@@H](C)N1CCOCC1 ZINC000329183801 320758750 /nfs/dbraw/zinc/75/87/50/320758750.db2.gz PNAWOCPCQZQVAE-CABCVRRESA-N 0 0 336.436 0.658 10 0 ECAERN CNS(=O)(=O)C[C@H]1CCCN1C(=O)C[C@@H]1CCCCNC1=O ZINC000329286461 320764245 /nfs/dbraw/zinc/76/42/45/320764245.db2.gz ORSOLCVBJRRIRH-NWDGAFQWSA-N 0 0 331.438 0.673 10 0 ECAERN O=C(C1CCCC1)N1CCC[C@@H]1C(=O)N1CCN2CCOC[C@H]2C1 ZINC000329664894 320783995 /nfs/dbraw/zinc/78/39/95/320783995.db2.gz KCOMHDCDXNPRIX-HZPDHXFCSA-N 0 0 335.448 0.711 10 0 ECAERN O=C(Cn1ncc(=O)c2ccccc21)N1CC[C@H](N2CCOCC2)C1 ZINC000329729546 320786994 /nfs/dbraw/zinc/78/69/94/320786994.db2.gz HQIRGMZDVCPWSY-AWEZNQCLSA-N 0 0 342.399 0.330 10 0 ECAERN CC(=O)N1C[C@H](CCC(=O)N2C[C@@H](O)C[C@@H]2CO)c2ccccc21 ZINC000329853601 320791937 /nfs/dbraw/zinc/79/19/37/320791937.db2.gz VPSWHMCLZOSFAU-ZNMIVQPWSA-N 0 0 332.400 0.871 10 0 ECAERN Cc1nc(S(=O)(=O)NC[C@@H]2CN(C3CC3)CCO2)sc1C ZINC000330232117 320811610 /nfs/dbraw/zinc/81/16/10/320811610.db2.gz XFBORCLKNKBADI-GFCCVEGCSA-N 0 0 331.463 0.901 10 0 ECAERN Cn1ccnc1N1CCN(CC(=O)N2CCC[C@@H](C(N)=O)C2)CC1 ZINC000333127743 320912980 /nfs/dbraw/zinc/91/29/80/320912980.db2.gz WCTHYMYEKIAGSJ-CYBMUJFWSA-N 0 0 334.424 0.316 10 0 ECAERN CNC(=O)[C@@H]1CCCN1C(=O)N[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000368355634 321724534 /nfs/dbraw/zinc/72/45/34/321724534.db2.gz QHQFBSXSERHRHC-GRYCIOLGSA-N 0 0 331.438 0.262 10 0 ECAERN Cc1cc(N2CCC[C@H](NC(=O)N3CCSCC3)C2=O)n(C)n1 ZINC000173558201 533895623 /nfs/dbraw/zinc/89/56/23/533895623.db2.gz YZFMKCNJVNNLTI-LBPRGKRZSA-N 0 0 337.449 0.982 10 0 ECAERN Nc1ncc(Cl)cc1S(=O)(=O)N1CC(NC(=O)C2CC2)C1 ZINC000187919621 534747744 /nfs/dbraw/zinc/74/77/44/534747744.db2.gz BKFOGEWGMGAQLN-UHFFFAOYSA-N 0 0 330.797 0.216 10 0 ECAERN Cn1cccc(NC(=O)C(=O)N2CCCC[C@H]2c2cn[nH]c2)c1=O ZINC000190139306 534778766 /nfs/dbraw/zinc/77/87/66/534778766.db2.gz OWXHXQMBZNTXHV-ZDUSSCGKSA-N 0 0 329.360 0.801 10 0 ECAERN CC(=O)NC1CN(C(=O)CNC(=O)Cc2cccc3ccccc32)C1 ZINC000191490586 526706866 /nfs/dbraw/zinc/70/68/66/526706866.db2.gz FKYUKGXCTAIUSM-UHFFFAOYSA-N 0 0 339.395 0.845 10 0 ECAERN CC(=O)NC1CN(C(=O)NC[C@H]2CC(=O)N(Cc3ccccc3)C2)C1 ZINC000190291211 526708014 /nfs/dbraw/zinc/70/80/14/526708014.db2.gz RHBPEGXNMUKONM-OAHLLOKOSA-N 0 0 344.415 0.565 10 0 ECAERN CC(C)[C@@H](O)CC(=O)NCCS(=O)(=O)NCc1ccccc1 ZINC000178899914 528614397 /nfs/dbraw/zinc/61/43/97/528614397.db2.gz AFIYBUPAMYZGRX-AWEZNQCLSA-N 0 0 328.434 0.629 10 0 ECAERN CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)NC(CO)CO ZINC000132382691 529105725 /nfs/dbraw/zinc/10/57/25/529105725.db2.gz IKJXALLHGIBPEX-ZDUSSCGKSA-N 0 0 330.331 0.189 10 0 ECAERN CC[C@@H](O)CN1CCN(S(=O)(=O)c2ncn(C)c2Cl)CC1 ZINC000182402458 529229706 /nfs/dbraw/zinc/22/97/06/529229706.db2.gz HDMUZXPOQVFLMQ-SNVBAGLBSA-N 0 0 336.845 0.151 10 0 ECAERN COc1ccc(S(=O)(=O)N(C)C[C@H]2CN(C)CCO2)c(C)c1 ZINC000074774973 545684858 /nfs/dbraw/zinc/68/48/58/545684858.db2.gz ZOGJSADIADVIQI-CQSZACIVSA-N 0 0 328.434 0.955 10 0 ECAERN Cc1ccc(F)c(-n2nnnc2C[S@](=O)CC(=O)NC2CC2)c1 ZINC000084147655 545709777 /nfs/dbraw/zinc/70/97/77/545709777.db2.gz XJYUSSBXOTWTTA-HSZRJFAPSA-N 0 0 337.380 0.637 10 0 ECAERN O=S(=O)(CC[C@@H]1CCCO1)N1CCO[C@H](Cn2cccn2)C1 ZINC000120326397 545751314 /nfs/dbraw/zinc/75/13/14/545751314.db2.gz QGRGFBPTEVIEOL-UONOGXRCSA-N 0 0 329.422 0.483 10 0 ECAERN O=C(Cc1c[nH]c2ccc(F)cc12)NC[C@H](O)CN1CCOCC1 ZINC000128123807 545778097 /nfs/dbraw/zinc/77/80/97/545778097.db2.gz ZLFDWFZHQIZXBF-AWEZNQCLSA-N 0 0 335.379 0.659 10 0 ECAERN CCn1cc(CN2CCCN(C(=O)[C@]3(O)CCSC3)CC2)cn1 ZINC000152758194 545822432 /nfs/dbraw/zinc/82/24/32/545822432.db2.gz FGIXQUBCJGIHTJ-INIZCTEOSA-N 0 0 338.477 0.805 10 0 ECAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)[C@@H]1CCCN1S(C)(=O)=O ZINC000176673416 545871764 /nfs/dbraw/zinc/87/17/64/545871764.db2.gz AWYLQGLSBFFBDV-MNOVXSKESA-N 0 0 341.437 0.216 10 0 ECAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CCO[C@](C)(c2ccccc2)C1 ZINC000189279562 545903972 /nfs/dbraw/zinc/90/39/72/545903972.db2.gz GGNCZBSTIZGGLB-NUJGCVRESA-N 0 0 332.400 0.742 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)N1CCO[C@@H]([C@H]3CCCO3)C1)CC2 ZINC000246491326 545939929 /nfs/dbraw/zinc/93/99/29/545939929.db2.gz RJIKMTPJYAJKJJ-MGPQQGTHSA-N 0 0 349.435 0.745 10 0 ECAERN CN1CCN(Cc2ccccc2)[C@@H](CNC(=O)[C@@H]2CNC(=O)C2)C1 ZINC000620722804 546445984 /nfs/dbraw/zinc/44/59/84/546445984.db2.gz IGDXDDLARZLEJB-HOTGVXAUSA-N 0 0 330.432 0.055 10 0 ECAERN CCCn1[nH]ccc1=NC(=O)CN1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000888078871 586246180 /nfs/dbraw/zinc/24/61/80/586246180.db2.gz DSNFEGOMMQCGLC-QGZVFWFLSA-N 0 0 336.436 0.923 10 0 ECAERN Cc1cc(C(F)(F)F)nn1CC(=O)N[C@H]1C[C@@H](O)[C@@H]1n1cccn1 ZINC000888079317 586246904 /nfs/dbraw/zinc/24/69/04/586246904.db2.gz WFCCSIHIIVIKSI-OPQQBVKSSA-N 0 0 343.309 0.898 10 0 ECAERN Cc1ccn2ncc(C(=O)N[C@H]3COC[C@H]3Oc3cnn(C)c3)c2n1 ZINC000888094518 586348991 /nfs/dbraw/zinc/34/89/91/586348991.db2.gz YJOLUXBCMQJAGU-UONOGXRCSA-N 0 0 342.359 0.347 10 0 ECAERN CNC(=O)[C@@H]1CC(=O)N(C2CN(C(=O)COc3cccc(F)c3)C2)C1 ZINC000888098062 586349340 /nfs/dbraw/zinc/34/93/40/586349340.db2.gz CHRRADDLRBFPIE-LLVKDONJSA-N 0 0 349.362 0.010 10 0 ECAERN Cn1nc(C[C@H]2CCCC[C@H]2NC(=O)c2cnccn2)n(C)c1=O ZINC000888098297 586349686 /nfs/dbraw/zinc/34/96/86/586349686.db2.gz FCNRHSSNNMYOCR-VXGBXAGGSA-N 0 0 330.392 0.440 10 0 ECAERN Cc1cc(C(=O)N[C@@H]2CCCC[C@@H]2Cc2nn(C)c(=O)n2C)ncn1 ZINC000888098218 586349847 /nfs/dbraw/zinc/34/98/47/586349847.db2.gz BUIVAOZQDMWKHS-CHWSQXEVSA-N 0 0 344.419 0.749 10 0 ECAERN O=C(c1ccc2[nH]cnc2c1F)N1CCC[C@@](O)(Cn2ccnn2)C1 ZINC000897700444 586359819 /nfs/dbraw/zinc/35/98/19/586359819.db2.gz NKJQJULLMGRAHV-INIZCTEOSA-N 0 0 344.350 0.961 10 0 ECAERN Cc1nnc2n1C[C@H](C(=O)NCc1nc3cc(C)ccc3n1C)NC2 ZINC000818219756 587414438 /nfs/dbraw/zinc/41/44/38/587414438.db2.gz HOMUNWDJBOHYQE-CYBMUJFWSA-N 0 0 339.403 0.570 10 0 ECAERN CCCC(=O)NCC(=O)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000105817535 589139719 /nfs/dbraw/zinc/13/97/19/589139719.db2.gz QUZBORLKARTSGI-INIZCTEOSA-N 0 0 333.432 0.781 10 0 ECAERN O=C1CCCN1C[C@H](O)CN1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000111690372 589563437 /nfs/dbraw/zinc/56/34/37/589563437.db2.gz FVTCAGVBODDLKA-MSOLQXFVSA-N 0 0 347.459 0.321 10 0 ECAERN CCc1noc([C@H](C)N2CCN(CCS(=O)(=O)CC)CC2)n1 ZINC000118398233 589867075 /nfs/dbraw/zinc/86/70/75/589867075.db2.gz CABRLDPDJAKXLK-LBPRGKRZSA-N 0 0 330.454 0.745 10 0 ECAERN CCn1[nH]c(C)nc1=NC(=O)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000888528901 589951548 /nfs/dbraw/zinc/95/15/48/589951548.db2.gz JTUWGTUMNCYMTC-UHFFFAOYSA-N 0 0 346.439 0.502 10 0 ECAERN Cn1cc(O[C@@H]2COC[C@@H]2NC(=O)Cc2cc(C3CC3)no2)cn1 ZINC000862921280 589973627 /nfs/dbraw/zinc/97/36/27/589973627.db2.gz LZDMHPXJDCAPBL-LSDHHAIUSA-N 0 0 332.360 0.791 10 0 ECAERN Cn1cc(O[C@@H]2COC[C@@H]2NC(=O)Cn2cc(Cl)cn2)cn1 ZINC000862922597 589973985 /nfs/dbraw/zinc/97/39/85/589973985.db2.gz XWXKKPAQLNQLTQ-NWDGAFQWSA-N 0 0 325.756 0.233 10 0 ECAERN CCc1ncc(CN2CC(N3C[C@@H](c4nc(C)no4)CC3=O)C2)cn1 ZINC000864313795 590068991 /nfs/dbraw/zinc/06/89/91/590068991.db2.gz XLBDBZPCBGYWJG-ZDUSSCGKSA-N 0 0 342.403 0.931 10 0 ECAERN CO[C@H]1CCCCN(CC(=O)NCc2nnc(C)n2C2CC2)C1=O ZINC000886074768 590790635 /nfs/dbraw/zinc/79/06/35/590790635.db2.gz VPKKRFUVOQWNDR-ZDUSSCGKSA-N 0 0 335.408 0.565 10 0 ECAERN NC(=O)[C@@]1(N2CCN(C(=O)c3ccoc3C3CC3)CC2)CCOC1 ZINC000886077573 590790834 /nfs/dbraw/zinc/79/08/34/590790834.db2.gz LCKUHGHPLCQKAY-QGZVFWFLSA-N 0 0 333.388 0.559 10 0 ECAERN Cc1cc(C(=O)N2CCN([C@@]3(C(N)=O)CCOC3)CC2)nn1C(C)C ZINC000886077537 590790970 /nfs/dbraw/zinc/79/09/70/590790970.db2.gz GTVQCTPGGLOOHG-KRWDZBQOSA-N 0 0 349.435 0.175 10 0 ECAERN COc1ncccc1CCNC(=O)CN1CCCC[C@H](OC)C1=O ZINC000886078269 590791669 /nfs/dbraw/zinc/79/16/69/590791669.db2.gz UIZAKRZBVGASDD-AWEZNQCLSA-N 0 0 335.404 0.776 10 0 ECAERN CNC(=O)[C@@]1(COC)CCCN1Cc1noc(C2CCOCC2)n1 ZINC000886096720 590795477 /nfs/dbraw/zinc/79/54/77/590795477.db2.gz AMGVXFJLEQISTD-INIZCTEOSA-N 0 0 338.408 0.691 10 0 ECAERN COC(=O)c1cc(NC(=O)N2CCN(C[C@H](C)O)[C@@H](C)C2)nn1C ZINC000889069133 591039427 /nfs/dbraw/zinc/03/94/27/591039427.db2.gz UZXCUOCMRNEQEA-QWRGUYRKSA-N 0 0 339.396 0.126 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)c2cnn(-c3ccc(F)cc3)n2)CC1 ZINC000159260798 611454234 /nfs/dbraw/zinc/45/42/34/611454234.db2.gz WOJKJAVXADYWME-HNNXBMFYSA-N 0 0 347.394 0.935 10 0 ECAERN Nc1ncnc(Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)n1 ZINC000089793198 608918646 /nfs/dbraw/zinc/91/86/46/608918646.db2.gz KLXOSGGBJVSSDO-UHFFFAOYSA-N 0 0 336.377 0.218 10 0 ECAERN C[C@@H](NC(=O)N1CCO[C@H](Cn2cccn2)C1)c1nnnn1C1CC1 ZINC000188763286 609128977 /nfs/dbraw/zinc/12/89/77/609128977.db2.gz BJHIIFVVIFGWJY-YPMHNXCESA-N 0 0 346.395 0.376 10 0 ECAERN O=C(N[C@@H]1C[C@@H](O)[C@H]1n1cccn1)[C@@H]1CCCC[C@@H]1N1CCCC1=O ZINC000909191634 609684885 /nfs/dbraw/zinc/68/48/85/609684885.db2.gz SNYVMGHVLZXWSF-GAGVYUBLSA-N 0 0 346.431 0.855 10 0 ECAERN Cc1ccc(C=CC(=O)NCc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)o1 ZINC000222462156 609701585 /nfs/dbraw/zinc/70/15/85/609701585.db2.gz PXFQJEDFCJEHDI-SREVYHEPSA-N 0 0 343.343 0.191 10 0 ECAERN Cc1noc(-c2cncn(CCC(=O)NCc3cccnc3)c2=O)n1 ZINC000222847020 609705323 /nfs/dbraw/zinc/70/53/23/609705323.db2.gz BCECZHMGVAGGHP-UHFFFAOYSA-N 0 0 340.343 0.703 10 0 ECAERN C[C@]1(c2cccc(Cl)c2)NC(=O)N(CCC(=O)NC(N)=O)C1=O ZINC000058289917 609726366 /nfs/dbraw/zinc/72/63/66/609726366.db2.gz QEJFKKYBPJKKND-CQSZACIVSA-N 0 0 338.751 0.692 10 0 ECAERN CNC(=O)N1CCC([C@@H]2CCN(C(=O)CN3CCCC3=O)C2)CC1 ZINC000169781607 609745770 /nfs/dbraw/zinc/74/57/70/609745770.db2.gz DCZXTINAFBAUSN-CQSZACIVSA-N 0 0 336.436 0.509 10 0 ECAERN COCCn1nc2n(c1=O)CCN(Cc1cccc(OC)n1)CC2 ZINC000169790092 609746553 /nfs/dbraw/zinc/74/65/53/609746553.db2.gz BTYOGVVXFORUKH-UHFFFAOYSA-N 0 0 333.392 0.153 10 0 ECAERN Cc1cc(NC(=O)C(=O)NC[C@@H](C)N2CCOCC2)ccc1N(C)C ZINC000062110674 609765841 /nfs/dbraw/zinc/76/58/41/609765841.db2.gz KZFNQMPVGXXVDY-CQSZACIVSA-N 0 0 348.447 0.836 10 0 ECAERN CC(=O)NC[C@H]1CN(Cn2cnc3c2ncnc3NC(C)C)CCO1 ZINC000172169655 609768818 /nfs/dbraw/zinc/76/88/18/609768818.db2.gz LUJKIDQFRLCYJZ-ZDUSSCGKSA-N 0 0 347.423 0.441 10 0 ECAERN CC(C)(C)n1nnn(CN2CC[C@@H](N3CCOCC3)C2)c1=S ZINC000172962083 609777370 /nfs/dbraw/zinc/77/73/70/609777370.db2.gz ASLQGBSUMCWNHF-GFCCVEGCSA-N 0 0 326.470 0.928 10 0 ECAERN CC1=C(C(=O)N2CC[C@@H](n3ccnn3)C2)[C@H](C)n2ncnc2N1C ZINC000911830310 609914438 /nfs/dbraw/zinc/91/44/38/609914438.db2.gz KKFWRNQQKPHQSZ-NWDGAFQWSA-N 0 0 328.380 0.628 10 0 ECAERN O=C([C@@H]1CSC(c2ccccc2)=N1)N1C[C@@H](O)[C@H](n2ccnn2)C1 ZINC000912025787 609927287 /nfs/dbraw/zinc/92/72/87/609927287.db2.gz WUZKIXVOZCPELU-BFHYXJOUSA-N 0 0 343.412 0.585 10 0 ECAERN O=C([C@H]1CCCn2cc(C(F)(F)F)nc21)N1CCOC[C@@H]1CO ZINC000912430607 609955562 /nfs/dbraw/zinc/95/55/62/609955562.db2.gz IAAKBXHBSAPJCG-UWVGGRQHSA-N 0 0 333.310 0.999 10 0 ECAERN O=C(CCCOc1ccc2c(c1)NC(=O)CC2)N1CCOC[C@H]1CO ZINC000912424638 609957885 /nfs/dbraw/zinc/95/78/85/609957885.db2.gz HKXDAGOOBSAKSP-CQSZACIVSA-N 0 0 348.399 0.950 10 0 ECAERN O=C(COc1cccc(N2CCCC2=O)c1)N1CCOC[C@H]1CO ZINC000912427959 609958840 /nfs/dbraw/zinc/95/88/40/609958840.db2.gz OYNODFWCRLITOC-CQSZACIVSA-N 0 0 334.372 0.412 10 0 ECAERN O=C(NC[C@]1(CO)COCCN1)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000913187612 610048889 /nfs/dbraw/zinc/04/88/89/610048889.db2.gz CVDZSQWXNKXXPL-HSMVNMDESA-N 0 0 326.343 0.535 10 0 ECAERN Cc1ccc(S(=O)(=O)N2CCCN(S(N)(=O)=O)CC2)c(C)c1 ZINC000071914072 610505170 /nfs/dbraw/zinc/50/51/70/610505170.db2.gz OJNQZWQIDCTKHZ-UHFFFAOYSA-N 0 0 347.462 0.203 10 0 ECAERN Cc1cnn(C[C@@H]2CN(Cn3cc4[nH]cccc-4c3=O)CCO2)c1 ZINC000190249471 612057830 /nfs/dbraw/zinc/05/78/30/612057830.db2.gz MZTPLAHFWAWWFV-AWEZNQCLSA-N 0 0 327.388 0.901 10 0 ECAERN CCCCCNC(=O)N1C[C@H]2C[N@H+](CCOC)C[C@@]2(C(=O)[O-])C1 ZINC000091425302 612825756 /nfs/dbraw/zinc/82/57/56/612825756.db2.gz DMJGHUYEXMZNIV-CZUORRHYSA-N 0 0 327.425 0.851 10 0 ECAERN O=S1(=O)CCNC[C@@H]1CCNc1ncncc1Br ZINC000721713408 741525104 /nfs/dbraw/zinc/52/51/04/741525104.db2.gz AHZXRTCEMAMJJH-QMMMGPOBSA-N 0 0 335.227 0.428 10 0 ECAERN Cc1nonc1CN(C)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccoc1 ZINC000055168853 214282736 /nfs/dbraw/zinc/28/27/36/214282736.db2.gz MOOQPKCMTAFUAK-CQSZACIVSA-N 0 0 347.375 0.320 10 0 ECAERN CCc1nnc([C@@H]2CN(C(=O)C(=O)c3cnn(CC)c3)CCO2)[nH]1 ZINC000136437481 529699329 /nfs/dbraw/zinc/69/93/29/529699329.db2.gz GIIQYAHDLBLHQG-NSHDSACASA-N 0 0 332.364 0.366 10 0 ECAERN CCc1nnc([C@H]2CN(C(=O)NCCn3cc(C)cn3)CCO2)[nH]1 ZINC000178137462 529700889 /nfs/dbraw/zinc/70/08/89/529700889.db2.gz HPEBQONFIASMTJ-GFCCVEGCSA-N 0 0 333.396 0.655 10 0 ECAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)NCCNC(=O)c1ccn[nH]1 ZINC000181447620 529750472 /nfs/dbraw/zinc/75/04/72/529750472.db2.gz GQWZJTORBOGRPH-SNVBAGLBSA-N 0 0 346.395 0.128 10 0 ECAERN CN1CCO[C@H](CNC(=O)C(=O)Nc2ccc(-c3ncco3)cc2)C1 ZINC000153820001 529788704 /nfs/dbraw/zinc/78/87/04/529788704.db2.gz NUOUSEZWLZMGMP-CQSZACIVSA-N 0 0 344.371 0.727 10 0 ECAERN CNC(=O)[C@H]1CCCN1C(=O)N[C@@H]1CCN(c2ccccc2F)C1=O ZINC000158475096 529923777 /nfs/dbraw/zinc/92/37/77/529923777.db2.gz QUDNAIPMJVWRLH-TZMCWYRMSA-N 0 0 348.378 0.851 10 0 ECAERN Cc1cnn(CCNC(=O)c2ccc([C@]3(C)NC(=O)NC3=O)cc2)c1 ZINC000177867552 232017025 /nfs/dbraw/zinc/01/70/25/232017025.db2.gz HIVXBXKVNCSDML-KRWDZBQOSA-N 0 0 341.371 0.676 10 0 ECAERN COCCS(=O)(=O)N[C@H](C)c1ccc(S(N)(=O)=O)s1 ZINC000042809741 213535845 /nfs/dbraw/zinc/53/58/45/213535845.db2.gz AWFQJIYXMKBBED-SSDOTTSWSA-N 0 0 328.437 0.022 10 0 ECAERN COCCCN1C(=O)/C(=C/c2cnn(C)c2)N=C1SCC(N)=O ZINC000002785022 209913024 /nfs/dbraw/zinc/91/30/24/209913024.db2.gz JVJUQTMSRDNVAR-WDZFZDKYSA-N 0 0 337.405 0.214 10 0 ECAERN NC(=O)[C@@H]1COCCN1C(=O)Cc1ccc(Br)c(F)c1 ZINC000180214455 233790557 /nfs/dbraw/zinc/79/05/57/233790557.db2.gz NXJKZKHLMXMEDF-NSHDSACASA-N 0 0 345.168 0.843 10 0 ECAERN CN(C)C(=O)CNS(=O)(=O)c1cc(Br)ccc1N ZINC000037929438 213173848 /nfs/dbraw/zinc/17/38/48/213173848.db2.gz ZVEUBEVCCLTSIV-UHFFFAOYSA-N 0 0 336.211 0.398 10 0 ECAERN CCCn1c2nn(C)c(=O)n2c2cc(C(=O)NC(C)C)ccc2c1=O ZINC000035481522 213032075 /nfs/dbraw/zinc/03/20/75/213032075.db2.gz HBQCOYPTHDJNCB-UHFFFAOYSA-N 0 0 343.387 0.896 10 0 ECAERN Cc1nc2c(cnn2C)c(N2CCN([C@H](C)c3nnnn3C)CC2)n1 ZINC000189204631 236792521 /nfs/dbraw/zinc/79/25/21/236792521.db2.gz BBPPFCHXEMCIBD-SNVBAGLBSA-N 0 0 342.411 0.078 10 0 ECAERN CS(=O)(=O)CCNS(=O)(=O)c1c(Cl)cc(N)cc1Cl ZINC000037750220 213163708 /nfs/dbraw/zinc/16/37/08/213163708.db2.gz ZMXJOCDVLWRYHC-UHFFFAOYSA-N 0 0 347.245 0.899 10 0 ECAERN NC(=O)[C@H]1C[C@H](O)CN1C(=O)c1ccc(F)cc1Br ZINC000037846171 213170062 /nfs/dbraw/zinc/17/00/62/213170062.db2.gz DRBOXMIQPZQSHO-OIBJUYFYSA-N 0 0 331.141 0.649 10 0 ECAERN CSc1nc2nnc(-c3ccnc(N4CCOCC4)n3)c(C)n2n1 ZINC000072452485 216239775 /nfs/dbraw/zinc/23/97/75/216239775.db2.gz ACSNYARLOWFIOR-UHFFFAOYSA-N 0 0 344.404 0.843 10 0 ECAERN COC(=O)Cc1nn(C)c2c1nnc1nc(-c3cccs3)nn12 ZINC000072462379 216243759 /nfs/dbraw/zinc/24/37/59/216243759.db2.gz GEYUZJMJPBVRRA-UHFFFAOYSA-N 0 0 329.345 0.850 10 0 ECAERN COc1ccc(Cn2ccc3c(nnc4ncnn43)c2=O)cc1OC ZINC000072466622 216247987 /nfs/dbraw/zinc/24/79/87/216247987.db2.gz BFJNQRQAURDYFE-UHFFFAOYSA-N 0 0 338.327 0.900 10 0 ECAERN Cc1onc(-c2ccccn2)c1C(=O)NC[C@H](O)CN1CCOCC1 ZINC000132791290 223362846 /nfs/dbraw/zinc/36/28/46/223362846.db2.gz LRWXALZIFGYBRL-ZDUSSCGKSA-N 0 0 346.387 0.468 10 0 ECAERN CO[C@H](C(=O)N1CCO[C@H](C[N@H+](C)CC(=O)[O-])C1)c1ccccc1 ZINC000262838241 245204694 /nfs/dbraw/zinc/20/46/94/245204694.db2.gz IPMVYMWARQCMIS-ZBFHGGJFSA-N 0 0 336.388 0.618 10 0 ECAERN O=C(NCc1cccc(CO)c1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000171907419 227356751 /nfs/dbraw/zinc/35/67/51/227356751.db2.gz DMPLUVYXILHMIC-MRXNPFEDSA-N 0 0 330.388 0.986 10 0 ECAERN O=C([C@H]1Cc2ccccc2C(=O)O1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111083857 220098012 /nfs/dbraw/zinc/09/80/12/220098012.db2.gz MXNQPZPANQAQEJ-GDBMZVCRSA-N 0 0 341.367 0.892 10 0 ECAERN CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(N)c(C)c1 ZINC000011755788 211243691 /nfs/dbraw/zinc/24/36/91/211243691.db2.gz DOFRBYGLSNKFHO-NSHDSACASA-N 0 0 332.447 0.775 10 0 ECAERN Cc1c(C(=O)N2CCOC[C@@H]2C(N)=O)cnn1-c1ccccc1F ZINC000091779978 218065544 /nfs/dbraw/zinc/06/55/44/218065544.db2.gz PSVWXROWNOSCQN-CQSZACIVSA-N 0 0 332.335 0.646 10 0 ECAERN NC(=O)CN1CCC(C(=O)N2CCC[C@](CO)(CC3CC3)C2)CC1 ZINC000091974369 218096645 /nfs/dbraw/zinc/09/66/45/218096645.db2.gz JCTUYABFROBYKF-SFHVURJKSA-N 0 0 337.464 0.585 10 0 ECAERN Cc1cc(=O)oc2cc(OCCN3CCOC[C@H]3C(N)=O)ccc12 ZINC000092228539 218126578 /nfs/dbraw/zinc/12/65/78/218126578.db2.gz YLJWJNNBACTCQP-AWEZNQCLSA-N 0 0 332.356 0.666 10 0 ECAERN NC(=O)[C@H]1COCCN1C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000092231245 218127798 /nfs/dbraw/zinc/12/77/98/218127798.db2.gz KZVJCPMIMRSZQT-ZYHUDNBSSA-N 0 0 349.214 0.919 10 0 ECAERN CCOC(=O)[C@H]1CN(S(=O)(=O)C2CC2)Cc2ncn(CC)c21 ZINC000096059396 218551608 /nfs/dbraw/zinc/55/16/08/218551608.db2.gz PGDFZRDGUXRBSU-NSHDSACASA-N 0 0 327.406 0.858 10 0 ECAERN O=C(c1ccc[nH]1)N1CCO[C@@]2(C1)COCCN(c1cncnc1)C2 ZINC000096076864 218576323 /nfs/dbraw/zinc/57/63/23/218576323.db2.gz JUTZVWGOCPFIGA-KRWDZBQOSA-N 0 0 343.387 0.553 10 0 ECAERN O=C(CCNC(=O)OCC(F)(F)F)N[C@H]1CCc2ncnn2C1 ZINC000112650253 220364164 /nfs/dbraw/zinc/36/41/64/220364164.db2.gz VPDMVICAGYVHKC-QMMMGPOBSA-N 0 0 335.286 0.388 10 0 ECAERN O=C(NCCc1cn2ccccc2n1)N[C@H]1CCc2ncnn2C1 ZINC000112741817 220392402 /nfs/dbraw/zinc/39/24/02/220392402.db2.gz UYTWWCROYGFVRQ-LBPRGKRZSA-N 0 0 325.376 0.783 10 0 ECAERN O=C(NCCCNC(=O)c1cccs1)N[C@@H]1CCc2ncnn2C1 ZINC000112747191 220395040 /nfs/dbraw/zinc/39/50/40/220395040.db2.gz JESHTOZWYOBBNU-LLVKDONJSA-N 0 0 348.432 0.774 10 0 ECAERN C[C@@H](NC(=O)NCCS(N)(=O)=O)c1cccc(-n2ccnc2)c1 ZINC000174033613 533168331 /nfs/dbraw/zinc/16/83/31/533168331.db2.gz QHIGRSSWRPYBGA-LLVKDONJSA-N 0 0 337.405 0.521 10 0 ECAERN COCCN(C)S(=O)(=O)N1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC000116899910 221009664 /nfs/dbraw/zinc/00/96/64/221009664.db2.gz CVUKMDKMPYUQRN-AWEZNQCLSA-N 0 0 345.469 0.430 10 0 ECAERN CCOCCN1CCN(C(=O)c2ccnc(-n3cncn3)c2)C[C@@H]1C ZINC000117274396 221040604 /nfs/dbraw/zinc/04/06/04/221040604.db2.gz JYIPCMLYDTZFGA-AWEZNQCLSA-N 0 0 344.419 0.845 10 0 ECAERN C[C@@H](CN1CCCN(Cc2cnn(C)c2)CC1)CS(C)(=O)=O ZINC000119001451 221221921 /nfs/dbraw/zinc/22/19/21/221221921.db2.gz VDXZZZAUAMESFJ-AWEZNQCLSA-N 0 0 328.482 0.609 10 0 ECAERN O=C(NC[C@@H](O)CN1CCOCC1)Nc1ccc(F)c(F)c1F ZINC000119279110 221283147 /nfs/dbraw/zinc/28/31/47/221283147.db2.gz BUCWPKGXUJVWOQ-SECBINFHSA-N 0 0 333.310 0.919 10 0 ECAERN CO[C@@H]1CC[C@@H]2[C@@H]1OCCN2S(=O)(=O)c1c(C)nn(C)c1C ZINC000248038718 257667933 /nfs/dbraw/zinc/66/79/33/257667933.db2.gz NRIKOCRUIMPNGG-UPJWGTAASA-N 0 0 329.422 0.604 10 0 ECAERN CNC(=O)c1ccc([C@H]2CCCCN2CC(=O)N2CCNC2=O)n1C ZINC000328635828 258025937 /nfs/dbraw/zinc/02/59/37/258025937.db2.gz NQJSVJSWKXFLLJ-CYBMUJFWSA-N 0 0 347.419 0.668 10 0 ECAERN COc1cccc(CN2CCN(c3ccc4nncn4n3)CC2)n1 ZINC000171828627 533481722 /nfs/dbraw/zinc/48/17/22/533481722.db2.gz CYHGOIOECWNCLD-UHFFFAOYSA-N 0 0 325.376 0.850 10 0 ECAERN Cc1cc(CN2CCN(C(=O)N[C@H]3CCCn4ncnc43)CC2)on1 ZINC000177337390 533613135 /nfs/dbraw/zinc/61/31/35/533613135.db2.gz PQFYFRONARWFHP-AWEZNQCLSA-N 0 0 345.407 0.937 10 0 ECAERN Cc1nn(C)c(C)c1CN1CCN(CC(=O)NC[C@H]2CCCO2)CC1 ZINC000105916728 296635686 /nfs/dbraw/zinc/63/56/86/296635686.db2.gz YTJUQQRQFYVZGQ-MRXNPFEDSA-N 0 0 349.479 0.450 10 0 ECAERN O=C(CCNC(=O)c1cccs1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111088116 296639080 /nfs/dbraw/zinc/63/90/80/296639080.db2.gz QFVBZJJZJNOVHB-CYBMUJFWSA-N 0 0 348.428 0.992 10 0 ECAERN O=C(C[C@@H]1COCCN1C[C@H](O)CN1CCCC1=O)c1ccco1 ZINC000121083187 296646908 /nfs/dbraw/zinc/64/69/08/296646908.db2.gz DURRJXXTNURTGC-KGLIPLIRSA-N 0 0 336.388 0.537 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)CS(=O)(=O)C(C)(C)C)CC2 ZINC000152497970 164742945 /nfs/dbraw/zinc/74/29/45/164742945.db2.gz LJQZRBCJOYJMGE-SNVBAGLBSA-N 0 0 328.438 0.485 10 0 ECAERN COc1ccc(OCCNC(=O)N[C@H]2CCc3ncnn3C2)cc1 ZINC000171866408 164836831 /nfs/dbraw/zinc/83/68/31/164836831.db2.gz QNKCKKQANQBOQL-LBPRGKRZSA-N 0 0 331.376 0.980 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)NCCCC(=O)NC1CC1)CC2 ZINC000172310005 164842168 /nfs/dbraw/zinc/84/21/68/164842168.db2.gz VEZAPWLYQOFNCI-GFCCVEGCSA-N 0 0 334.424 0.513 10 0 ECAERN Cc1nnc([C@H]2CN(C(=O)c3ccc4c(c3)nnn4C)CCO2)[nH]1 ZINC000173516029 164857213 /nfs/dbraw/zinc/85/72/13/164857213.db2.gz HTGQBGKCOZCRJS-CYBMUJFWSA-N 0 0 327.348 0.609 10 0 ECAERN Cc1ccc(-c2nnn(CC(=O)N[C@@H]3CCCn4ncnc43)n2)cc1 ZINC000177552035 164906672 /nfs/dbraw/zinc/90/66/72/164906672.db2.gz KVGDAUGJSYBLGK-CYBMUJFWSA-N 0 0 338.375 0.891 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)Nc1cc(COC)ncn1)CC2 ZINC000181012620 164940208 /nfs/dbraw/zinc/94/02/08/164940208.db2.gz ZTDJJHXMCTYDDD-JTQLQIEISA-N 0 0 331.380 0.913 10 0 ECAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)N[C@H](C)C[S@](C)=O)CC2 ZINC000181802075 164947119 /nfs/dbraw/zinc/94/71/19/164947119.db2.gz DJOIFQORDLRFKV-RUYXUOGBSA-N 0 0 327.454 0.783 10 0 ECAERN O=C(NC1CN(C(=O)NC[C@@H]2CC(=O)N(C3CC3)C2)C1)C1CCC1 ZINC000188918759 165002884 /nfs/dbraw/zinc/00/28/84/165002884.db2.gz JOFVERJAXCIZKU-NSHDSACASA-N 0 0 334.420 0.307 10 0 ECAERN C[C@@H]1C(=O)NCCCN1C(=O)C1CCN(C(=O)N2CCCC2)CC1 ZINC000188875691 165003350 /nfs/dbraw/zinc/00/33/50/165003350.db2.gz PPOBMXZGZILYGM-CYBMUJFWSA-N 0 0 336.436 0.651 10 0 ECAERN O=C(NC1CN(C(=O)[C@@H]2CN(Cc3ccccc3)CCO2)C1)C1CC1 ZINC000189425323 165010244 /nfs/dbraw/zinc/01/02/44/165010244.db2.gz ZLZSOQURBDJYFU-KRWDZBQOSA-N 0 0 343.427 0.624 10 0 ECAERN CC(C)[C@@H](CNC(=O)N1CC(NC(=O)C2CC2)C1)N1CCOCC1 ZINC000190121907 165018287 /nfs/dbraw/zinc/01/82/87/165018287.db2.gz UAAFDJMUWRBDKJ-OAHLLOKOSA-N 0 0 338.452 0.263 10 0 ECAERN CC(=O)NC1CN(C(=O)[C@@H]2CCC(=O)N2Cc2ccc(C)cc2)C1 ZINC000190526691 165022994 /nfs/dbraw/zinc/02/29/94/165022994.db2.gz QQSZWKBINQITOO-INIZCTEOSA-N 0 0 329.400 0.833 10 0 ECAERN CCn1cc([C@H]2CN(CCCNS(=O)(=O)CC)CCO2)cn1 ZINC000190757033 165025731 /nfs/dbraw/zinc/02/57/31/165025731.db2.gz WJHJQEOBFFMELT-CQSZACIVSA-N 0 0 330.454 0.606 10 0 ECAERN CC(=O)[C@@H]1CC(C(=O)N2CCCNC(=O)[C@H]2C)=NN1c1ccccc1 ZINC000191769247 165036549 /nfs/dbraw/zinc/03/65/49/165036549.db2.gz CPXQIMJDAGDIMW-WBMJQRKESA-N 0 0 342.399 0.947 10 0 ECAERN O=C(NC[C@H](O)CN1CCOCC1)c1sccc1-n1cccc1 ZINC000192707955 165047382 /nfs/dbraw/zinc/04/73/82/165047382.db2.gz AWCRMNMBNMWXMD-ZDUSSCGKSA-N 0 0 335.429 0.962 10 0 ECAERN CCN(C[C@H](O)c1ccc(C)cc1)C(=O)[C@H]1C[C@@H](O)CN1C(C)=O ZINC000193437856 165055545 /nfs/dbraw/zinc/05/55/45/165055545.db2.gz QPUKTMFNGOPFGN-ZACQAIPSSA-N 0 0 334.416 0.859 10 0 ECAERN Cc1cccc2c(=O)n(CCC(=O)NC[C@H]3CN(C)CCO3)cnc12 ZINC000194625610 165069625 /nfs/dbraw/zinc/06/96/25/165069625.db2.gz GKLLVABUDSUWQF-AWEZNQCLSA-N 0 0 344.415 0.542 10 0 ECAERN Cc1nn(C)c(C)c1-c1cc(C(=O)NC[C@@H]2CN(C)CCO2)[nH]n1 ZINC000194609342 165069964 /nfs/dbraw/zinc/06/99/64/165069964.db2.gz UVONIXVBPLJOKO-GFCCVEGCSA-N 0 0 332.408 0.487 10 0 ECAERN O=C(Nc1ccc(N2CCOCC2)cn1)N[C@H]1CCc2ncnn2C1 ZINC000194896768 165072337 /nfs/dbraw/zinc/07/23/37/165072337.db2.gz GWBDWHBLZRZMJK-LBPRGKRZSA-N 0 0 343.391 0.646 10 0 ECAERN CCC[C@H](C)NC(=O)[C@@H](C)S(=O)(=O)Cc1nnnn1C(C)C ZINC000195429288 165081356 /nfs/dbraw/zinc/08/13/56/165081356.db2.gz AFNNPLKKTUWEDN-WDEREUQCSA-N 0 0 331.442 0.862 10 0 ECAERN C[C@@H]1NC(C(=O)N[C@@H]2CCCC[C@H]2CO)=NN(c2ccccc2)C1=O ZINC000246562403 165138410 /nfs/dbraw/zinc/13/84/10/165138410.db2.gz HIWAGFYJRFDKDS-KCQAQPDRSA-N 0 0 344.415 0.992 10 0 ECAERN Cc1nn(C)c(C)c1S(=O)(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000246645014 165139202 /nfs/dbraw/zinc/13/92/02/165139202.db2.gz ZWXAUIJXLAYMLU-FZMZJTMJSA-N 0 0 342.465 0.378 10 0 ECAERN C[C@@H]1CN(c2cc(N3CCC[C@H]3CO)ncn2)C[C@H]1N1CCOCC1 ZINC000246609792 165139949 /nfs/dbraw/zinc/13/99/49/165139949.db2.gz WRJGNSQXVAXZGC-OWCLPIDISA-N 0 0 347.463 0.595 10 0 ECAERN Cc1nnc([C@@H]2CN(S(=O)(=O)N3CCC[C@@H](C)C3)CCO2)[nH]1 ZINC000246930988 165147578 /nfs/dbraw/zinc/14/75/78/165147578.db2.gz JLGFCKDCPCZLSF-PWSUYJOCSA-N 0 0 329.426 0.463 10 0 ECAERN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)CS[C@H]1CCS(=O)(=O)C1 ZINC000247411205 165161470 /nfs/dbraw/zinc/16/14/70/165161470.db2.gz QCMSVMBJYZBQND-UPJWGTAASA-N 0 0 332.491 0.602 10 0 ECAERN CCOCCN1CCN(C(=O)C[C@H]2CCS(=O)(=O)C2)C[C@H]1CC ZINC000247566410 165166621 /nfs/dbraw/zinc/16/66/21/165166621.db2.gz VTOZSRTZZJCVOQ-HUUCEWRRSA-N 0 0 346.493 0.771 10 0 ECAERN COCC(=O)NC1CN(C(=O)N[C@@H]2[C@H]3CCc4ccccc4[C@@H]23)C1 ZINC000249212957 165195148 /nfs/dbraw/zinc/19/51/48/165195148.db2.gz ATWAUQRQYHBFAH-USXIJHARSA-N 0 0 329.400 0.871 10 0 ECAERN Cn1cc(S(=O)(=O)N2CCCc3c(N)cccc32)cc1C(N)=O ZINC000261767163 165239398 /nfs/dbraw/zinc/23/93/98/165239398.db2.gz QOACPFPOGWOOQN-UHFFFAOYSA-N 0 0 334.401 0.848 10 0 ECAERN CCCCN(C(=O)C[NH2+][C@@H](CCC)C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000262276901 165320639 /nfs/dbraw/zinc/32/06/39/165320639.db2.gz JWHPPLPZBIDKOV-STQMWFEESA-N 0 0 348.465 0.645 10 0 ECAERN Cn1c2ccccc2sc1=NC(=O)[C@@H](N)CCS(C)(=O)=O ZINC000262342213 165332856 /nfs/dbraw/zinc/33/28/56/165332856.db2.gz YXAHOXZOJCLFJE-BFBVWJMCSA-N 0 0 327.431 0.429 10 0 ECAERN CCCN(C)S(=O)(=O)N1CCCN(Cc2noc(C)n2)CC1 ZINC000121055306 221745668 /nfs/dbraw/zinc/74/56/68/221745668.db2.gz NOOWCCAUCYUCNC-UHFFFAOYSA-N 0 0 331.442 0.472 10 0 ECAERN Cn1ccnc1C[C@H]1CCCN(S(=O)(=O)N2CCOCC2)C1 ZINC000122101665 222014551 /nfs/dbraw/zinc/01/45/51/222014551.db2.gz ISNBJAADZJQBKV-CYBMUJFWSA-N 0 0 328.438 0.252 10 0 ECAERN C[C@@H](NC(=O)c1ccco1)C(=O)NCC(=O)NCCc1ccccc1 ZINC000122628973 222127335 /nfs/dbraw/zinc/12/73/35/222127335.db2.gz SJWCAXWWBRDQLB-CYBMUJFWSA-N 0 0 343.383 0.873 10 0 ECAERN Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2cnn(CC(N)=O)c2)cc1F ZINC000088826277 263145201 /nfs/dbraw/zinc/14/52/01/263145201.db2.gz HGWPYIBRXVFRFF-SNVBAGLBSA-N 0 0 347.350 0.632 10 0 ECAERN CCc1nnc([C@@H]2CN(C(=O)[C@H](C)NC(=O)c3ccoc3)CCO2)[nH]1 ZINC000173581323 263149019 /nfs/dbraw/zinc/14/90/19/263149019.db2.gz RNCJFDHKVNVPBA-JQWIXIFHSA-N 0 0 347.375 0.679 10 0 ECAERN CC(=O)NC1CN(C(=O)C(=O)Nc2cc(CC(C)(C)C)nn2C)C1 ZINC000191342373 263165075 /nfs/dbraw/zinc/16/50/75/263165075.db2.gz XKZSHTVLARCJQW-UHFFFAOYSA-N 0 0 335.408 0.294 10 0 ECAERN O=S(=O)(CCCOCc1ccccc1)N1CCO[C@@H](CO)C1 ZINC000290828113 264635170 /nfs/dbraw/zinc/63/51/70/264635170.db2.gz UHYUZVNGHPNEMT-OAHLLOKOSA-N 0 0 329.418 0.616 10 0 ECAERN C[C@@H](O)CN1CCN(C(=O)Nc2cccnc2-n2cncn2)C[C@H]1C ZINC000181817061 274268911 /nfs/dbraw/zinc/26/89/11/274268911.db2.gz WDISQEOYFYRIIA-CHWSQXEVSA-N 0 0 345.407 0.581 10 0 ECAERN O=C(NC1CN(C(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)C1)C1CC1 ZINC000189376722 437596593 /nfs/dbraw/zinc/59/65/93/437596593.db2.gz FNIWQWPVUNNVHM-ZDUSSCGKSA-N 0 0 331.347 0.989 10 0 ECAERN O=C(NC1CN(C(=O)c2ccc(-n3cnnn3)cc2Cl)C1)C1CC1 ZINC000189390637 437596700 /nfs/dbraw/zinc/59/67/00/437596700.db2.gz KYPGVSXECIXFCA-UHFFFAOYSA-N 0 0 346.778 0.666 10 0 ECAERN O=C(NC1CN(C(=O)C2CCN(c3cnccn3)CC2)C1)C1CC1 ZINC000189450182 437599809 /nfs/dbraw/zinc/59/98/09/437599809.db2.gz IZKLLKDTRKJVOD-UHFFFAOYSA-N 0 0 329.404 0.430 10 0 ECAERN NC(=O)[C@@H]1COCCN1C(=O)c1ccn(-c2ccc(F)cc2F)n1 ZINC000185005534 279579708 /nfs/dbraw/zinc/57/97/08/279579708.db2.gz UUWCFJBWJZZXSR-ZDUSSCGKSA-N 0 0 336.298 0.477 10 0 ECAERN CN(C[C@@H](c1cccs1)N1CCOCC1)C(=O)[C@@H]1CCC(=O)N1 ZINC000177965188 289699179 /nfs/dbraw/zinc/69/91/79/289699179.db2.gz DKHZBGNQFFFKSH-STQMWFEESA-N 0 0 337.445 0.858 10 0 ECAERN NS(=O)(=O)c1cc(C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)co1 ZINC000120776813 295287023 /nfs/dbraw/zinc/28/70/23/295287023.db2.gz YWPXWYAPDPGZHP-BXUZGUMPSA-N 0 0 328.390 0.694 10 0 ECAERN CO[C@@H]1COC[C@@H]1N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000333595069 297143604 /nfs/dbraw/zinc/14/36/04/297143604.db2.gz UBABQYFAVMHJBG-QWHCGFSZSA-N 0 0 346.474 0.905 10 0 ECAERN CC(C)[C@H]1N(C(=O)N[C@H]2COC[C@H]2n2ccnn2)C[C@]12CCCO2 ZINC000334101668 297163867 /nfs/dbraw/zinc/16/38/67/297163867.db2.gz WOLIIMHSWGHRGI-DSJMHWKBSA-N 0 0 335.408 0.817 10 0 ECAERN CO[C@H]1C[C@@H](CO)N(C(=O)CN2CCN(Cc3ccccc3)CC2)C1 ZINC000345461840 298157532 /nfs/dbraw/zinc/15/75/32/298157532.db2.gz BFYVTPDAYPYADB-ROUUACIJSA-N 0 0 347.459 0.412 10 0 ECAERN CCOC(=O)CSc1nnc(N)n1Cc1ccc(C(=O)OC)o1 ZINC000001923531 435960500 /nfs/dbraw/zinc/96/05/00/435960500.db2.gz WEIDBFWRJXGXHK-UHFFFAOYSA-N 0 0 340.361 0.943 10 0 ECAERN Cc1ccc2c(c1)N(CC(=O)NCCCN1CCCC1=O)C(=O)CO2 ZINC000003907232 435976508 /nfs/dbraw/zinc/97/65/08/435976508.db2.gz FTEKRWCODAYKFL-UHFFFAOYSA-N 0 0 345.399 0.849 10 0 ECAERN O=C(O[C@@H]1C[C@H](n2ccc(=O)[nH]c2=O)O[C@@H]1CO)c1ccccc1 ZINC000006095828 435997625 /nfs/dbraw/zinc/99/76/25/435997625.db2.gz BAVPJAHZOFCPIE-YRGRVCCFSA-N 0 0 332.312 0.042 10 0 ECAERN COC(=O)[C@H](C)CN(C)C(=O)[C@H](C)N1C(=O)c2ccccc2C1=O ZINC000071635880 436007936 /nfs/dbraw/zinc/00/79/36/436007936.db2.gz QQZNEHIEZMTUIG-MNOVXSKESA-N 0 0 332.356 0.939 10 0 ECAERN O=C(C1CC1)N1CCC(C(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000015308198 436079932 /nfs/dbraw/zinc/07/99/32/436079932.db2.gz SKTLCQFDBTVCFO-UHFFFAOYSA-N 0 0 343.431 0.774 10 0 ECAERN COc1ccc(Cl)cc1S(=O)(=O)NC[C@H]1CN(C)CCO1 ZINC000074773771 436139674 /nfs/dbraw/zinc/13/96/74/436139674.db2.gz SRSXJDFHMWPGCQ-NSHDSACASA-N 0 0 334.825 0.958 10 0 ECAERN Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)N[C@@H](C)C1CC1 ZINC000023040476 436122508 /nfs/dbraw/zinc/12/25/08/436122508.db2.gz ZEVYCHYOMDPMFO-NSHDSACASA-N 0 0 334.420 0.762 10 0 ECAERN NC(=O)[C@@H]1CC[C@H](CNC(=O)N2CCC[C@@H]2[C@H]2CCCC[C@H]2O)O1 ZINC000375644290 301194168 /nfs/dbraw/zinc/19/41/68/301194168.db2.gz MTQFQTDSUQTBAJ-RYPNDVFKSA-N 0 0 339.436 0.744 10 0 ECAERN NC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)NCc1ccco1 ZINC000026947557 436171797 /nfs/dbraw/zinc/17/17/97/436171797.db2.gz YLLJDNZMGLZLMV-AWEZNQCLSA-N 0 0 344.371 0.292 10 0 ECAERN C[C@@H]1CN(C(=O)CN2CCN(C)[C@@H](c3nccn3C)C2)C[C@H](C)O1 ZINC000375902621 301219489 /nfs/dbraw/zinc/21/94/89/301219489.db2.gz CFUIEBWXGNCLRK-QLFBSQMISA-N 0 0 335.452 0.344 10 0 ECAERN O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)NC[C@H]1CCCC[C@H]1O ZINC000077153299 436227298 /nfs/dbraw/zinc/22/72/98/436227298.db2.gz UDOANALIWNZQKT-IUODEOHRSA-N 0 0 345.399 0.747 10 0 ECAERN Cn1c2ccccc2n(CCC(=O)NCc2ccco2)c(=O)c1=O ZINC000033106737 436251161 /nfs/dbraw/zinc/25/11/61/436251161.db2.gz LNEYPBPITNYTFP-UHFFFAOYSA-N 0 0 327.340 1.000 10 0 ECAERN CNC(=O)c1cccc(CCNC(=O)NC[C@H](C)N2CCOCC2)c1 ZINC000077773921 436253937 /nfs/dbraw/zinc/25/39/37/436253937.db2.gz CITBMUNBIZYHRS-AWEZNQCLSA-N 0 0 348.447 0.609 10 0 ECAERN Nc1ncc(Br)nc1C(=O)NCCCN1CCCC1=O ZINC000034646897 436255217 /nfs/dbraw/zinc/25/52/17/436255217.db2.gz OHJVCOWYOKQMFP-UHFFFAOYSA-N 0 0 342.197 0.564 10 0 ECAERN O=C(CCc1cc2ccccc2[nH]c1=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000041185589 436270770 /nfs/dbraw/zinc/27/07/70/436270770.db2.gz PCRSWOLBFRVJSE-CYBMUJFWSA-N 0 0 334.397 0.764 10 0 ECAERN CC[C@H](C)NC(=O)CN1CCN(C[C@@H](O)COC(C)(C)C)CC1 ZINC000046054408 436383472 /nfs/dbraw/zinc/38/34/72/436383472.db2.gz YETVLVJXTHPHEI-LSDHHAIUSA-N 0 0 329.485 0.695 10 0 ECAERN O=C(c1ccccc1Br)N1CC[C@]2(C1)NC(=O)NC2=O ZINC000084796393 436386475 /nfs/dbraw/zinc/38/64/75/436386475.db2.gz YZICRLTXXLUAKB-CYBMUJFWSA-N 0 0 338.161 0.873 10 0 ECAERN C[C@@H](CNC(=O)NCc1ccc(C(=O)N(C)C)cc1)N1CCOCC1 ZINC000048467573 436452274 /nfs/dbraw/zinc/45/22/74/436452274.db2.gz UEHVRHKQTUGDGL-AWEZNQCLSA-N 0 0 348.447 0.908 10 0 ECAERN Cc1oc(-c2ccccc2)nc1CC(=O)N1CCOC[C@@H]1C(N)=O ZINC000091782317 436460604 /nfs/dbraw/zinc/46/06/04/436460604.db2.gz SUDRXFRTEHDZSD-CQSZACIVSA-N 0 0 329.356 0.905 10 0 ECAERN COC(=O)c1ccc2c(c1)nc1n2[C@@H](CNS(C)(=O)=O)COC1 ZINC000096112518 436514236 /nfs/dbraw/zinc/51/42/36/436514236.db2.gz DPKKWRWITSXVQX-JTQLQIEISA-N 0 0 339.373 0.443 10 0 ECAERN CCCNC(=O)NC(=O)CN1CCC(N(C)c2cccnn2)CC1 ZINC000105806082 436578279 /nfs/dbraw/zinc/57/82/79/436578279.db2.gz OYLZLCUOWSRRLR-UHFFFAOYSA-N 0 0 334.424 0.613 10 0 ECAERN CCc1cccc(NC(=O)CNC(=O)NC[C@@H]2CN(C)CCO2)c1 ZINC000104798661 436562302 /nfs/dbraw/zinc/56/23/02/436562302.db2.gz VTTRZSJYNUYMOA-OAHLLOKOSA-N 0 0 334.420 0.817 10 0 ECAERN CCN(Cc1ccccc1)C(=O)CNC(=O)NC[C@H]1CN(C)CCO1 ZINC000104792097 436563385 /nfs/dbraw/zinc/56/33/85/436563385.db2.gz USBVVLGWWXINCM-INIZCTEOSA-N 0 0 348.447 0.665 10 0 ECAERN CN1CCO[C@H](CNC(=O)N(CCC(N)=O)Cc2ccccc2)C1 ZINC000105096258 436568970 /nfs/dbraw/zinc/56/89/70/436568970.db2.gz BFOAXXTWGDYDDY-OAHLLOKOSA-N 0 0 334.420 0.404 10 0 ECAERN CC(=O)OC[C@H]1S[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000105107089 436570054 /nfs/dbraw/zinc/57/00/54/436570054.db2.gz BWZCFHIQGLRFLH-LPWJVIDDSA-N 0 0 334.346 0.418 10 0 ECAERN CCCC(=O)NC[C@@H]1CCCN(C(=O)NC[C@@H]2CN(C)CCO2)C1 ZINC000105279426 436572040 /nfs/dbraw/zinc/57/20/40/436572040.db2.gz GITPMEUZIUDMEL-LSDHHAIUSA-N 0 0 340.468 0.655 10 0 ECAERN CCN(CC)C(=O)CN(C)C(=O)[C@@H](Cc1ccccc1)n1cnnn1 ZINC000105614054 436576952 /nfs/dbraw/zinc/57/69/52/436576952.db2.gz OCSULZKHBACNRT-OAHLLOKOSA-N 0 0 344.419 0.784 10 0 ECAERN CS(=O)(=O)Nc1ccc(NC(=O)[C@@H]2CNC(=O)C2)cc1Cl ZINC000110359481 436628685 /nfs/dbraw/zinc/62/86/85/436628685.db2.gz QDWLVWOGWISQEL-ZETCQYMHSA-N 0 0 331.781 0.786 10 0 ECAERN CCOc1cc(C)nc(N2CCN(C(=O)c3cnns3)CC2)n1 ZINC000105820291 436580666 /nfs/dbraw/zinc/58/06/66/436580666.db2.gz FVUFFTXHNKCBNT-UHFFFAOYSA-N 0 0 334.405 0.998 10 0 ECAERN CC(C)(C)OC[C@H](O)CN1CCN(c2ccc3nncn3n2)CC1 ZINC000105911299 436586933 /nfs/dbraw/zinc/58/69/33/436586933.db2.gz GPHYUFQEJYUHQO-CYBMUJFWSA-N 0 0 334.424 0.422 10 0 ECAERN Cc1ccc(N2CCCN([C@@H](C)C(=O)NC[C@@H]3CCCO3)CC2)nn1 ZINC000105909451 436587244 /nfs/dbraw/zinc/58/72/44/436587244.db2.gz SWTHXLJGBMOAND-HOTGVXAUSA-N 0 0 347.463 0.981 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)CNC(=O)c2cccs2)CC1 ZINC000106403290 436594286 /nfs/dbraw/zinc/59/42/86/436594286.db2.gz SRZNNALDGPEWPH-GFCCVEGCSA-N 0 0 325.434 0.393 10 0 ECAERN COC(=O)c1ccc(N2CCN([C@H](C)c3nc(C)no3)CC2)nn1 ZINC000108947497 436621280 /nfs/dbraw/zinc/62/12/80/436621280.db2.gz LZRBYINWRUEJQV-SNVBAGLBSA-N 0 0 332.364 0.838 10 0 ECAERN Cc1nn(C)c(C)c1CN1CCN(C[C@@H](O)CN2CCCC2=O)CC1 ZINC000111690493 436631639 /nfs/dbraw/zinc/63/16/39/436631639.db2.gz TXUDFONFWSSTEU-MRXNPFEDSA-N 0 0 349.479 0.138 10 0 ECAERN CC(=O)OC[C@H]1O[C@H](OC(C)=O)[C@H](OC(C)=O)C[C@@H]1OC(C)=O ZINC000059941270 436631967 /nfs/dbraw/zinc/63/19/67/436631967.db2.gz TWQVUVQFUFLAHX-DGAVXFQQSA-N 0 0 332.305 0.091 10 0 in-vitro ECAERN Cc1nn2c(nc(C)cc2C)c1C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000112662204 436633529 /nfs/dbraw/zinc/63/35/29/436633529.db2.gz QDIHLMWTZGWKJM-GFCCVEGCSA-N 0 0 325.376 0.991 10 0 ECAERN CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@H]1CCc2ncnn2C1 ZINC000112728948 436633871 /nfs/dbraw/zinc/63/38/71/436633871.db2.gz GZYUSHJVQCFHLQ-HOTGVXAUSA-N 0 0 339.399 0.683 10 0 ECAERN O=C(CCNC(=O)c1ccsc1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111085779 436629217 /nfs/dbraw/zinc/62/92/17/436629217.db2.gz AERPJFRLKYKBOF-CQSZACIVSA-N 0 0 348.428 0.992 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1ccc(C(=O)OC)cn1)CC2 ZINC000114872435 436644645 /nfs/dbraw/zinc/64/46/45/436644645.db2.gz SNVMVRJFXXXWKT-NSHDSACASA-N 0 0 329.360 0.767 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)c1ccc(CNC(N)=O)cc1)CC2 ZINC000114870423 436644867 /nfs/dbraw/zinc/64/48/67/436644867.db2.gz HXVUMNBHLJRFEX-CYBMUJFWSA-N 0 0 342.403 0.754 10 0 ECAERN CCc1nnc(-c2ccc(=O)n(CC(=O)N3CCN(C)CC3)c2)o1 ZINC000064759761 436650621 /nfs/dbraw/zinc/65/06/21/436650621.db2.gz ZZCHOUIRXJBIPM-UHFFFAOYSA-N 0 0 331.376 0.235 10 0 ECAERN Cn1cc([C@H]2CCN(C(=O)NCCNC(=O)c3cccnc3)C2)cn1 ZINC000116529232 436650759 /nfs/dbraw/zinc/65/07/59/436650759.db2.gz HEAZYBWFCSAPPR-AWEZNQCLSA-N 0 0 342.403 0.744 10 0 ECAERN Cn1cc([C@@H]2CCN(C(=O)Cn3nc4ccccn4c3=O)C2)cn1 ZINC000116115572 436649190 /nfs/dbraw/zinc/64/91/90/436649190.db2.gz BNUGKWJLVWHYLT-GFCCVEGCSA-N 0 0 326.360 0.246 10 0 ECAERN Cc1cc(C)n2nc(CC(=O)NC[C@@H](C)CN3CCOCC3)nc2n1 ZINC000150728063 436687868 /nfs/dbraw/zinc/68/78/68/436687868.db2.gz TXSZMOVNLVRAEM-GFCCVEGCSA-N 0 0 346.435 0.368 10 0 ECAERN Cc1nn(C)c(C)c1OCC(=O)N1CCC[C@@H](Cn2cncn2)C1 ZINC000150778003 436691394 /nfs/dbraw/zinc/69/13/94/436691394.db2.gz SHKARZMCVZLDOJ-CQSZACIVSA-N 0 0 332.408 0.946 10 0 ECAERN COC(=O)[C@@H]1C[C@H]1C(=O)N1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000150857637 436692369 /nfs/dbraw/zinc/69/23/69/436692369.db2.gz MFMQZCWRPKZTRB-ZIAGYGMSSA-N 0 0 334.347 0.806 10 0 ECAERN CC1(C)Oc2cc(N(S(C)(=O)=O)S(C)(=O)=O)ccc2NC1=O ZINC000211110807 436695996 /nfs/dbraw/zinc/69/59/96/436695996.db2.gz VGWMLDDOLNBJTQ-UHFFFAOYSA-N 0 0 348.402 0.522 10 0 ECAERN NS(=O)(=O)c1cc(C(=O)N2CC[C@]3(O)CCCC[C@H]3C2)co1 ZINC000120777131 436698271 /nfs/dbraw/zinc/69/82/71/436698271.db2.gz YWPXWYAPDPGZHP-SMDDNHRTSA-N 0 0 328.390 0.694 10 0 ECAERN NS(=O)(=O)c1cnn(CC(=O)N[C@@H]2CCCc3ccccc32)c1 ZINC000121068294 436706875 /nfs/dbraw/zinc/70/68/75/436706875.db2.gz UJWFCXZUVIOKIK-CQSZACIVSA-N 0 0 334.401 0.724 10 0 ECAERN CCC(=O)N1CC[C@H](NC(=O)N2CCO[C@@H](Cn3cccn3)C2)C1 ZINC000151664810 436708216 /nfs/dbraw/zinc/70/82/16/436708216.db2.gz SZPLBODCKUBRBL-UONOGXRCSA-N 0 0 335.408 0.304 10 0 ECAERN Cn1ccnc1C[C@H]1CCCN(C(=O)N[C@H]2CCc3ncnn3C2)C1 ZINC000141491748 436670865 /nfs/dbraw/zinc/67/08/65/436670865.db2.gz OLTABQREBKPJAF-KGLIPLIRSA-N 0 0 343.435 0.991 10 0 ECAERN CCOC1CC(CNC(=O)[C@@H]2CC[C@H](C)O2)(N2CCOCC2)C1 ZINC000195198455 436682816 /nfs/dbraw/zinc/68/28/16/436682816.db2.gz ZVIDGHLTJKWYPJ-BOLLXYOYSA-N 0 0 326.437 0.940 10 0 ECAERN Cc1cc(C(=O)NC[C@@H](O)CN2CCOCC2)nn1-c1ccccc1 ZINC000120408532 436685660 /nfs/dbraw/zinc/68/56/60/436685660.db2.gz UVNXXZQKVMFBSM-MRXNPFEDSA-N 0 0 344.415 0.604 10 0 ECAERN O=C(NC[C@H](O)CN1CCOCC1)c1cc(-c2ccc(F)cc2)n[nH]1 ZINC000124491257 436751659 /nfs/dbraw/zinc/75/16/59/436751659.db2.gz NDDDDYPCYHHKEY-AWEZNQCLSA-N 0 0 348.378 0.639 10 0 ECAERN CC(C)n1cnc(S(=O)(=O)NC[C@H]2CN(C3CC3)CCO2)c1 ZINC000153273272 436752739 /nfs/dbraw/zinc/75/27/39/436752739.db2.gz SRAXRWOKOKLGRF-ZDUSSCGKSA-N 0 0 328.438 0.606 10 0 ECAERN O=C(Cn1ccc(=O)[nH]c1=O)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000128816236 436821162 /nfs/dbraw/zinc/82/11/62/436821162.db2.gz RWJRNMZADQSCAD-LLVKDONJSA-N 0 0 341.289 0.826 10 0 ECAERN O=S(=O)(CCN1CCO[C@H](Cn2cccn2)C1)C(F)(F)F ZINC000069464676 436773962 /nfs/dbraw/zinc/77/39/62/436773962.db2.gz OSBAOLZENBYALZ-JTQLQIEISA-N 0 0 327.328 0.519 10 0 ECAERN C[C@H](NC(=O)CN1CCOC[C@H]1C(N)=O)c1ccccc1Cl ZINC000246454472 436778904 /nfs/dbraw/zinc/77/89/04/436778904.db2.gz NVXORYSGSHALRC-GWCFXTLKSA-N 0 0 325.796 0.703 10 0 ECAERN CS(=O)(=O)c1csc(C(=O)N2CC[C@@H](N3CCOCC3)C2)c1 ZINC000154439704 436780134 /nfs/dbraw/zinc/78/01/34/436780134.db2.gz WOHHVFNWAXSHRI-LLVKDONJSA-N 0 0 344.458 0.698 10 0 ECAERN C[C@H]1CN(C(=O)CS(=O)(=O)C(C)(C)C)C[C@H]1N1CCOCC1 ZINC000154578911 436780758 /nfs/dbraw/zinc/78/07/58/436780758.db2.gz GSFNVRVIDXCGKK-QWHCGFSZSA-N 0 0 332.466 0.379 10 0 ECAERN CCOCCN1CCN(C(=O)C(=O)Nc2cc(C)nn2C)C[C@@H]1C ZINC000126215053 436784089 /nfs/dbraw/zinc/78/40/89/436784089.db2.gz ZPWKNYJPGHUCAT-ZDUSSCGKSA-N 0 0 337.424 0.236 10 0 ECAERN CN1C(=O)C[C@@H](C(=O)NCC(C)(C)C(N)=O)[C@@H]1c1ccc(F)cc1 ZINC000154995460 436788509 /nfs/dbraw/zinc/78/85/09/436788509.db2.gz AYIMAWWGWGBGHR-OCCSQVGLSA-N 0 0 335.379 0.973 10 0 ECAERN C[C@@H]1CC[C@H](C(=O)NCC(=O)Nc2ccc(-n3cncn3)cc2)O1 ZINC000155489998 436795655 /nfs/dbraw/zinc/79/56/55/436795655.db2.gz OJNXPMMVQSXBRC-BXUZGUMPSA-N 0 0 329.360 0.890 10 0 ECAERN NC(=O)[C@@H]1CN(C(=O)c2ccnnc2)C[C@H]1COc1ccccc1 ZINC000253412358 436843988 /nfs/dbraw/zinc/84/39/88/436843988.db2.gz QSRUCTSXFGFWKK-DZGCQCFKSA-N 0 0 326.356 0.729 10 0 ECAERN CCS(=O)(=O)NCCCN1CCN([C@H](C)c2nc(C)no2)CC1 ZINC000132613662 436866515 /nfs/dbraw/zinc/86/65/15/436866515.db2.gz SUCRVKUHUIPTJZ-GFCCVEGCSA-N 0 0 345.469 0.386 10 0 ECAERN NC(=O)[C@@H]1CCCN1Cc1cccc(NC(=O)[C@@H]2CNC(=O)C2)c1 ZINC000249838954 436827328 /nfs/dbraw/zinc/82/73/28/436827328.db2.gz UOVYSHQINQAMIP-JSGCOSHPSA-N 0 0 330.388 0.211 10 0 ECAERN Cc1cc(O)cc(=O)n1CC(=O)N1CCO[C@@H](c2nccs2)C1 ZINC000129619526 436828394 /nfs/dbraw/zinc/82/83/94/436828394.db2.gz JLXQKINEVLXDCI-GFCCVEGCSA-N 0 0 335.385 0.919 10 0 ECAERN CCC[C@H]([NH2+][C@H](C)C(=O)N1CCN(c2ncccn2)CC1)C(=O)[O-] ZINC000262264202 436919971 /nfs/dbraw/zinc/91/99/71/436919971.db2.gz HAQYSPUIIGWLNH-OLZOCXBDSA-N 0 0 335.408 0.357 10 0 ECAERN CC(C)CCn1ccc(NC(=O)C(=O)N[C@H]2CCc3ncnn3C2)n1 ZINC000163479473 436924214 /nfs/dbraw/zinc/92/42/14/436924214.db2.gz QWVXENIFPPTHED-LBPRGKRZSA-N 0 0 345.407 0.590 10 0 ECAERN CNC(=O)Cn1cc(NC(=O)C(=O)N[C@H](C)c2ccccc2C)cn1 ZINC000133328769 436877360 /nfs/dbraw/zinc/87/73/60/436877360.db2.gz BMWGYRKUXYUHJD-GFCCVEGCSA-N 0 0 343.387 0.753 10 0 ECAERN O=C(CN1CCCN(c2cccnn2)CC1)NC(=O)NC1CCCC1 ZINC000171547296 436982158 /nfs/dbraw/zinc/98/21/58/436982158.db2.gz XDMJSWGNCBRGSZ-UHFFFAOYSA-N 0 0 346.435 0.757 10 0 ECAERN Cn1ncc2c1nc(NC1CC([N@@H+](CC(=O)[O-])CC3CC3)C1)nc2N ZINC000263560077 436969533 /nfs/dbraw/zinc/96/95/33/436969533.db2.gz QVKGGAMCOSHGAD-UHFFFAOYSA-N 0 0 345.407 0.685 10 0 ECAERN [NH3+][C@H](Cc1ccccc1)[C@H](O)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000169319092 436942453 /nfs/dbraw/zinc/94/24/53/436942453.db2.gz KNWCAYPQYZZNGF-IKGGRYGDSA-N 0 0 342.395 0.729 10 0 ECAERN CC(=O)N1CCC(NC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)CC1 ZINC000169882282 436943982 /nfs/dbraw/zinc/94/39/82/436943982.db2.gz CATCWMCNKWTJAV-NSHDSACASA-N 0 0 343.383 0.798 10 0 ECAERN C[C@@H]1CCCC[C@@H]1OCC(=O)N1CCO[C@@H](C[N@H+](C)CC(=O)[O-])C1 ZINC000262976278 436946165 /nfs/dbraw/zinc/94/61/65/436946165.db2.gz SSTGTNDACMNOIV-ILXRZTDVSA-N 0 0 342.436 0.826 10 0 ECAERN O=C(NC1CCN(S(=O)(=O)C2CC2)CC1)[C@H]1CC(F)(F)CN1 ZINC000263208341 436955130 /nfs/dbraw/zinc/95/51/30/436955130.db2.gz JZQWVZKHXAEVRB-LLVKDONJSA-N 0 0 337.392 0.056 10 0 ECAERN Cn1c2ccc(S(=O)(=O)NC[C@H]3CCCC[C@H]3O)cc2oc1=O ZINC000172541283 437019691 /nfs/dbraw/zinc/01/96/91/437019691.db2.gz OGZRAAYEKYFJEF-ZWNOBZJWSA-N 0 0 340.401 0.961 10 0 ECAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)N[C@@H](C)CS(C)(=O)=O)CC2 ZINC000172590794 437021319 /nfs/dbraw/zinc/02/13/19/437021319.db2.gz FJTPJIYJEQKGGU-QWRGUYRKSA-N 0 0 343.453 0.449 10 0 ECAERN COCCS(=O)(=O)N1CCN(c2nc3ccccc3o2)CC1 ZINC000172605254 437021991 /nfs/dbraw/zinc/02/19/91/437021991.db2.gz GDYBDTHHUXZTMK-UHFFFAOYSA-N 0 0 325.390 0.926 10 0 ECAERN CCNC(=O)NC1(C(=O)N2CC[C@@H](N3CCOCC3)C2)CCCC1 ZINC000172753093 437027020 /nfs/dbraw/zinc/02/70/20/437027020.db2.gz ICKZQAZBBXEZHP-CQSZACIVSA-N 0 0 338.452 0.551 10 0 ECAERN O=C(c1ccc(-n2cnnn2)cc1)N1CC[C@@H](N2CCOCC2)C1 ZINC000172742033 437027031 /nfs/dbraw/zinc/02/70/31/437027031.db2.gz PSXLWQKBTFLWEJ-OAHLLOKOSA-N 0 0 328.376 0.209 10 0 ECAERN O=C(CN1CCC[C@@H](n2cncn2)C1)NC1CCC2(CC1)OCCO2 ZINC000171619856 436984168 /nfs/dbraw/zinc/98/41/68/436984168.db2.gz GCBZMVDPPURLPU-OAHLLOKOSA-N 0 0 349.435 0.717 10 0 ECAERN CCNC(=O)CNC(=O)N1CCN(Cc2c(C)nn(C)c2C)CC1 ZINC000172126997 436999153 /nfs/dbraw/zinc/99/91/53/436999153.db2.gz GIXUTAVEJSOHHZ-UHFFFAOYSA-N 0 0 336.440 0.000 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)NCCC(=O)N[C@H](C)CC)CC2 ZINC000172312682 437008825 /nfs/dbraw/zinc/00/88/25/437008825.db2.gz NPSBIXBBXMKDIN-NEPJUHHUSA-N 0 0 336.440 0.759 10 0 ECAERN CC[C@H](C(=O)N1CCCN(Cc2noc(C)n2)CC1)N1CCCC1=O ZINC000173287892 437045057 /nfs/dbraw/zinc/04/50/57/437045057.db2.gz VYZGJYLASQTNMN-CQSZACIVSA-N 0 0 349.435 0.813 10 0 ECAERN Cc1nc(SCC(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)n[nH]1 ZINC000173417513 437048268 /nfs/dbraw/zinc/04/82/68/437048268.db2.gz DWMCBBUNOBUJGD-CMPLNLGQSA-N 0 0 325.438 0.384 10 0 ECAERN CCn1nnnc1-c1cccc(NC(=O)NC[C@@H]2CN(C)CCO2)c1 ZINC000173440764 437049749 /nfs/dbraw/zinc/04/97/49/437049749.db2.gz LXRQKNDAORTWDU-CQSZACIVSA-N 0 0 345.407 0.812 10 0 ECAERN CNc1cc(N2CCC[C@H]2CNC(=O)Cc2cnn(C)c2)ncn1 ZINC000173441524 437051031 /nfs/dbraw/zinc/05/10/31/437051031.db2.gz RINHVPWQVSYENT-ZDUSSCGKSA-N 0 0 329.408 0.580 10 0 ECAERN CC(C)n1cc([C@@]2(O)CCN(C(=O)CN3CCCCC3=O)C2)nn1 ZINC000284675337 437060139 /nfs/dbraw/zinc/06/01/39/437060139.db2.gz RGFLQMPLNHPBRB-MRXNPFEDSA-N 0 0 335.408 0.291 10 0 ECAERN CCc1nnc([C@H]2CN(S(=O)(=O)c3c(C)noc3C)CCO2)[nH]1 ZINC000173737527 437062556 /nfs/dbraw/zinc/06/25/56/437062556.db2.gz ZQCSAUGMAZHYBH-SNVBAGLBSA-N 0 0 341.393 0.734 10 0 ECAERN O=C(NCCNC(=O)N1CC[C@@H](N2CCOCC2)C1)c1ccccc1 ZINC000173773211 437064598 /nfs/dbraw/zinc/06/45/98/437064598.db2.gz BJQUETZEVBZFHP-MRXNPFEDSA-N 0 0 346.431 0.533 10 0 ECAERN C[C@@H]1CN(C(=O)CNC(=O)CC(C)(C)C)C[C@@H]1N1CCOCC1 ZINC000173836556 437065066 /nfs/dbraw/zinc/06/50/66/437065066.db2.gz PQDMZQDFCKNZDE-KGLIPLIRSA-N 0 0 325.453 0.718 10 0 ECAERN CC(C)CC(=O)NCCC(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000173820097 437066762 /nfs/dbraw/zinc/06/67/62/437066762.db2.gz BAXHHPXEEUWBIC-LSDHHAIUSA-N 0 0 325.453 0.718 10 0 ECAERN CC(=O)Nc1cccc(NC(=O)CN2CC[C@H](N3CCOCC3)C2)c1 ZINC000173943060 437068846 /nfs/dbraw/zinc/06/88/46/437068846.db2.gz ZVJIVNRDBBIMHI-KRWDZBQOSA-N 0 0 346.431 0.990 10 0 ECAERN CNc1cc(N2CCC[C@@H]2CNC(=O)NCc2cc[nH]n2)ncn1 ZINC000174053412 437072977 /nfs/dbraw/zinc/07/29/77/437072977.db2.gz HTMKMFUYHJCITP-GFCCVEGCSA-N 0 0 330.396 0.710 10 0 ECAERN CNc1cc(N2CCC[C@@H]2CNS(=O)(=O)CCCF)ncn1 ZINC000175596494 437109057 /nfs/dbraw/zinc/10/90/57/437109057.db2.gz UIVLWKGOJBWMBV-LLVKDONJSA-N 0 0 331.417 0.766 10 0 ECAERN C[C@@H]1CN(C(=O)NCCCN2CCOCC2)C[C@H]1N1CCOCC1 ZINC000175609805 437110014 /nfs/dbraw/zinc/11/00/14/437110014.db2.gz STWMNACOLIKXRI-HZPDHXFCSA-N 0 0 340.468 0.071 10 0 ECAERN CCn1cnc2c1ncnc2N1C[C@@H](C(N)=O)[C@H](C(F)(F)F)C1 ZINC000299745312 437110706 /nfs/dbraw/zinc/11/07/06/437110706.db2.gz XUQPUEDCOVJJRH-HTQZYQBOSA-N 0 0 328.298 0.946 10 0 ECAERN NC(=O)[C@@H]1CN(c2ccnc(N3CCOCC3)n2)C[C@H]1C(F)(F)F ZINC000299745526 437110981 /nfs/dbraw/zinc/11/09/81/437110981.db2.gz ZYGSXONPVCLTLY-NXEZZACHSA-N 0 0 345.325 0.413 10 0 ECAERN Cc1nnc([C@H]2CN(c3cc(N4CCC[C@@H]4CO)ncn3)CCO2)[nH]1 ZINC000175778033 437117281 /nfs/dbraw/zinc/11/72/81/437117281.db2.gz STMWOHBUBLCHCP-CHWSQXEVSA-N 0 0 345.407 0.442 10 0 ECAERN Cc1nnc([C@@H]2CN(c3cc(N4CCC[C@@H]4CO)ncn3)CCO2)[nH]1 ZINC000175778015 437118095 /nfs/dbraw/zinc/11/80/95/437118095.db2.gz STMWOHBUBLCHCP-OLZOCXBDSA-N 0 0 345.407 0.442 10 0 ECAERN CNC(=O)c1cccnc1NCc1ccccc1S(=O)(=O)NC ZINC000301390987 437119733 /nfs/dbraw/zinc/11/97/33/437119733.db2.gz GTSWCEHGLHSHSZ-UHFFFAOYSA-N 0 0 334.401 0.961 10 0 ECAERN CCc1nnc([C@H]2CN(c3cc(CC)nc4ncnn43)CCO2)[nH]1 ZINC000301712769 437130114 /nfs/dbraw/zinc/13/01/14/437130114.db2.gz LLKAHRUZXCGXJN-LLVKDONJSA-N 0 0 328.380 0.945 10 0 ECAERN CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Cc1c(C)nc2nc(N)nn2c1C ZINC000177424463 437183716 /nfs/dbraw/zinc/18/37/16/437183716.db2.gz ZUEQUXOYJULEIP-ZDUSSCGKSA-N 0 0 345.451 0.809 10 0 ECAERN O=C(Nc1ccc(-n2nccn2)cc1)C(=O)N[C@@H]1CCCC[C@H]1CO ZINC000177549887 437190087 /nfs/dbraw/zinc/19/00/87/437190087.db2.gz UXMZVVAPCXXZJZ-SWLSCSKDSA-N 0 0 343.387 0.873 10 0 ECAERN CCOc1ccc(NC(=O)C(=O)N[C@H]2CCc3ncnn3C2)cc1 ZINC000177626824 437191380 /nfs/dbraw/zinc/19/13/80/437191380.db2.gz BUPRNQFGIYAUBO-LBPRGKRZSA-N 0 0 329.360 0.747 10 0 ECAERN Cc1cc(NC(=O)C(=O)N2CCN(C[C@@H](C)O)[C@H](C)C2)ccc1F ZINC000177607612 437192835 /nfs/dbraw/zinc/19/28/35/437192835.db2.gz QVOVQHOJQJDTGX-CHWSQXEVSA-N 0 0 337.395 0.986 10 0 ECAERN Cc1cc(N2CCC[C@@H](NC(=O)c3ccc(C=O)[nH]3)C2=O)n(C)n1 ZINC000177656841 437193373 /nfs/dbraw/zinc/19/33/73/437193373.db2.gz WEDUMVFQJWWJPL-CYBMUJFWSA-N 0 0 329.360 0.795 10 0 ECAERN CCOc1ccccc1NC(=O)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000177635804 437194505 /nfs/dbraw/zinc/19/45/05/437194505.db2.gz AFMFFFJINFTAKS-LLVKDONJSA-N 0 0 329.360 0.747 10 0 ECAERN Cn1cc([C@H]2CCN(C(=O)[C@@H]3CC(=O)N(c4cn[nH]c4)C3)C2)cn1 ZINC000178246740 437210286 /nfs/dbraw/zinc/21/02/86/437210286.db2.gz MUEIIKCQQZVSLS-NWDGAFQWSA-N 0 0 328.376 0.512 10 0 ECAERN CNC(=O)[C@H](NC(=O)NCc1ccc([S@@](C)=O)cc1)C(C)C ZINC000178451849 437215767 /nfs/dbraw/zinc/21/57/67/437215767.db2.gz GNTINUDGQAOSIS-MCMMXHMISA-N 0 0 325.434 0.994 10 0 ECAERN CNC(=O)[C@H](NC(=O)Cc1nnc(-c2ccccc2)n1C)C(C)C ZINC000178861918 437236535 /nfs/dbraw/zinc/23/65/35/437236535.db2.gz AHQUSDMKSONNON-OAHLLOKOSA-N 0 0 329.404 0.911 10 0 ECAERN CNC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCn3ccnc3C2)cc1 ZINC000328627138 437241934 /nfs/dbraw/zinc/24/19/34/437241934.db2.gz MLAURRTZRMMHSN-GFCCVEGCSA-N 0 0 348.428 0.784 10 0 ECAERN Cc1nc(S(=O)(=O)N[C@@H]2CCO[C@@H]2C)c(Br)n1C ZINC000287883790 437249337 /nfs/dbraw/zinc/24/93/37/437249337.db2.gz QWENKKOKAYLLGM-HTRCEHHLSA-N 0 0 338.227 0.947 10 0 ECAERN CNC(=O)[C@H](NC(=O)C(=O)Nc1ccc(F)c(F)c1F)C(C)C ZINC000179081021 437250470 /nfs/dbraw/zinc/25/04/70/437250470.db2.gz FCKDBFSTHDAVAU-LLVKDONJSA-N 0 0 331.294 0.929 10 0 ECAERN O=C(CN1C[C@H](O)C[C@@H]1CO)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000179170718 437252842 /nfs/dbraw/zinc/25/28/42/437252842.db2.gz QPGHDSVXGJZMIR-USXIJHARSA-N 0 0 333.432 0.057 10 0 ECAERN CN(Cc1ccc(OC(F)F)cc1)C(=O)CN1C[C@H](O)C[C@@H]1CO ZINC000179183368 437254729 /nfs/dbraw/zinc/25/47/29/437254729.db2.gz CCIGONIRQRMJRQ-CHWSQXEVSA-N 0 0 344.358 0.674 10 0 ECAERN CC(C)n1nccc1NC(=O)C(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000180258637 437284762 /nfs/dbraw/zinc/28/47/62/437284762.db2.gz NRYUXEGCVKOREP-KGLIPLIRSA-N 0 0 349.435 0.582 10 0 ECAERN C[C@H]1CN(C(=O)C(=O)Nc2ccccc2F)C[C@@H]1N1CCOCC1 ZINC000180259618 437285680 /nfs/dbraw/zinc/28/56/80/437285680.db2.gz OPECNAOYQRCVEX-WFASDCNBSA-N 0 0 335.379 0.943 10 0 ECAERN Cc1ccc(NC(=O)C(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)cn1 ZINC000180259449 437285947 /nfs/dbraw/zinc/28/59/47/437285947.db2.gz CCVHGPQSWDXHAL-DOMZBBRYSA-N 0 0 332.404 0.508 10 0 ECAERN CN1CCc2ccc(NC(=O)C(=O)N[C@H]3CCCn4ncnc43)cc21 ZINC000180699637 437298534 /nfs/dbraw/zinc/29/85/34/437298534.db2.gz QIQJFCQJIZWFRH-ZDUSSCGKSA-N 0 0 340.387 0.860 10 0 ECAERN COCC(=O)NC1CN(C[C@H](O)CO[C@@H]2CCCc3ccccc32)C1 ZINC000185091594 437425003 /nfs/dbraw/zinc/42/50/03/437425003.db2.gz OFDBHNUAUYPULK-FUHWJXTLSA-N 0 0 348.443 0.888 10 0 ECAERN O=C(CN1C[C@H](O)C[C@@H]1CO)Nc1ccc(N2CCCCC2)nc1 ZINC000185154028 437428406 /nfs/dbraw/zinc/42/84/06/437428406.db2.gz DESSUVBVZJENIN-HUUCEWRRSA-N 0 0 334.420 0.438 10 0 ECAERN Cn1cc(NC(=O)C(=O)N2CC[C@]3(O)CCCC[C@H]3C2)ccc1=O ZINC000183135759 437377840 /nfs/dbraw/zinc/37/78/40/437377840.db2.gz YFGXFLUGHCEFFE-YVEFUNNKSA-N 0 0 333.388 0.477 10 0 ECAERN CCCCN1CCOC[C@H]1C(=O)NCCNC(=O)c1cccnc1 ZINC000184264070 437398153 /nfs/dbraw/zinc/39/81/53/437398153.db2.gz SAFLEEKYWCZXGN-HNNXBMFYSA-N 0 0 334.420 0.429 10 0 ECAERN COCC(=O)NC1CN(C(=O)[C@H]2CCCN2Cc2ccc(F)cc2)C1 ZINC000186316230 437469698 /nfs/dbraw/zinc/46/96/98/437469698.db2.gz QFPGRULSDRXIMZ-MRXNPFEDSA-N 0 0 349.406 0.764 10 0 ECAERN CN1CCO[C@H](CNS(=O)(=O)c2c[nH]c3cccc(F)c32)C1 ZINC000186618207 437479494 /nfs/dbraw/zinc/47/94/94/437479494.db2.gz YQIXJDZOUKJFJM-SNVBAGLBSA-N 0 0 327.381 0.916 10 0 ECAERN COCC(=O)NC1CN(C(=O)c2cnc(-c3ccccn3)s2)C1 ZINC000185275848 437434996 /nfs/dbraw/zinc/43/49/96/437434996.db2.gz VSDLQDLYIMWBHL-UHFFFAOYSA-N 0 0 332.385 0.792 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)N(CCO)CCCOC)CC2 ZINC000187178489 437493825 /nfs/dbraw/zinc/49/38/25/437493825.db2.gz DOMKVWQMTYMCSI-GFCCVEGCSA-N 0 0 325.413 0.196 10 0 ECAERN CCc1ccc(S(=O)(=O)N2CC(NC(=O)COC)C2)cc1CC ZINC000187712786 437511936 /nfs/dbraw/zinc/51/19/36/437511936.db2.gz KSJCYEZLIXTUOT-UHFFFAOYSA-N 0 0 340.445 0.947 10 0 ECAERN COCC(=O)NC1CN(C(=O)NCCn2c(C)nc3ccccc32)C1 ZINC000188238842 437536359 /nfs/dbraw/zinc/53/63/59/437536359.db2.gz RCOXJFZKHCZECQ-UHFFFAOYSA-N 0 0 345.403 0.501 10 0 ECAERN CS(=O)(=O)c1cc(C(=O)N2CC(NC(=O)C3CCC3)C2)cs1 ZINC000188488024 437551221 /nfs/dbraw/zinc/55/12/21/437551221.db2.gz FOSQSOPDVJKUBX-UHFFFAOYSA-N 0 0 342.442 0.892 10 0 ECAERN COCC(=O)NC1CN(C(=O)NCc2cccc3cccnc32)C1 ZINC000188547343 437553710 /nfs/dbraw/zinc/55/37/10/437553710.db2.gz MHICJDYBDGQION-UHFFFAOYSA-N 0 0 328.372 0.891 10 0 ECAERN CCOc1cc(C)nc(N2CCN([C@H](C)c3nnnn3C)CC2)n1 ZINC000189197479 437587048 /nfs/dbraw/zinc/58/70/48/437587048.db2.gz JZODGWOHGCCYRB-GFCCVEGCSA-N 0 0 332.412 0.590 10 0 ECAERN CCn1cc([C@@H]2CN(CCN3C(=O)NC(C)(C)C3=O)CCO2)cn1 ZINC000190801739 437638135 /nfs/dbraw/zinc/63/81/35/437638135.db2.gz XMTIEPZRSSMMKA-ZDUSSCGKSA-N 0 0 335.408 0.607 10 0 ECAERN C[C@H](CNC(=O)C(=O)Nc1ccnn1[C@H](C)C1CC1)N1CCOCC1 ZINC000191976294 437657330 /nfs/dbraw/zinc/65/73/30/437657330.db2.gz DWGAQGFYTLIDFD-CHWSQXEVSA-N 0 0 349.435 0.630 10 0 ECAERN CCCc1cnc(NC(=O)C(=O)NC[C@H]2CN(C)CCO2)s1 ZINC000190494516 437625391 /nfs/dbraw/zinc/62/53/91/437625391.db2.gz UFAHVJNZGLCGNY-JTQLQIEISA-N 0 0 326.422 0.481 10 0 ECAERN CN(C)C[C@H]1CN(CCS(=O)(=O)c2ccc(F)cc2)CCO1 ZINC000192577924 437683071 /nfs/dbraw/zinc/68/30/71/437683071.db2.gz QPKWFJZBONOQPD-AWEZNQCLSA-N 0 0 330.425 0.862 10 0 ECAERN CC[C@@H]1CN(C(=O)C(=O)Nc2ccc(F)cn2)CCN1C[C@@H](C)O ZINC000193471820 437708015 /nfs/dbraw/zinc/70/80/15/437708015.db2.gz KJKRIJKCBFEAOB-DGCLKSJQSA-N 0 0 338.383 0.463 10 0 ECAERN CCOC(=O)[C@H]1CCCN1S(=O)(=O)N1CCN2CCCC[C@@H]2C1 ZINC000365104848 437860971 /nfs/dbraw/zinc/86/09/71/437860971.db2.gz KZXJITCGBODAMD-ZIAGYGMSSA-N 0 0 345.465 0.429 10 0 ECAERN CC(=O)N1CCC[C@@](O)(C(=O)NCc2ccc3c(n2)CCCC3)C1 ZINC000347778587 437958257 /nfs/dbraw/zinc/95/82/57/437958257.db2.gz UJHCFJSKCURYQJ-SFHVURJKSA-N 0 0 331.416 0.950 10 0 ECAERN CN(CC(N)=O)C[C@@H]1CN(CCOc2ccccc2F)CCO1 ZINC000367050394 438159306 /nfs/dbraw/zinc/15/93/06/438159306.db2.gz ORNFLYOKLPAAPK-CYBMUJFWSA-N 0 0 325.384 0.322 10 0 ECAERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000389233720 438428163 /nfs/dbraw/zinc/42/81/63/438428163.db2.gz YDBNORKUERYECY-WCABBAIRSA-N 0 0 345.339 0.657 10 0 ECAERN C[C@@H]1CCCN(C(=O)C(=O)N2CCN(C)[C@@H](c3nccn3C)C2)C1 ZINC000369352938 438458526 /nfs/dbraw/zinc/45/85/26/438458526.db2.gz LVJBZESGUCINNU-ZIAGYGMSSA-N 0 0 333.436 0.494 10 0 ECAERN CCC(=O)N1CSC[C@@H]1C(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000369690952 438505911 /nfs/dbraw/zinc/50/59/11/438505911.db2.gz ZETXBWFEVLOHNZ-MGPQQGTHSA-N 0 0 341.477 0.477 10 0 ECAERN CSCC[C@@H](O)C(=O)N1CC[C@H](Nc2ccc3nccn3n2)C1 ZINC000580801605 439131976 /nfs/dbraw/zinc/13/19/76/439131976.db2.gz QGLGEUIXVVUEMJ-NWDGAFQWSA-N 0 0 335.433 0.856 10 0 ECAERN CC(C)n1cc([C@]2(O)CCCN(CC(=O)NCC(F)(F)F)C2)nn1 ZINC000583615080 439486734 /nfs/dbraw/zinc/48/67/34/439486734.db2.gz BYRDRVWADLKCTQ-ZDUSSCGKSA-N 0 0 349.357 0.821 10 0 ECAERN Cn1nc(C(=O)N[C@@H]2C[C@H](O)[C@H]2n2cccn2)cc1OC(F)F ZINC000616774023 439822001 /nfs/dbraw/zinc/82/20/01/439822001.db2.gz CNWVGAHOAXCQII-HDBBIHSSSA-N 0 0 327.291 0.322 10 0 ECAERN C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)O2)N1C(=O)c2ccccc2C1=O ZINC000644102795 440444198 /nfs/dbraw/zinc/44/41/98/440444198.db2.gz AIOXTVZNTAXUEH-SDDRHHMPSA-N 0 0 330.340 0.297 10 0 ECAERN Cn1ccnc1[C@@H]1OCC[C@H]1CNS(=O)(=O)CC1CCOCC1 ZINC000659997415 440562618 /nfs/dbraw/zinc/56/26/18/440562618.db2.gz CIFCHNDHTWGNDK-UONOGXRCSA-N 0 0 343.449 0.844 10 0 ECAERN Cc1cnn(CC2CCN(C(=O)CN3CCCC[C@@H](O)C3=O)CC2)c1 ZINC000644372550 440553207 /nfs/dbraw/zinc/55/32/07/440553207.db2.gz GUPPOGBUAQXTDV-MRXNPFEDSA-N 0 0 348.447 0.804 10 0 ECAERN Cn1ccnc1[C@@H]1[C@@H](CNS(C)(=O)=O)CCC(=O)N1C1CC1 ZINC000660160312 440612675 /nfs/dbraw/zinc/61/26/75/440612675.db2.gz SCAQUFORSWLHKJ-MFKMUULPSA-N 0 0 326.422 0.411 10 0 ECAERN CCN(C)C(=O)CNCc1c(C(C)C)nn(C)c1N1CCOCC1 ZINC000185186251 320535606 /nfs/dbraw/zinc/53/56/06/320535606.db2.gz FDEQVRAKEVJVFN-UHFFFAOYSA-N 0 0 337.468 0.948 10 0 ECAERN O=C(C[C@H]1COCCN1C[C@@H](O)CN1CCCC1=O)c1ccco1 ZINC000249311171 320545699 /nfs/dbraw/zinc/54/56/99/320545699.db2.gz DURRJXXTNURTGC-UONOGXRCSA-N 0 0 336.388 0.537 10 0 ECAERN CCc1cc(=O)[nH]c(CN2C[C@@H](OC)C[C@H]2C(=O)N2CCCC2)n1 ZINC000284716175 320633149 /nfs/dbraw/zinc/63/31/49/320633149.db2.gz RYLBZFKATVURSD-KBPBESRZSA-N 0 0 334.420 0.956 10 0 ECAERN O=S(=O)(N[C@@H]1CCS(=O)(=O)C1)c1cnc2ccc(F)cc2c1 ZINC000329265551 320763112 /nfs/dbraw/zinc/76/31/12/320763112.db2.gz HCYURPFZLCKWGY-LLVKDONJSA-N 0 0 344.389 0.839 10 0 ECAERN CN(C(=O)C1(CC(=O)N2CCOCC2)CCCC1)[C@@H]1COC[C@H]1O ZINC000329401703 320770270 /nfs/dbraw/zinc/77/02/70/320770270.db2.gz WFUDPFYKONHDIT-ZIAGYGMSSA-N 0 0 340.420 0.014 10 0 ECAERN C[C@H]1CCN(S(=O)(=O)C2CN(C(=O)c3ccccc3)C2)C[C@@H]1O ZINC000329524733 320776927 /nfs/dbraw/zinc/77/69/27/320776927.db2.gz GWTFALOAPWLVGE-WFASDCNBSA-N 0 0 338.429 0.544 10 0 ECAERN CN1C(=O)N(CC(=O)N2C[C@@H](F)C[C@H]2CO)C(=O)C12CCCCC2 ZINC000366664038 321675539 /nfs/dbraw/zinc/67/55/39/321675539.db2.gz OCRYESAYVAYQEV-RYUDHWBXSA-N 0 0 341.383 0.515 10 0 ECAERN CC(=O)N1CCOC[C@H]1C(=O)NCCOc1ncccc1Cl ZINC000372839801 321787348 /nfs/dbraw/zinc/78/73/48/321787348.db2.gz JHJRSKWNDDMVGZ-LBPRGKRZSA-N 0 0 327.768 0.477 10 0 ECAERN O=C(Nc1cccnc1-n1cccn1)C(=O)N[C@@H]1CCCC[C@@H]1CO ZINC000130629278 534410766 /nfs/dbraw/zinc/41/07/66/534410766.db2.gz CUKDBSUPCJYQAC-CHWSQXEVSA-N 0 0 343.387 0.873 10 0 ECAERN O=C([C@H](O)c1ccccc1)N1CCN(c2ccc3nncn3n2)CC1 ZINC000175008401 534622879 /nfs/dbraw/zinc/62/28/79/534622879.db2.gz YHMWQWKCOKHXSC-MRXNPFEDSA-N 0 0 338.371 0.507 10 0 ECAERN Cn1cc(C(=O)C(=O)N2CCN(C[C@H](O)c3ccccc3)CC2)cn1 ZINC000171558846 534728801 /nfs/dbraw/zinc/72/88/01/534728801.db2.gz OXLICBZGEUDZOB-INIZCTEOSA-N 0 0 342.399 0.481 10 0 ECAERN CC(=O)NC1CN(C(=O)NC2CCN(c3cc(C)nc(C)n3)CC2)C1 ZINC000190239254 526707001 /nfs/dbraw/zinc/70/70/01/526707001.db2.gz KIEPVGZJFIXJTG-UHFFFAOYSA-N 0 0 346.435 0.592 10 0 ECAERN CC(=O)NC1CN(C(=O)NCCNc2nccc(C(F)(F)F)n2)C1 ZINC000190166109 526708231 /nfs/dbraw/zinc/70/82/31/526708231.db2.gz HQEUNNVMAIXMCH-UHFFFAOYSA-N 0 0 346.313 0.437 10 0 ECAERN CC(=O)NCCCNC(=O)N(C)[C@H]1CCCN(c2cccnn2)C1 ZINC000152250095 526737811 /nfs/dbraw/zinc/73/78/11/526737811.db2.gz FLOFMDQEDFXVDB-AWEZNQCLSA-N 0 0 334.424 0.613 10 0 ECAERN NC(=S)c1cccc(CS(=O)(=O)N2CCC[C@@H](CO)C2)c1 ZINC000038005343 527121044 /nfs/dbraw/zinc/12/10/44/527121044.db2.gz OMMPDOVXZQWCMN-GFCCVEGCSA-N 0 0 328.459 0.855 10 0 ECAERN CC(C)[C@H]1C(=O)NCCN1C(=O)Nc1ccnn1C[C@H]1CCOC1 ZINC000187790840 527755879 /nfs/dbraw/zinc/75/58/79/527755879.db2.gz YDMVRXUOFIZCPY-OCCSQVGLSA-N 0 0 335.408 0.908 10 0 ECAERN CCOCCS(=O)(=O)N(C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000172459670 528849259 /nfs/dbraw/zinc/84/92/59/528849259.db2.gz PDSLZUTXSURLNU-CYBMUJFWSA-N 0 0 328.438 0.744 10 0 ECAERN CCCC[C@H](NC(N)=O)C(=O)N[C@H]1CCCN(c2cccnn2)C1 ZINC000135285082 528990654 /nfs/dbraw/zinc/99/06/54/528990654.db2.gz IVNVZBBZVHCHLR-STQMWFEESA-N 0 0 334.424 0.789 10 0 ECAERN NS(=O)(=O)N1CCC[C@H]1C(=O)OCCOc1cccc(Cl)c1 ZINC000036395826 534973400 /nfs/dbraw/zinc/97/34/00/534973400.db2.gz AHOVKIKYJNBPNE-LBPRGKRZSA-N 0 0 348.808 0.930 10 0 ECAERN Cn1c(NCCO)nc2c1c(=O)n(Cc1cccc(F)c1)c(=O)n2C ZINC000002488389 545655529 /nfs/dbraw/zinc/65/55/29/545655529.db2.gz RQPRSHHOOQRVNX-UHFFFAOYSA-N 0 0 347.350 0.025 10 0 ECAERN CCOC(=O)NCCC(=O)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000105828083 545737691 /nfs/dbraw/zinc/73/76/91/545737691.db2.gz HAFSTTVHWVNWRI-UHFFFAOYSA-N 0 0 337.424 0.591 10 0 ECAERN CCCn1cc(CN2CCCN(C(=O)[C@@H]3CNC(=O)C3)CC2)cn1 ZINC000105834652 545739163 /nfs/dbraw/zinc/73/91/63/545739163.db2.gz NFHQQYQDDNFTQL-HNNXBMFYSA-N 0 0 333.436 0.464 10 0 ECAERN COCCN1CCN(CC(=O)Nc2ccccc2C(N)=O)C[C@@H]1C ZINC000105833203 545739831 /nfs/dbraw/zinc/73/98/31/545739831.db2.gz WXKQMRHKHNYGRO-ZDUSSCGKSA-N 0 0 334.420 0.377 10 0 ECAERN CC[C@H](OC1CCCCC1)C(=O)NC[C@@H](O)CN1CCOCC1 ZINC000132360612 545790627 /nfs/dbraw/zinc/79/06/27/545790627.db2.gz WWFPYTMHGSSJCY-ZBFHGGJFSA-N 0 0 328.453 0.924 10 0 ECAERN CC(C)(C)n1cc(NC(=O)C(=O)N2CC(NC(=O)C3CC3)C2)cn1 ZINC000187986525 545901996 /nfs/dbraw/zinc/90/19/96/545901996.db2.gz AQMQAVKQPLCKOS-UHFFFAOYSA-N 0 0 333.392 0.314 10 0 ECAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CCN(C)C[C@H]1c1ccccc1 ZINC000188518480 545903287 /nfs/dbraw/zinc/90/32/87/545903287.db2.gz PUCXOPCZFWVACH-ZACQAIPSSA-N 0 0 331.416 0.483 10 0 ECAERN COCC(=O)NC1CN(C(=O)c2ncc(Br)s2)C1 ZINC000192506157 545910146 /nfs/dbraw/zinc/91/01/46/545910146.db2.gz MOWNHMRGWMVJEM-UHFFFAOYSA-N 0 0 334.195 0.493 10 0 ECAERN CN1CCO[C@H](CNC(=O)N[C@H]2CCN(C(=O)C3CCCC3)C2)C1 ZINC000246600863 545939833 /nfs/dbraw/zinc/93/98/33/545939833.db2.gz SRDIZVFXUHYDGS-LSDHHAIUSA-N 0 0 338.452 0.407 10 0 ECAERN CC(=O)N1CC(C(=O)N2C[C@@H](C)O[C@@H](c3nc(C4CC4)no3)C2)C1 ZINC000623173463 546744297 /nfs/dbraw/zinc/74/42/97/546744297.db2.gz HOFZAWUNJYMJCS-NOZJJQNGSA-N 0 0 334.376 0.714 10 0 ECAERN CCn1cc(O[C@@H]2CN(c3cc(C)nc4ncnn43)C[C@H]2O)cn1 ZINC000624420239 546922026 /nfs/dbraw/zinc/92/20/26/546922026.db2.gz MPOAWZRLPWHHKB-CHWSQXEVSA-N 0 0 329.364 0.278 10 0 ECAERN Cn1cc(O[C@@H]2CN(c3ccc(C(F)(F)F)nn3)C[C@H]2O)cn1 ZINC000624423044 546923557 /nfs/dbraw/zinc/92/35/57/546923557.db2.gz QWZPZHFLPPDTTQ-NXEZZACHSA-N 0 0 329.282 0.857 10 0 ECAERN CCc1nnc2ccc(N3C[C@@H](O)[C@H](Oc4cnn(C)c4)C3)nn21 ZINC000624422772 546923937 /nfs/dbraw/zinc/92/39/37/546923937.db2.gz HEAOAQNJXNYXAR-VXGBXAGGSA-N 0 0 329.364 0.049 10 0 ECAERN Cn1ncc(Br)c1CN1CC[C@](O)(Cn2ccnn2)C1 ZINC000671492636 548160582 /nfs/dbraw/zinc/16/05/82/548160582.db2.gz YWZWBQZRSCZHRZ-GFCCVEGCSA-N 0 0 341.213 0.411 10 0 ECAERN CS(=O)(=O)c1cnn(-c2ncc(CO)cc2Br)c1 ZINC000725251399 549729592 /nfs/dbraw/zinc/72/95/92/549729592.db2.gz GYQFUYSXUAKSNG-UHFFFAOYSA-N 0 0 332.179 0.926 10 0 ECAERN CO[C@@H]1COC[C@H]1n1cc(C(=O)N2CCC(=O)C[C@@H]2C2CC2)nn1 ZINC000891804390 586197387 /nfs/dbraw/zinc/19/73/87/586197387.db2.gz RICHAHOEKYUTBJ-RBSFLKMASA-N 0 0 334.376 0.448 10 0 ECAERN CCN1CCO[C@@H](CNC(=O)c2ncc(C)o2)[C@@H]1c1nccn1C ZINC000888078759 586246232 /nfs/dbraw/zinc/24/62/32/586246232.db2.gz WGVSHRWXVOORMV-QWHCGFSZSA-N 0 0 333.392 0.908 10 0 ECAERN O=C(NC[C@@H](O)CN1CCOCC1)c1csc(-c2ccccn2)n1 ZINC000128126450 586252832 /nfs/dbraw/zinc/25/28/32/586252832.db2.gz HODZILRGRWHZLH-GFCCVEGCSA-N 0 0 348.428 0.628 10 0 ECAERN Cn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2cc3c([nH]2)CCOC3)cn1 ZINC000888093495 586348480 /nfs/dbraw/zinc/34/84/80/586348480.db2.gz ABFFODMYPLALSV-LSDHHAIUSA-N 0 0 332.360 0.397 10 0 ECAERN COc1ccc(C(=O)N2CC(N3CCOC[C@H]3c3nc(C)no3)C2)o1 ZINC000888094200 586348537 /nfs/dbraw/zinc/34/85/37/586348537.db2.gz WDDXSBKPYOFDOD-LBPRGKRZSA-N 0 0 348.359 0.878 10 0 ECAERN O=C(NC[C@@H](O)CN1CCOCC1)c1c[nH]c(=O)cc1C(F)(F)F ZINC000900152067 586529129 /nfs/dbraw/zinc/52/91/29/586529129.db2.gz YFSXXESTUYZHRD-SECBINFHSA-N 0 0 349.309 0.229 10 0 ECAERN CCOCCN1CCN(C(=O)c2ccnc3[nH]c(=O)[nH]c32)C[C@@H]1C ZINC000900743149 586661695 /nfs/dbraw/zinc/66/16/95/586661695.db2.gz AHCJHZWJONHFEK-NSHDSACASA-N 0 0 333.392 0.846 10 0 ECAERN C[C@H]1OCC[C@H]1NC(=O)CSc1ccc(S(N)(=O)=O)cc1 ZINC000901264250 586705424 /nfs/dbraw/zinc/70/54/24/586705424.db2.gz YXBTUJHIOOLQAP-BXKDBHETSA-N 0 0 330.431 0.720 10 0 ECAERN Cn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2[nH]ncc2C(F)(F)F)cn1 ZINC000869431582 589965415 /nfs/dbraw/zinc/96/54/15/589965415.db2.gz WXHKTRSBHAFKPM-VHSXEESVSA-N 0 0 345.281 0.738 10 0 ECAERN CCn1nc(C)c(CN2CC(N3C[C@@H](c4nc(C)no4)CC3=O)C2)n1 ZINC000864311318 590068623 /nfs/dbraw/zinc/06/86/23/590068623.db2.gz YNBWXYYHCZFPEL-LBPRGKRZSA-N 0 0 345.407 0.498 10 0 ECAERN CC[C@]1(c2cnn(C)c2)NC(=O)N(CN2CCC([C@@H](C)O)CC2)C1=O ZINC000124197806 590139711 /nfs/dbraw/zinc/13/97/11/590139711.db2.gz LIWHAJKAWPEPPQ-SJKOYZFVSA-N 0 0 349.435 0.628 10 0 ECAERN CCCCN(CC(F)(F)F)C(=O)C[C@@H]1CS(=O)(=O)CCN1 ZINC000126583837 590470394 /nfs/dbraw/zinc/47/03/94/590470394.db2.gz PHTAJAQOKVDVGP-SNVBAGLBSA-N 0 0 330.372 0.954 10 0 ECAERN O=S(=O)(/C=C/c1ccccc1)NCCN1CCCS1(=O)=O ZINC000127245617 590533105 /nfs/dbraw/zinc/53/31/05/590533105.db2.gz NWDAFVWOZIQZDW-KPKJPENVSA-N 0 0 330.431 0.612 10 0 ECAERN Cc1nc(C[C@@H]2CCCN(Cn3nc4cnccn4c3=O)C2)no1 ZINC000132390800 590634101 /nfs/dbraw/zinc/63/41/01/590634101.db2.gz MQMAYMDLRPPFOM-LBPRGKRZSA-N 0 0 329.364 0.495 10 0 ECAERN Cn1nccc1C1CCN(Cn2nnc3c(cnn3C)c2=O)CC1 ZINC000132652049 590655549 /nfs/dbraw/zinc/65/55/49/590655549.db2.gz LMDWQCJJASCIPH-UHFFFAOYSA-N 0 0 328.380 0.096 10 0 ECAERN Cc1cnn([C@H]2CCCN(Cn3nnc4c(cnn4C)c3=O)C2)c1 ZINC000132661477 590655608 /nfs/dbraw/zinc/65/56/08/590655608.db2.gz WPERPFQKVCRHSV-LBPRGKRZSA-N 0 0 328.380 0.325 10 0 ECAERN CCCn1[nH]ccc1=NC(=O)CN1CCC[C@@H]1[C@@H]1COCC[C@@H]1O ZINC000886026727 590786663 /nfs/dbraw/zinc/78/66/63/590786663.db2.gz QYGMWYPZUDDDCS-ZNMIVQPWSA-N 0 0 336.436 0.515 10 0 ECAERN Cn1nccc1[C@H]1[C@H](CNC(=O)COc2cccnc2)OCCN1C ZINC000886027159 590787228 /nfs/dbraw/zinc/78/72/28/590787228.db2.gz KSJAOBZYOBQUDN-RDJZCZTQSA-N 0 0 345.403 0.382 10 0 ECAERN COCCS(=O)(=O)N[C@H]1CC[C@H](C(F)(F)F)N(C(C)=O)C1 ZINC000886039141 590787795 /nfs/dbraw/zinc/78/77/95/590787795.db2.gz KFTUSRQXXYSOBV-VHSXEESVSA-N 0 0 332.344 0.494 10 0 ECAERN COc1ncc(Cl)c(N2CCC[C@@](O)(Cc3nncn3C)C2)n1 ZINC000886065738 590789866 /nfs/dbraw/zinc/78/98/66/590789866.db2.gz SFARWTIFSTYRLF-CQSZACIVSA-N 0 0 338.799 0.841 10 0 ECAERN CO[C@@H]1CN(C(=O)c2ccc(N(C)C)nc2)C[C@H]1c1cn(C)nn1 ZINC000886075366 590790695 /nfs/dbraw/zinc/79/06/95/590790695.db2.gz KKZNCOVVFQVOKJ-GXTWGEPZSA-N 0 0 330.392 0.531 10 0 ECAERN O=C([C@@H]1COCCN1C1CCCC1)N1CC(c2cc(CO)on2)C1 ZINC000886085490 590793491 /nfs/dbraw/zinc/79/34/91/590793491.db2.gz IIJCGTDWJQBCNP-INIZCTEOSA-N 0 0 335.404 0.736 10 0 ECAERN O=C([O-])[C@]1([NH+]2CCN(c3nccc(C(F)(F)F)n3)CC2)CCOC1 ZINC000886095459 590794926 /nfs/dbraw/zinc/79/49/26/590794926.db2.gz XBZFKAGMOMWLNJ-ZDUSSCGKSA-N 0 0 346.309 0.861 10 0 ECAERN O=C(N[C@@H]1C[C@@H](O)C12CCOCC2)c1cccc(Cn2ccnn2)c1 ZINC000886992295 590914396 /nfs/dbraw/zinc/91/43/96/590914396.db2.gz OLABDBJWLMQXMF-HZPDHXFCSA-N 0 0 342.399 0.986 10 0 ECAERN O=C(N[C@@H]1C[C@@H](O)C12CCOCC2)c1cc(N2CCOCC2)ccn1 ZINC000887027472 590928038 /nfs/dbraw/zinc/92/80/38/590928038.db2.gz SHIIPGLOHGFUKY-HZPDHXFCSA-N 0 0 347.415 0.578 10 0 ECAERN CN1CCN(C[C@@H]2CCCS2(=O)=O)C[C@@H]1c1nc(C2CC2)no1 ZINC000930392587 611418500 /nfs/dbraw/zinc/41/85/00/611418500.db2.gz HSMYHXZTXTYOPE-QWHCGFSZSA-N 0 0 340.449 0.813 10 0 ECAERN CN1CCN(C[C@H]2CCCS2(=O)=O)C[C@H]1c1nc(C2CC2)no1 ZINC000930392586 611418699 /nfs/dbraw/zinc/41/86/99/611418699.db2.gz HSMYHXZTXTYOPE-OLZOCXBDSA-N 0 0 340.449 0.813 10 0 ECAERN Cn1c2ccncc2n(CN2CCO[C@H](Cn3cccn3)C2)c1=O ZINC000160610613 608690094 /nfs/dbraw/zinc/69/00/94/608690094.db2.gz KEFKMFYZTQGUHU-ZDUSSCGKSA-N 0 0 328.376 0.290 10 0 ECAERN Cc1cc(C)c(CNC(=O)[C@@H](CC(C)C)NS(C)(=O)=O)c(=O)[nH]1 ZINC000072240618 608731012 /nfs/dbraw/zinc/73/10/12/608731012.db2.gz YEGARTDVJPHPPB-CYBMUJFWSA-N 0 0 343.449 0.572 10 0 ECAERN CNC(=O)[C@H](NC(=O)C(=O)Nc1cnc(Cl)cc1C)C(C)C ZINC000179080883 608904182 /nfs/dbraw/zinc/90/41/82/608904182.db2.gz XRDHRPUPAIAUCO-LLVKDONJSA-N 0 0 326.784 0.869 10 0 ECAERN Cc1cn([C@@H]2C[C@H](OC(=O)c3ccccc3)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC000169416109 609034923 /nfs/dbraw/zinc/03/49/23/609034923.db2.gz CZRPYTUJUAJMJJ-MJBXVCDLSA-N 0 0 346.339 0.350 10 0 ECAERN O=C(COCC(=O)N1CCCC1)NCCc1nnc2ccccn21 ZINC000222421382 609072147 /nfs/dbraw/zinc/07/21/47/609072147.db2.gz LUDKSVSFCZJFBB-UHFFFAOYSA-N 0 0 331.376 0.027 10 0 ECAERN CN1C(=O)CN(CN2CCN(c3nc4ccccc4o3)CC2)C1=O ZINC000182282453 609102333 /nfs/dbraw/zinc/10/23/33/609102333.db2.gz POFQMYGGNNIDMM-UHFFFAOYSA-N 0 0 329.360 0.801 10 0 ECAERN C=CC(=O)N(CC)CC(=O)N1CC[C@@](O)(c2cn(C(C)C)nn2)C1 ZINC000908091483 609643021 /nfs/dbraw/zinc/64/30/21/609643021.db2.gz FHAJMYVKLIUWTG-INIZCTEOSA-N 0 0 335.408 0.313 10 0 ECAERN CC(C)O[C@@]1(C(=O)N2CCN(c3cc(F)ncn3)CC2)CCOC1 ZINC000908886642 609667229 /nfs/dbraw/zinc/66/72/29/609667229.db2.gz WEKKQIPNVYHNBK-INIZCTEOSA-N 0 0 338.383 0.848 10 0 ECAERN O=C(NCCc1nnc2ccccn21)[C@@H]1CO[C@H]2C=CC=C[C@@H]2O1 ZINC000222422283 609701152 /nfs/dbraw/zinc/70/11/52/609701152.db2.gz DBNPQMIJPRIYLE-IHRRRGAJSA-N 0 0 326.356 0.667 10 0 ECAERN Cc1cc(C)n(CCC(=O)N2CC[C@@H](CC(=O)N3CCOCC3)C2)n1 ZINC000169776381 609745735 /nfs/dbraw/zinc/74/57/35/609745735.db2.gz MTKQXRIWOKFBOT-INIZCTEOSA-N 0 0 348.447 0.987 10 0 ECAERN CNC(=O)[C@@H]1CN(C(=O)Cc2ccsc2)C[C@H]1c1nnc(C)[nH]1 ZINC000169791278 609747241 /nfs/dbraw/zinc/74/72/41/609747241.db2.gz VTORUAZJNQWCAU-VXGBXAGGSA-N 0 0 333.417 0.705 10 0 ECAERN CC(C)CN1C(=O)C(=O)N(CN2CCC[C@H]2c2cnn(C)c2)C1=O ZINC000171361882 609760291 /nfs/dbraw/zinc/76/02/91/609760291.db2.gz RPGKTWNPNUUJLL-ZDUSSCGKSA-N 0 0 333.392 0.961 10 0 ECAERN CNC(=O)NCCNC(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1ccccc1 ZINC000910899988 609777537 /nfs/dbraw/zinc/77/75/37/609777537.db2.gz ZQATZPNPCKDZMJ-UKRRQHHQSA-N 0 0 332.404 0.641 10 0 ECAERN COC(=O)c1ncn(CN2CCO[C@@H](Cn3nc(C)cc3C)C2)n1 ZINC000152885618 609885667 /nfs/dbraw/zinc/88/56/67/609885667.db2.gz XOQRAKKYFZNPQU-CYBMUJFWSA-N 0 0 334.380 0.237 10 0 ECAERN Cc1cc(C)n(C[C@@H]2CN(Cn3nc4ccccn4c3=O)CCO2)n1 ZINC000152877558 609886309 /nfs/dbraw/zinc/88/63/09/609886309.db2.gz JEFQRUKBEBYICN-HNNXBMFYSA-N 0 0 342.403 0.668 10 0 ECAERN CC1=C(C(=O)N2CC[C@H](n3ccnn3)C2)[C@H](C)n2ncnc2N1C ZINC000911830311 609914221 /nfs/dbraw/zinc/91/42/21/609914221.db2.gz KKFWRNQQKPHQSZ-RYUDHWBXSA-N 0 0 328.380 0.628 10 0 ECAERN O=C(CCCOc1ccc2c(c1)NC(=O)CC2)N1CCOC[C@@H]1CO ZINC000912424637 609957858 /nfs/dbraw/zinc/95/78/58/609957858.db2.gz HKXDAGOOBSAKSP-AWEZNQCLSA-N 0 0 348.399 0.950 10 0 ECAERN Cc1nc(COc2ccc(C(=O)N3CCOC[C@@H]3CO)cc2)no1 ZINC000912428268 609958930 /nfs/dbraw/zinc/95/89/30/609958930.db2.gz RNFCUKSQUHNLEM-ZDUSSCGKSA-N 0 0 333.344 0.790 10 0 ECAERN O=C(NC[C@]1(CO)COCCN1)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000913187615 610048858 /nfs/dbraw/zinc/04/88/58/610048858.db2.gz CVDZSQWXNKXXPL-OZVIIMIRSA-N 0 0 326.343 0.535 10 0 ECAERN CC(=O)N1CCCN(C(=O)C2=NN(c3ccccc3)C(=O)CN2)CC1 ZINC000071819709 610439600 /nfs/dbraw/zinc/43/96/00/610439600.db2.gz CHRFFRSHTHNPKL-UHFFFAOYSA-N 0 0 343.387 0.017 10 0 ECAERN COc1ccc(C[C@H](C)OC(=O)Cn2ccc(=O)n(C)c2=O)cc1 ZINC000077562728 611769131 /nfs/dbraw/zinc/76/91/31/611769131.db2.gz KHIZLJLQBCRKNP-LBPRGKRZSA-N 0 0 332.356 0.730 10 0 ECAERN CC(=O)NC1CN(C(=O)C(=O)Nc2ccc(N(C)C)c(Cl)c2)C1 ZINC000191349102 611984209 /nfs/dbraw/zinc/98/42/09/611984209.db2.gz DNAXQMWRTOYWMB-UHFFFAOYSA-N 0 0 338.795 0.691 10 0 ECAERN O=C(C[C@H]1CCCOC1)N1CCN(c2ccc3nncn3n2)CC1 ZINC000193300331 612209374 /nfs/dbraw/zinc/20/93/74/612209374.db2.gz MEEOGDFHNHRWLH-CYBMUJFWSA-N 0 0 330.392 0.590 10 0 ECAERN O=C1CCCN1C[C@H](O)CN1CCOC[C@H]1C[C@@H](O)c1ccco1 ZINC000246012878 612762629 /nfs/dbraw/zinc/76/26/29/612762629.db2.gz LGITXMWBRVQFFV-RBSFLKMASA-N 0 0 338.404 0.387 10 0 ECAERN Cc1nc2c(nc(C)nc2N2CCN(c3cnn(C)c(=O)c3)CC2)o1 ZINC000091381166 612825738 /nfs/dbraw/zinc/82/57/38/612825738.db2.gz NFZQYVVKRLVNKL-UHFFFAOYSA-N 0 0 341.375 0.655 10 0 ECAERN CCOC(=O)COCCNC(=O)[C@@H]1CCN1C(=O)OC(C)(C)C ZINC000722649407 732462162 /nfs/dbraw/zinc/46/21/62/732462162.db2.gz QCGMATJDWACWGQ-NSHDSACASA-N 0 0 330.381 0.692 10 0 ECAERN O=S1(=O)CCNC[C@@H]1CCNc1ncc(Br)cn1 ZINC000721717635 741562415 /nfs/dbraw/zinc/56/24/15/741562415.db2.gz RTERUUIPTRKTAK-VIFPVBQESA-N 0 0 335.227 0.428 10 0 ECAERN COC[C@@H]1CN([C@@H]2CCN(C3CCOCC3)C2=O)CC(C)(C)O1 ZINC000328940146 752566995 /nfs/dbraw/zinc/56/69/95/752566995.db2.gz HLYDFRDVDBDUHW-LSDHHAIUSA-N 0 0 326.437 0.892 10 0 ECAERN CN1CCO[C@H](C(=O)N2CC[C@@](O)(Cc3ccc(F)cc3)C2)C1=O ZINC000911192319 760234297 /nfs/dbraw/zinc/23/42/97/760234297.db2.gz WPMQNUOLZTWEEE-WMLDXEAASA-N 0 0 336.363 0.189 10 0 ECAERN NC(=O)c1cccc(CNC(=O)N2CCC[C@H](n3cncn3)C2)c1 ZINC000173874581 231057385 /nfs/dbraw/zinc/05/73/85/231057385.db2.gz MVIICQKBOZDZFI-AWEZNQCLSA-N 0 0 328.376 0.924 10 0 ECAERN O=c1[nH]c2ccc(S(=O)(=O)N3CCC[C@H](n4cncn4)C3)cc2[nH]1 ZINC000173984713 231089666 /nfs/dbraw/zinc/08/96/66/231089666.db2.gz KGNGNDVQQJSCBR-JTQLQIEISA-N 0 0 348.388 0.474 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)CCCNC(=O)c2cccnc2)CC1 ZINC000153532257 529697699 /nfs/dbraw/zinc/69/76/99/529697699.db2.gz VPAZQKVYGQBSSJ-INIZCTEOSA-N 0 0 348.447 0.507 10 0 ECAERN CCS(=O)(=O)NCCS(=O)(=O)N[C@H](C)c1cccs1 ZINC000176543042 231676230 /nfs/dbraw/zinc/67/62/30/231676230.db2.gz HYUNTAASRBCTHM-SECBINFHSA-N 0 0 326.465 0.668 10 0 ECAERN CN(C)c1ccc(C(=O)NC[C@@H](O)CN2CCOCC2)c(F)c1 ZINC000133120865 529776942 /nfs/dbraw/zinc/77/69/42/529776942.db2.gz BONNHICJKNYKHH-CYBMUJFWSA-N 0 0 325.384 0.315 10 0 ECAERN CN(CC(=O)N1CCC[C@@H]1C[C@H](O)c1ccccc1)S(C)(=O)=O ZINC000174881867 529827202 /nfs/dbraw/zinc/82/72/02/529827202.db2.gz FBWUCSWQMVPQLP-CABCVRRESA-N 0 0 340.445 0.993 10 0 ECAERN CNC(=O)CNC(=O)NC[C@@H](c1cccs1)N1CCO[C@@H](C)C1 ZINC000178455032 529863994 /nfs/dbraw/zinc/86/39/94/529863994.db2.gz PBKJXFSKKNKDDA-RYUDHWBXSA-N 0 0 340.449 0.555 10 0 ECAERN CNC(=O)[C@@H]1CCCN1C(=O)NCC(=O)N1CCCc2ccccc21 ZINC000156586536 529902104 /nfs/dbraw/zinc/90/21/04/529902104.db2.gz MMBRREPDWSNCIC-HNNXBMFYSA-N 0 0 344.415 0.886 10 0 ECAERN CNC(=O)c1cccc(C(=O)N2CCO[C@@H](Cn3cccn3)C2)c1 ZINC000173674738 529944857 /nfs/dbraw/zinc/94/48/57/529944857.db2.gz PPJXWTHKSPCCSL-OAHLLOKOSA-N 0 0 328.372 0.784 10 0 ECAERN CCCC(=O)N[C@H]1CCCN(CC(=O)NCC(=O)N2CCCC2)C1 ZINC000101563959 219137473 /nfs/dbraw/zinc/13/74/73/219137473.db2.gz GGPYMSRNONBBLA-AWEZNQCLSA-N 0 0 338.452 0.106 10 0 ECAERN CCCC(=O)N[C@@H]1CCCN(C(=O)NC[C@@H](C)N2CCOCC2)C1 ZINC000101786245 219164938 /nfs/dbraw/zinc/16/49/38/219164938.db2.gz ZDPQSAIMVGGSQZ-HUUCEWRRSA-N 0 0 340.468 0.797 10 0 ECAERN COC[C@@H](NC(=O)N[C@H]1CCCN(c2cc(C)nn2C)C1=O)C1CC1 ZINC000178739127 232432786 /nfs/dbraw/zinc/43/27/86/232432786.db2.gz PEGPTXOZMMWXTB-UONOGXRCSA-N 0 0 349.435 0.948 10 0 ECAERN O=C1CN(C[C@@]2(O)CCCN(Cc3ccccc3F)C2=O)CCN1 ZINC000067909060 215248880 /nfs/dbraw/zinc/24/88/80/215248880.db2.gz QJJFLHNGEQYKBX-KRWDZBQOSA-N 0 0 335.379 0.111 10 0 ECAERN Nc1c(C(=O)CN2CCO[C@@H]3CCCC[C@@H]32)c(=O)[nH]c(=O)n1C1CC1 ZINC000103470056 219304392 /nfs/dbraw/zinc/30/43/92/219304392.db2.gz NTLKIDXJSBGCAF-WCQYABFASA-N 0 0 348.403 0.280 10 0 ECAERN NC(=O)[C@@H]1COCCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000179687788 233323369 /nfs/dbraw/zinc/32/33/69/233323369.db2.gz ZWNYWEWSYDJXDJ-JTQLQIEISA-N 0 0 338.307 0.580 10 0 ECAERN CCCc1c(C(=O)NCC(C)C)c(N)nc2c1c(=O)n(C)c(=O)n2C ZINC000040570445 213352848 /nfs/dbraw/zinc/35/28/48/213352848.db2.gz PNGDBKQYFPDJKN-UHFFFAOYSA-N 0 0 347.419 0.553 10 0 ECAERN O=C(CNC(=O)N1CCNC(=O)C[C@@H]1c1ccccc1)NCC1CC1 ZINC000183778761 235222565 /nfs/dbraw/zinc/22/25/65/235222565.db2.gz KYLQUBAQCISAAD-OAHLLOKOSA-N 0 0 344.415 0.785 10 0 ECAERN CS(=O)(=O)CCCNc1ccccc1S(=O)(=O)NC1CC1 ZINC000038048369 213197407 /nfs/dbraw/zinc/19/74/07/213197407.db2.gz WXXLTIGQWJLQDV-UHFFFAOYSA-N 0 0 332.447 0.974 10 0 ECAERN Cc1cc(O)cc(=O)n1CC(=O)N1CCCN(c2cccnn2)CC1 ZINC000128680389 222977746 /nfs/dbraw/zinc/97/77/46/222977746.db2.gz KZMPZWRRFQYZSM-UHFFFAOYSA-N 0 0 343.387 0.391 10 0 ECAERN COCCCNC(=O)CN(C)S(=O)(=O)c1ccc(Cl)nc1 ZINC000037979756 213181099 /nfs/dbraw/zinc/18/10/99/213181099.db2.gz FAMMCPRDVGPEAK-UHFFFAOYSA-N 0 0 335.813 0.508 10 0 ECAERN COCC(=O)NC1CN(C(=O)CCCc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000186313238 235873899 /nfs/dbraw/zinc/87/38/99/235873899.db2.gz RBIDLMKFWRAVHA-UHFFFAOYSA-N 0 0 346.387 0.152 10 0 ECAERN CNC(=O)C1CN(C(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2ccccc2)C1 ZINC000186128755 283286988 /nfs/dbraw/zinc/28/69/88/283286988.db2.gz NFEVFHRUHWFSFN-ZBFHGGJFSA-N 0 0 329.400 0.801 10 0 ECAERN NC(=O)CN1CCC(C(=O)N[C@H](c2ccccn2)C(F)(F)F)CC1 ZINC000091914939 283288124 /nfs/dbraw/zinc/28/81/24/283288124.db2.gz YKNILQZASNGQAI-CYBMUJFWSA-N 0 0 344.337 0.999 10 0 ECAERN COc1ccc([C@H]2CC(=O)N(CN3CCOCC3)C2=O)c(OC)c1 ZINC000033854593 212965457 /nfs/dbraw/zinc/96/54/57/212965457.db2.gz DFWUQMJBLDFCGQ-CQSZACIVSA-N 0 0 334.372 0.836 10 0 ECAERN Cc1nc2cc(C(=O)NCCN3CCCS3(=O)=O)ccc2n1C ZINC000071849924 215879745 /nfs/dbraw/zinc/87/97/45/215879745.db2.gz QCMWTHBRTRNFOZ-UHFFFAOYSA-N 0 0 336.417 0.647 10 0 ECAERN Cc1cn2c(ncc(C(=O)N3CC(NC(=O)C4CC4)C3)c2=O)s1 ZINC000189363102 236847724 /nfs/dbraw/zinc/84/77/24/236847724.db2.gz RIOQRZXWZDMFGX-UHFFFAOYSA-N 0 0 332.385 0.415 10 0 ECAERN C[C@H]1OCCN[C@@H]1C(=O)NCC1(N2CCOCC2)CCCCC1 ZINC000261929414 291210485 /nfs/dbraw/zinc/21/04/85/291210485.db2.gz LLZTWSBRPSARTF-CABCVRRESA-N 0 0 325.453 0.515 10 0 ECAERN O=C(COc1ccccc1)N[C@@H]1[C@@H](c2cncnc2)C[C@@H](O)[C@H]1O ZINC000072321795 216150352 /nfs/dbraw/zinc/15/03/52/216150352.db2.gz HMNBGKHHFDCZRZ-MUIFIZLQSA-N 0 0 329.356 0.250 10 0 ECAERN C[C@@H](C(=O)N(C)C)S(=O)(=O)N1CCC(Cn2cccn2)CC1 ZINC000193937812 240368454 /nfs/dbraw/zinc/36/84/54/240368454.db2.gz XPWLRUNTPOILNB-LBPRGKRZSA-N 0 0 328.438 0.402 10 0 ECAERN Cc1cc(O)cc(=O)n1CC(=O)N[C@@H]1CCCN(c2cccnn2)C1 ZINC000130908110 223186652 /nfs/dbraw/zinc/18/66/52/223186652.db2.gz ORPJOLVROACBBB-CYBMUJFWSA-N 0 0 343.387 0.438 10 0 ECAERN CCn1cc([C@H]2CN(C(=O)Cn3c(C)cc(O)cc3=O)CCO2)cn1 ZINC000191709485 239258203 /nfs/dbraw/zinc/25/82/03/239258203.db2.gz GYCPBZHJBINRJH-OAHLLOKOSA-N 0 0 346.387 0.679 10 0 ECAERN Cc1cccc(NC(=O)C(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)n1 ZINC000193718132 240280336 /nfs/dbraw/zinc/28/03/36/240280336.db2.gz YESKHQBWIFUDHS-JSGCOSHPSA-N 0 0 332.404 0.508 10 0 ECAERN COC(=O)c1cc2n(n1)CCN(c1nccc(N3CC[C@@H](O)C3)n1)C2 ZINC000216365428 241186623 /nfs/dbraw/zinc/18/66/23/241186623.db2.gz XVCJVNJAANOVSC-GFCCVEGCSA-N 0 0 344.375 0.051 10 0 ECAERN CC1(C)O[C@H]2[C@@H](CO)O[C@@H](n3cnc4c3ncnc4Cl)[C@H]2O1 ZINC000022054895 212274285 /nfs/dbraw/zinc/27/42/85/212274285.db2.gz VDYNZOUPLVQLRV-NNXMZFEESA-N 0 0 326.740 0.890 10 0 in-vitro ECAERN O=C([C@H]1CC(=O)N(C2CCCC2)C1)N1CC[C@H](N2CCOCC2)C1 ZINC000172748297 296091110 /nfs/dbraw/zinc/09/11/10/296091110.db2.gz BDBPBJHWJJAHRE-HOCLYGCPSA-N 0 0 335.448 0.711 10 0 ECAERN CC1(C)O[C@H]2[C@H](n3cnc4c3ncnc4Cl)O[C@H](CO)[C@@H]2O1 ZINC000021989059 212269057 /nfs/dbraw/zinc/26/90/57/212269057.db2.gz VDYNZOUPLVQLRV-IQEPQDSISA-N 0 0 326.740 0.890 10 0 ECAERN Cc1nc(S(=O)(=O)N2CCC(C(=O)N[C@H]3C[C@H]3C)CC2)cn1C ZINC000075511480 216628996 /nfs/dbraw/zinc/62/89/96/216628996.db2.gz DXJKXKBNBPLYJI-MFKMUULPSA-N 0 0 340.449 0.654 10 0 ECAERN Cc1nc(CN2CCCN(C(=O)CCCNC(=O)C3CC3)CC2)no1 ZINC000109922800 220003228 /nfs/dbraw/zinc/00/32/28/220003228.db2.gz JWWJLYZDJVLQPM-UHFFFAOYSA-N 0 0 349.435 0.719 10 0 ECAERN O=C(C[C@H]1C(=O)NCCN1Cc1cccs1)NCc1ccon1 ZINC000020515615 212142177 /nfs/dbraw/zinc/14/21/77/212142177.db2.gz MKQYBTWHTRDLHH-ZDUSSCGKSA-N 0 0 334.401 0.743 10 0 ECAERN NC(=O)c1c2c(sc1NC(=O)C(=S)N1CCOCC1)CCC2 ZINC000020160788 212108083 /nfs/dbraw/zinc/10/80/83/212108083.db2.gz UPSGGGBXHJNSNF-UHFFFAOYSA-N 0 0 339.442 0.934 10 0 ECAERN COC(=O)CCN(Cc1ccc(F)c(F)c1)C(=O)[C@@H]1CNC(=O)C1 ZINC000110347320 220031002 /nfs/dbraw/zinc/03/10/02/220031002.db2.gz XJTDSIRFHRARDR-NSHDSACASA-N 0 0 340.326 0.993 10 0 ECAERN O=C(CNC(=O)OCC(F)(F)F)N1CCC[C@@H](n2cncn2)C1 ZINC000110728225 220061509 /nfs/dbraw/zinc/06/15/09/220061509.db2.gz HGGXHYBJFSIUOQ-SECBINFHSA-N 0 0 335.286 0.730 10 0 ECAERN CCCNC(=O)CCC(=O)N1CCCN(Cc2noc(C)n2)CC1 ZINC000110946069 220083017 /nfs/dbraw/zinc/08/30/17/220083017.db2.gz BSFASNUSGJNNJS-UHFFFAOYSA-N 0 0 337.424 0.719 10 0 ECAERN CS(=O)(=O)c1ccccc1C(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000111087419 220098912 /nfs/dbraw/zinc/09/89/12/220098912.db2.gz VBJPLBLRLAOCKZ-ZDUSSCGKSA-N 0 0 349.412 0.828 10 0 ECAERN C[C@H](NC(=O)c1ccco1)C(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000111078675 220096996 /nfs/dbraw/zinc/09/69/96/220096996.db2.gz MTSCQRGHPCFLRP-STQMWFEESA-N 0 0 332.360 0.522 10 0 ECAERN CCNC(=O)NC1(C(=O)N2CCO[C@H](Cn3cccn3)C2)CCCC1 ZINC000111077353 220097035 /nfs/dbraw/zinc/09/70/35/220097035.db2.gz IFXMHEJLFBMEAQ-AWEZNQCLSA-N 0 0 349.435 0.742 10 0 ECAERN CCc1noc([C@H](C)N2CCN(C(=O)C3=NN(C)C(=O)CC3)CC2)n1 ZINC000112037230 220233189 /nfs/dbraw/zinc/23/31/89/220233189.db2.gz DFZXFAVTNMLJKX-NSHDSACASA-N 0 0 348.407 0.445 10 0 ECAERN Cc1cnn(C[C@H]2CN(C(=O)CNC(=O)c3cccs3)CCO2)c1 ZINC000112117891 220245636 /nfs/dbraw/zinc/24/56/36/220245636.db2.gz UPUGNFGVWFTIPC-CYBMUJFWSA-N 0 0 348.428 0.910 10 0 ECAERN COCCOC(=O)[C@H](C)n1cnc2sc(C(N)=O)c(C)c2c1=O ZINC000012127284 211300582 /nfs/dbraw/zinc/30/05/82/211300582.db2.gz YEAKRTZMUNLKHB-QMMMGPOBSA-N 0 0 339.373 0.616 10 0 ECAERN COCCCNC(=O)C[C@@H]1C(=O)NCCN1Cc1ccccc1OC ZINC000011953972 211274308 /nfs/dbraw/zinc/27/43/08/211274308.db2.gz XSMZWXNGSBJSES-OAHLLOKOSA-N 0 0 349.431 0.538 10 0 ECAERN CC(C)N(Cc1nccn1C)C(=O)C[C@H]1C(=O)NCCN1C(C)C ZINC000011818990 211252027 /nfs/dbraw/zinc/25/20/27/211252027.db2.gz DJSCCLIISWPCGX-AWEZNQCLSA-N 0 0 335.452 0.756 10 0 ECAERN NC(=O)[C@H]1COCCN1CC(=O)Nc1ccc(Br)cc1 ZINC000092229403 218127472 /nfs/dbraw/zinc/12/74/72/218127472.db2.gz QDRYUCNGMFWDAG-LLVKDONJSA-N 0 0 342.193 0.574 10 0 ECAERN CC(C)(C)c1ccc(OC[C@H](O)CN2CCOC[C@@H]2C(N)=O)cc1 ZINC000092229544 218127707 /nfs/dbraw/zinc/12/77/07/218127707.db2.gz PHOUECNYOVPIQB-GDBMZVCRSA-N 0 0 336.432 0.910 10 0 ECAERN Cc1ccc(N2CC[C@H]3O[C@H](C(=O)N4CCN(C)CC4)CC[C@H]32)nn1 ZINC000096065320 218561571 /nfs/dbraw/zinc/56/15/71/218561571.db2.gz BMYMLDYWIQYAJV-OAGGEKHMSA-N 0 0 345.447 0.685 10 0 ECAERN CCOC(=O)[C@@H]1CCCN(C(=O)C(=O)N2C[C@H](C)O[C@@H](C)C2)C1 ZINC000170331867 207648742 /nfs/dbraw/zinc/64/87/42/207648742.db2.gz CFRHDCPMYJBEOH-RWMBFGLXSA-N 0 0 326.393 0.424 10 0 ECAERN Cc1ccc(CCC(=O)NCC(=O)N[C@H]2CCc3ncnn3C2)cc1 ZINC000112650607 220364176 /nfs/dbraw/zinc/36/41/76/220364176.db2.gz QDOGOTMCARWCQD-HNNXBMFYSA-N 0 0 341.415 0.767 10 0 ECAERN O=c1[nH]c(=O)n(-c2ccc3nnc(C(F)(F)F)n3n2)cc1Cl ZINC000080759813 285195334 /nfs/dbraw/zinc/19/53/34/285195334.db2.gz PFTDIXVTZHDGBU-UHFFFAOYSA-N 0 0 332.629 0.636 10 0 ECAERN C[C@H](NC(=O)C(=O)NCC(=O)N(C)C)c1cccc(-n2ccnc2)c1 ZINC000154145074 224210200 /nfs/dbraw/zinc/21/02/00/224210200.db2.gz RYWRHBURTKZOSF-LBPRGKRZSA-N 0 0 343.387 0.254 10 0 ECAERN Cn1nccc1C1CCN(C(=O)NC[C@H]2CC[C@H](C(N)=O)O2)CC1 ZINC000154332717 224239427 /nfs/dbraw/zinc/23/94/27/224239427.db2.gz MGZWAFPXPKOOGT-TZMCWYRMSA-N 0 0 335.408 0.342 10 0 ECAERN Cc1nc(C)n(C[C@@H]2CCCN(S(=O)(=O)c3cnn(C)c3)C2)n1 ZINC000116899803 221008370 /nfs/dbraw/zinc/00/83/70/221008370.db2.gz DTSCBBXAYQGTJO-CYBMUJFWSA-N 0 0 338.437 0.729 10 0 ECAERN CCCC[C@@H](NC(N)=O)C(=O)N1CCN(CCOC)[C@H](CC)C1 ZINC000117300371 221048966 /nfs/dbraw/zinc/04/89/66/221048966.db2.gz JTRIOZZJMDRZGW-ZIAGYGMSSA-N 0 0 328.457 0.783 10 0 ECAERN COCCN1CCN(C(=O)NCCNC(=O)c2ccccc2)C[C@@H]1C ZINC000117474873 221068810 /nfs/dbraw/zinc/06/88/10/221068810.db2.gz ICERJNHGCZURBG-HNNXBMFYSA-N 0 0 348.447 0.779 10 0 ECAERN Cc1cnn(CCNC(=O)Cc2c(C)nc3nc(N)nn3c2C)c1 ZINC000117987260 221104261 /nfs/dbraw/zinc/10/42/61/221104261.db2.gz PTRPSLQOMLNHHY-UHFFFAOYSA-N 0 0 328.380 0.187 10 0 ECAERN Cc1cnn(CCNC(=O)CCn2[nH]c(=O)c3ccccc3c2=O)c1 ZINC000117811018 221091518 /nfs/dbraw/zinc/09/15/18/221091518.db2.gz UGPFDCJVTSXWRE-UHFFFAOYSA-N 0 0 341.371 0.401 10 0 ECAERN C[C@H](NC(=O)c1ccoc1)C(=O)N[C@H]1CCCN(c2cccnn2)C1 ZINC000118668601 221167315 /nfs/dbraw/zinc/16/73/15/221167315.db2.gz QAXIBSQAHSRFEK-JSGCOSHPSA-N 0 0 343.387 0.973 10 0 ECAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)CCNC(=O)CC(C)C ZINC000155013621 224342374 /nfs/dbraw/zinc/34/23/74/224342374.db2.gz AOPBNURLXNXTET-LBPRGKRZSA-N 0 0 337.424 0.928 10 0 ECAERN Cn1ccnc1C(=O)N[C@@H]1CN(c2ncc(F)cn2)[C@H]2CCCO[C@@H]12 ZINC000248151587 257662716 /nfs/dbraw/zinc/66/27/16/257662716.db2.gz UKJGYNIZSWKHCH-AGIUHOORSA-N 0 0 346.366 0.515 10 0 ECAERN CC[C@@H]1N(S(=O)(=O)c2cn(C)cn2)CCC[C@@]12CCC(=O)N2 ZINC000248044047 257667412 /nfs/dbraw/zinc/66/74/12/257667412.db2.gz PAORHXGDNXDCEE-SMDDNHRTSA-N 0 0 326.422 0.632 10 0 ECAERN O=C(NC[C@H]1Cn2nnc(-c3cccnc3)c2CO1)[C@@H]1CCCO1 ZINC000247508732 257682268 /nfs/dbraw/zinc/68/22/68/257682268.db2.gz SIBBTPWKJUBDHK-JSGCOSHPSA-N 0 0 329.360 0.534 10 0 ECAERN O=C(NC[C@@H]1OC[C@H]2CCN(c3ncccn3)C[C@@H]12)c1cnccn1 ZINC000247366128 257683482 /nfs/dbraw/zinc/68/34/82/257683482.db2.gz FZCIUSJLUYYZMV-NFAWXSAZSA-N 0 0 340.387 0.538 10 0 ECAERN C[C@H](NC(=O)c1[nH]c(=O)[nH]c(=O)c1N)c1ccc(F)cc1Cl ZINC000073820040 296615390 /nfs/dbraw/zinc/61/53/90/296615390.db2.gz KPXGIZBRYMNOAE-YFKPBYRVSA-N 0 0 326.715 0.929 10 0 ECAERN CC(=O)N[C@@H]1CCCN(C(=O)c2ccc(N3CCNC3=O)cc2)C1 ZINC000079299327 296624111 /nfs/dbraw/zinc/62/41/11/296624111.db2.gz MFBJQQOGXGRSFM-CQSZACIVSA-N 0 0 330.388 0.957 10 0 ECAERN O=C(NC[C@@H](O)CN1CCOCC1)c1cccc(-n2cccn2)c1 ZINC000128119274 296659030 /nfs/dbraw/zinc/65/90/30/296659030.db2.gz MTGJTRBNRNROTA-MRXNPFEDSA-N 0 0 330.388 0.295 10 0 ECAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NCCc1nc(C)no1 ZINC000131715408 296668804 /nfs/dbraw/zinc/66/88/04/296668804.db2.gz HOIYDTBZAWVDJE-NSHDSACASA-N 0 0 330.410 0.241 10 0 ECAERN COC(=O)C[C@@H](C)C(=O)N1CCN(Cc2c(C)nn(C)c2C)CC1 ZINC000133805107 296673748 /nfs/dbraw/zinc/67/37/48/296673748.db2.gz BAKNLODSASONDV-GFCCVEGCSA-N 0 0 336.436 0.880 10 0 ECAERN O=C([C@@H]1CC(=O)C[C@H]1C(=O)N1CCSCC1)N1CCSCC1 ZINC000333309448 297123352 /nfs/dbraw/zinc/12/33/52/297123352.db2.gz IYSSBPYVFLLQNU-CHWSQXEVSA-N 0 0 342.486 0.733 10 0 ECAERN CC(=O)N[C@@H]1CCCN(C(=O)CCn2c3ccccc3n(C)c2=O)C1 ZINC000193575009 296724956 /nfs/dbraw/zinc/72/49/56/296724956.db2.gz DQPUZDAGGMPLKH-CQSZACIVSA-N 0 0 344.415 0.857 10 0 ECAERN CC(=O)N[C@H]1CCCN(C(=O)C(=O)NCCCc2ccccc2)C1 ZINC000104854025 164654933 /nfs/dbraw/zinc/65/49/33/164654933.db2.gz QVRVQMHEPMIZIA-INIZCTEOSA-N 0 0 331.416 0.863 10 0 ECAERN CCN(CC)S(=O)(=O)CC(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000172640468 164845152 /nfs/dbraw/zinc/84/51/52/164845152.db2.gz CZTZTNLGLOPSEN-GFCCVEGCSA-N 0 0 329.426 0.113 10 0 ECAERN Cc1nc(C[C@@H]2CCCN(C(=O)C(C)(C)NS(C)(=O)=O)C2)no1 ZINC000173517293 164856479 /nfs/dbraw/zinc/85/64/79/164856479.db2.gz YVHNXZUBMDGQDL-NSHDSACASA-N 0 0 344.437 0.487 10 0 ECAERN NC(=O)[C@H]1COCCN1C[C@H](O)Cc1ccccc1C(F)(F)F ZINC000179726934 164932808 /nfs/dbraw/zinc/93/28/08/164932808.db2.gz QYQNBLXYQXRKTO-DGCLKSJQSA-N 0 0 332.322 0.795 10 0 ECAERN O=C(NC[C@H]1COC2(CCCCC2)O1)N[C@@H]1CCc2ncnn2C1 ZINC000180619678 164937798 /nfs/dbraw/zinc/93/77/98/164937798.db2.gz WGVMLCTWKSKYAG-OLZOCXBDSA-N 0 0 335.408 0.968 10 0 ECAERN O=C(Cc1ccccc1)NCC(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188488746 164997495 /nfs/dbraw/zinc/99/74/95/164997495.db2.gz XOBXNVCWNGWJBW-UHFFFAOYSA-N 0 0 329.400 0.472 10 0 ECAERN CC[N@@H+]1CCC[C@H](NC(=O)N2CCCN(CCOC)C(=O)C2)C1 ZINC000188892905 165003115 /nfs/dbraw/zinc/00/31/15/165003115.db2.gz GYEBCXOTLQLGEC-AWEZNQCLSA-N 0 0 326.441 0.361 10 0 ECAERN Cc1cc(=O)c(C(=O)N2CCCNC(=O)[C@H]2C)nn1-c1ccccc1 ZINC000189239406 165006662 /nfs/dbraw/zinc/00/66/62/165006662.db2.gz HZUKBSHDAWTPJN-CYBMUJFWSA-N 0 0 340.383 0.892 10 0 ECAERN C[C@@H]1C(=O)NCCCN1CC(=O)NCCCN(C)c1ccccc1 ZINC000189302312 165007908 /nfs/dbraw/zinc/00/79/08/165007908.db2.gz VZQXHGUHFWHVLM-OAHLLOKOSA-N 0 0 332.448 0.840 10 0 ECAERN CCn1cc([C@@H]2CN(CC(=O)NC(=O)NCC(C)C)CCO2)cn1 ZINC000190726452 165024039 /nfs/dbraw/zinc/02/40/39/165024039.db2.gz QOOZRJQJYLZHHJ-AWEZNQCLSA-N 0 0 337.424 0.758 10 0 ECAERN C[C@H]1C(=O)NCCCN1C(=O)C(=O)Nc1ccccc1N1CCCC1 ZINC000190683819 165024060 /nfs/dbraw/zinc/02/40/60/165024060.db2.gz RMILGMXLMXMKFG-ZDUSSCGKSA-N 0 0 344.415 0.962 10 0 ECAERN Cc1c(NC(=O)C(=O)N2CCCNC(=O)[C@H]2C)cccc1N(C)C ZINC000190682390 165024346 /nfs/dbraw/zinc/02/43/46/165024346.db2.gz LDACKUNXYUETCD-GFCCVEGCSA-N 0 0 332.404 0.737 10 0 ECAERN C[C@@H]1C(=O)NCCCN1C(=O)C(=O)Nc1cc(F)c(F)c(F)c1 ZINC000190665563 165024416 /nfs/dbraw/zinc/02/44/16/165024416.db2.gz PUUOFXQARXMONE-SSDOTTSWSA-N 0 0 329.278 0.779 10 0 ECAERN CCn1cc([C@@H]2CN(CCCN3C(=O)NC(C)(C)C3=O)CCO2)cn1 ZINC000190747652 165025621 /nfs/dbraw/zinc/02/56/21/165025621.db2.gz FUUMOMBFGWPWBY-AWEZNQCLSA-N 0 0 349.435 0.997 10 0 ECAERN C[C@@H](C1CC1)n1nccc1NC(=O)C(=O)N1CCCNC(=O)[C@H]1C ZINC000192101424 165040526 /nfs/dbraw/zinc/04/05/26/165040526.db2.gz COFIOANDKPMWMK-WDEREUQCSA-N 0 0 333.392 0.530 10 0 ECAERN CC(C)n1nnnc1CS(=O)(=O)CC(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000195427597 165081795 /nfs/dbraw/zinc/08/17/95/165081795.db2.gz MICMZQRZJWOFGG-VXGBXAGGSA-N 0 0 343.453 0.673 10 0 ECAERN C[C@@H]1CN(C(=O)NC[C@H]2CN(C)CCO2)CCN1CC(F)(F)F ZINC000245692822 165113860 /nfs/dbraw/zinc/11/38/60/165113860.db2.gz MABIFQHIMDNFAG-NEPJUHHUSA-N 0 0 338.374 0.595 10 0 ECAERN CCC(=O)N1CC[C@H](NC(=O)N2CCN(CCOC)[C@@H](C)C2)C1 ZINC000246299658 165128304 /nfs/dbraw/zinc/12/83/04/165128304.db2.gz XQZFADAYIBEXQT-KBPBESRZSA-N 0 0 326.441 0.359 10 0 ECAERN C[C@@H]1CN(S(=O)(=O)N2CCCCCC2)C[C@H]1N1CCOCC1 ZINC000246615634 165139546 /nfs/dbraw/zinc/13/95/46/165139546.db2.gz XIOYIUTVGWUWQQ-HUUCEWRRSA-N 0 0 331.482 0.760 10 0 ECAERN COCCN1CCN(CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)C[C@@H]1C ZINC000247212981 165155307 /nfs/dbraw/zinc/15/53/07/165155307.db2.gz PYTCYDSQJMFDLY-YESZJQIVSA-N 0 0 339.480 0.809 10 0 ECAERN C[C@@H](c1nc(N)nc(N(C)C)n1)N1CCC[C@@H](Cn2cncn2)C1 ZINC000247805110 165167701 /nfs/dbraw/zinc/16/77/01/165167701.db2.gz SIUYMCPQJVVXIS-NWDGAFQWSA-N 0 0 331.428 0.585 10 0 ECAERN C[C@@H]1CN(Cc2cn(Cc3cccnc3)nn2)C[C@H]1N1CCOCC1 ZINC000248504276 165177734 /nfs/dbraw/zinc/17/77/34/165177734.db2.gz VLBCPYUSPHRPSD-CRAIPNDOSA-N 0 0 342.447 0.874 10 0 ECAERN CCN(CC1CC1)S(=O)(=O)N1CCC[C@@H](Cn2cncn2)C1 ZINC000248617269 165180940 /nfs/dbraw/zinc/18/09/40/165180940.db2.gz AUOFJJSPVWRUFN-AWEZNQCLSA-N 0 0 327.454 0.967 10 0 ECAERN CCO[C@@H]1C[C@](CO)(NC(=O)N[C@H]2CCc3ncnn3C2)C1(C)C ZINC000249116390 165193595 /nfs/dbraw/zinc/19/35/95/165193595.db2.gz OHDQILPQPBBFSE-HWWQOWPSSA-N 0 0 337.424 0.458 10 0 ECAERN CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc(=O)n(C)c1 ZINC000249211247 165196047 /nfs/dbraw/zinc/19/60/47/165196047.db2.gz SNUZOXVIYSXSIY-KBPBESRZSA-N 0 0 332.404 0.409 10 0 ECAERN CO[C@H](C)CS(=O)(=O)N(C)[C@H]1CCCN(c2cccnn2)C1 ZINC000249581252 165200401 /nfs/dbraw/zinc/20/04/01/165200401.db2.gz NKKPLUCNOAEQIR-OLZOCXBDSA-N 0 0 328.438 0.742 10 0 ECAERN [NH3+]C1(C(=O)NCC(=O)Nc2cccc3cccnc32)CCOCC1 ZINC000261936212 165265568 /nfs/dbraw/zinc/26/55/68/165265568.db2.gz WTRDAFCFQKHSOB-UHFFFAOYSA-N 0 0 328.372 0.797 10 0 ECAERN Cc1cc(F)ccc1-n1cc([O-])c(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)n1 ZINC000262277472 165320314 /nfs/dbraw/zinc/32/03/14/165320314.db2.gz NMMLHTDXHIUQQP-GWCFXTLKSA-N 0 0 334.351 0.336 10 0 ECAERN Cn1cc([C@@H]2CN(C(=O)Cn3nnc4ccccc43)C[C@H]2CO)cn1 ZINC000299751995 296881505 /nfs/dbraw/zinc/88/15/05/296881505.db2.gz SHLBPFDLAHOWDQ-KBPBESRZSA-N 0 0 340.387 0.399 10 0 ECAERN Cn1cc([C@H]2CCCN2C(=O)C(=O)Nc2cccc(C(N)=O)c2)cn1 ZINC000171399579 227061221 /nfs/dbraw/zinc/06/12/21/227061221.db2.gz ZZVNGMZVMLLLTK-CQSZACIVSA-N 0 0 341.371 0.821 10 0 ECAERN O=C(CCc1nc(-c2ccoc2)no1)N[C@H]1CCc2ncnn2C1 ZINC000122290382 222053513 /nfs/dbraw/zinc/05/35/13/222053513.db2.gz GZPPTYPTKUTPGW-NSHDSACASA-N 0 0 328.332 0.985 10 0 ECAERN O=C(Cn1nc2ccccn2c1=O)N1CC[C@@H](Oc2cccnc2)C1 ZINC000123315080 222256257 /nfs/dbraw/zinc/25/62/57/222256257.db2.gz JDVCYKBIJAWZOV-CQSZACIVSA-N 0 0 339.355 0.571 10 0 ECAERN CCS(=O)(=O)NCCNC(=O)N1CCC[C@H](n2cc(C)cn2)C1 ZINC000171901253 227350467 /nfs/dbraw/zinc/35/04/67/227350467.db2.gz IERROHRQOMNSFK-ZDUSSCGKSA-N 0 0 343.453 0.477 10 0 ECAERN CCC1CCC(NS(=O)(=O)CCNS(=O)(=O)CC)CC1 ZINC000088770902 263144137 /nfs/dbraw/zinc/14/41/37/263144137.db2.gz WYFRFFGCZRTQEC-UHFFFAOYSA-N 0 0 326.484 0.814 10 0 ECAERN CCc1nnc([C@@H]2CN(C(=O)[C@@H](C)NC(=O)c3ccoc3)CCO2)[nH]1 ZINC000173581300 263148939 /nfs/dbraw/zinc/14/89/39/263148939.db2.gz RNCJFDHKVNVPBA-PWSUYJOCSA-N 0 0 347.375 0.679 10 0 ECAERN CC[C@H](CCO)NC(=O)NC[C@@H]1CCCN1c1cc(NC)ncn1 ZINC000175238637 263151699 /nfs/dbraw/zinc/15/16/99/263151699.db2.gz FRBUCDYYMBDPDN-OLZOCXBDSA-N 0 0 336.440 0.947 10 0 ECAERN Cc1c(NC(=O)C(=O)N2CCC(Cn3cccn3)CC2)cnn1C ZINC000176637867 263153377 /nfs/dbraw/zinc/15/33/77/263153377.db2.gz MKEMGFZUUSVMQS-UHFFFAOYSA-N 0 0 330.392 0.802 10 0 ECAERN CC(C)CC(=O)N[C@H](C(=O)N1CCN(CCO)[C@@H](C)C1)C(C)C ZINC000250052773 263176642 /nfs/dbraw/zinc/17/66/42/263176642.db2.gz MDGONXKLUSTGCM-HOCLYGCPSA-N 0 0 327.469 0.698 10 0 ECAERN NC(=O)[C@@]1(O)CCCN(C(=O)c2cccc(Br)n2)C1 ZINC000285457189 264314682 /nfs/dbraw/zinc/31/46/82/264314682.db2.gz JTHDZHIQUAMGKG-GFCCVEGCSA-N 0 0 328.166 0.297 10 0 ECAERN CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NC[C@@H](C)N1CCOCC1 ZINC000076149245 277020079 /nfs/dbraw/zinc/02/00/79/277020079.db2.gz VFAWHVIJBQNXBA-RDTXWAMCSA-N 0 0 345.443 0.797 10 0 ECAERN CN1CCN(C(=O)c2ccc3c(c2)NC(=O)[C@@H]2CCC(=O)N32)CC1 ZINC000065202029 277098390 /nfs/dbraw/zinc/09/83/90/277098390.db2.gz DMBONWAZFOSFKA-AWEZNQCLSA-N 0 0 328.372 0.522 10 0 ECAERN CC(=O)NC1CN(C(=O)CNC(=O)c2ccccc2C(F)(F)F)C1 ZINC000191488478 278090356 /nfs/dbraw/zinc/09/03/56/278090356.db2.gz BPIUPBZAMXREHX-UHFFFAOYSA-N 0 0 343.305 0.782 10 0 ECAERN CC(=O)NCCNC(=O)CCC(=O)N1CCCC[C@H]1c1cn[nH]c1 ZINC000118343713 278113700 /nfs/dbraw/zinc/11/37/00/278113700.db2.gz YEZKFTDBMJHSCO-AWEZNQCLSA-N 0 0 335.408 0.496 10 0 ECAERN CC(C)(C)N(Cc1ccccc1)C(=O)CN1CCOC[C@@H]1C(N)=O ZINC000092230485 278339669 /nfs/dbraw/zinc/33/96/69/278339669.db2.gz HFMCDXVEFUJAQB-OAHLLOKOSA-N 0 0 333.432 1.000 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)C(=O)Nc2ccc(Cl)nc2)CC1 ZINC000189477418 437602011 /nfs/dbraw/zinc/60/20/11/437602011.db2.gz PZXUCDFJASNFBU-LBPRGKRZSA-N 0 0 340.811 0.589 10 0 ECAERN COCCn1ccc(C(=O)N2CCO[C@H](Cn3nc(C)cc3C)C2)n1 ZINC000189779459 437610761 /nfs/dbraw/zinc/61/07/61/437610761.db2.gz KZTJXUFBAKXIOG-HNNXBMFYSA-N 0 0 347.419 0.884 10 0 ECAERN CNC(=O)C1CN(C(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2ccccc2)C1 ZINC000186128723 290359419 /nfs/dbraw/zinc/35/94/19/290359419.db2.gz NFEVFHRUHWFSFN-GDBMZVCRSA-N 0 0 329.400 0.801 10 0 ECAERN CC(C)[C@@H]1N(C(=O)N[C@@H]2CCc3nnnn3CC2)C[C@]12CCCO2 ZINC000333237181 297120423 /nfs/dbraw/zinc/12/04/23/297120423.db2.gz AHRAZVAYBMNASC-IVMMDQJWSA-N 0 0 334.424 0.977 10 0 ECAERN O=C(CN1C(=O)NC2(CCCC2)C1=O)N1CCC[C@@H](c2nnc[nH]2)C1 ZINC000333336356 297126173 /nfs/dbraw/zinc/12/61/73/297126173.db2.gz NVUKMTCFXFPQMW-LLVKDONJSA-N 0 0 346.391 0.375 10 0 ECAERN O=C([C@H]1CC(=O)Nc2ccccc21)N1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000333340643 297126638 /nfs/dbraw/zinc/12/66/38/297126638.db2.gz SRQUIYLQAGYUDR-GTNSWQLSSA-N 0 0 342.355 0.313 10 0 ECAERN O=C([C@@H]1CC(=O)Nc2ccccc21)N1CCC[C@]2(C1)NC(=O)NC2=O ZINC000333340644 297126692 /nfs/dbraw/zinc/12/66/92/297126692.db2.gz SRQUIYLQAGYUDR-PIGZYNQJSA-N 0 0 342.355 0.313 10 0 ECAERN CN(C(=O)[C@H]1CSCN1C(=O)CC(C)(C)C)c1nnnn1C ZINC000333879099 297153418 /nfs/dbraw/zinc/15/34/18/297153418.db2.gz REEOWEPBDCHJMV-SECBINFHSA-N 0 0 326.426 0.511 10 0 ECAERN CCCCN1CCOC[C@@H]1C(=O)N1CCO[C@@]2(CCO[C@H]2C)C1 ZINC000364788363 300389360 /nfs/dbraw/zinc/38/93/60/300389360.db2.gz MZTLYHAMTZBAJS-UXLLHSPISA-N 0 0 326.437 0.894 10 0 ECAERN C[C@@H]1CN(S(=O)(=O)N2CCO[C@@H](c3cnn(C)c3)C2)C[C@@H](C)O1 ZINC000365884000 300492914 /nfs/dbraw/zinc/49/29/14/300492914.db2.gz NRTQOJDWHMXUIT-YRGRVCCFSA-N 0 0 344.437 0.147 10 0 ECAERN Cn1c(CCNC(=O)C[C@H]2C(=O)NCCN2C)nc2ccccc21 ZINC000071714843 436011391 /nfs/dbraw/zinc/01/13/91/436011391.db2.gz OAGWVQKTOOJYKW-AWEZNQCLSA-N 0 0 329.404 0.052 10 0 ECAERN C[C@H](NC(=O)N1CCO[C@H](C(N)=O)C1)c1cccc(-n2ccnc2)c1 ZINC000074875987 436142799 /nfs/dbraw/zinc/14/27/99/436142799.db2.gz ZPHMTWVTSYCAGD-WFASDCNBSA-N 0 0 343.387 0.829 10 0 ECAERN CN1CCO[C@@H]2CN(C(=O)c3ccc4c(c3)NC(=O)CS4)C[C@@H]21 ZINC000377359672 301343620 /nfs/dbraw/zinc/34/36/20/301343620.db2.gz MJYULJVPXGUCMJ-QWHCGFSZSA-N 0 0 333.413 0.886 10 0 ECAERN C[C@H](NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1)[C@H]1CCCO1 ZINC000035216573 436254816 /nfs/dbraw/zinc/25/48/16/436254816.db2.gz YZBKAIRNYXPIBY-JOYOIKCWSA-N 0 0 334.419 0.180 10 0 ECAERN CCCNC(=O)CN1CCC(NC(=O)N[C@H](C)[C@@H]2CCCO2)CC1 ZINC000041171931 436271096 /nfs/dbraw/zinc/27/10/96/436271096.db2.gz YBLXUFPFBQCZMV-HIFRSBDPSA-N 0 0 340.468 0.844 10 0 ECAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)NCC(C)(C)N1CCOCC1 ZINC000083693466 436375931 /nfs/dbraw/zinc/37/59/31/436375931.db2.gz KAFZPTSMGPJBOF-CYBMUJFWSA-N 0 0 336.440 0.831 10 0 ECAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)NCC(C)(C)N1CCOCC1 ZINC000083693462 436376175 /nfs/dbraw/zinc/37/61/75/436376175.db2.gz KAFZPTSMGPJBOF-ZDUSSCGKSA-N 0 0 336.440 0.831 10 0 ECAERN O=C1NC(=O)[C@@]2(CCN(S(=O)(=O)c3ccc(Cl)cc3)C2)N1 ZINC000084796474 436386175 /nfs/dbraw/zinc/38/61/75/436386175.db2.gz RTOGDFBWCXMEAE-LBPRGKRZSA-N 0 0 329.765 0.313 10 0 ECAERN CNC(=O)c1ccc(CN(C)C(=O)NC[C@@H](C)N2CCOCC2)cc1 ZINC000046260974 436390805 /nfs/dbraw/zinc/39/08/05/436390805.db2.gz PLDXZGAARGWOIK-CQSZACIVSA-N 0 0 348.447 0.908 10 0 ECAERN Cn1cnc(S(=O)(=O)NCC(=O)N[C@@H]2CCCc3ccccc32)c1 ZINC000088564858 436403181 /nfs/dbraw/zinc/40/31/81/436403181.db2.gz STMFQYKXMLXQAQ-CQSZACIVSA-N 0 0 348.428 0.892 10 0 ECAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)N(C)CCN1CCOCC1 ZINC000088755027 436404401 /nfs/dbraw/zinc/40/44/01/436404401.db2.gz OXOIHVKPPGMMRM-ZDUSSCGKSA-N 0 0 336.440 0.649 10 0 ECAERN O=C(CCNS(=O)(=O)c1cccs1)NC[C@H]1CCC[C@H]1O ZINC000089159270 436407042 /nfs/dbraw/zinc/40/70/42/436407042.db2.gz HFBLGEFLVQINPG-GHMZBOCLSA-N 0 0 332.447 0.694 10 0 ECAERN Cn1cc(S(=O)(=O)NCC(=O)N[C@@H]2CCCc3ccccc32)cn1 ZINC000047047462 436409482 /nfs/dbraw/zinc/40/94/82/436409482.db2.gz KCCRSBLDUCBEJO-OAHLLOKOSA-N 0 0 348.428 0.892 10 0 ECAERN CCc1nnc(CS(=O)(=O)CC(=O)N(CC(C)C)C2CC2)n1C ZINC000091049430 436438660 /nfs/dbraw/zinc/43/86/60/436438660.db2.gz FFCWNIUSGYEZFA-UHFFFAOYSA-N 0 0 342.465 0.939 10 0 ECAERN CCC[C@@H](C)NC(=O)[C@H](C)S(=O)(=O)Cc1nnc(CC)n1C ZINC000091049507 436438759 /nfs/dbraw/zinc/43/87/59/436438759.db2.gz LVODXZVZEAMUHH-MNOVXSKESA-N 0 0 330.454 0.986 10 0 ECAERN CCCCCNC(=O)[C@@H](C)S(=O)(=O)Cc1nnc(CC)n1C ZINC000091049695 436439907 /nfs/dbraw/zinc/43/99/07/436439907.db2.gz FDEFARUEKGKKPR-LLVKDONJSA-N 0 0 330.454 0.987 10 0 ECAERN CC(C)c1ccc(CCNC(=O)CN2CCOC[C@H]2C(N)=O)cc1 ZINC000092229862 436468883 /nfs/dbraw/zinc/46/88/83/436468883.db2.gz USMBVKMGBDHJMX-INIZCTEOSA-N 0 0 333.432 0.655 10 0 ECAERN NC(=O)[C@H]1COCCN1C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000092421721 436470365 /nfs/dbraw/zinc/47/03/65/436470365.db2.gz IXOLBNOPWNOQCQ-BXKDBHETSA-N 0 0 349.214 0.919 10 0 ECAERN C[C@H](C(=O)NC(=O)NC1CC1)N1CCC(Nc2cccnn2)CC1 ZINC000105805185 436577880 /nfs/dbraw/zinc/57/78/80/436577880.db2.gz ULXROULGPGJUIF-LLVKDONJSA-N 0 0 332.408 0.730 10 0 ECAERN CN(C)C(=O)c1ccc(CNC(=O)NC[C@@H]2CN(C)CCO2)cc1 ZINC000104786708 436564181 /nfs/dbraw/zinc/56/41/81/436564181.db2.gz LWNSTMCJGOWUGL-OAHLLOKOSA-N 0 0 334.420 0.518 10 0 ECAERN CCn1cnnc1C1CCN(C(=O)[C@@H]2CC(=O)N(CCOC)C2)CC1 ZINC000105861818 436582134 /nfs/dbraw/zinc/58/21/34/436582134.db2.gz AQEDUUDCVCKAKA-CQSZACIVSA-N 0 0 349.435 0.499 10 0 ECAERN C[C@@H](C(=O)N(C)C)N1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000105921972 436587013 /nfs/dbraw/zinc/58/70/13/436587013.db2.gz PERYKYVAEFXVLQ-JKSUJKDBSA-N 0 0 335.448 0.521 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)Cc2cc3ccccc3[nH]c2=O)CC1 ZINC000106395311 436593059 /nfs/dbraw/zinc/59/30/59/436593059.db2.gz LEOYQXWDVWVBHI-INIZCTEOSA-N 0 0 343.427 0.986 10 0 ECAERN Cc1cc(C)n(C[C@@H]2CN(Cc3cc(=O)n4nccc4[nH]3)CCO2)n1 ZINC000108867894 436621258 /nfs/dbraw/zinc/62/12/58/436621258.db2.gz BROIFLMYEBSKEC-HNNXBMFYSA-N 0 0 342.403 0.737 10 0 ECAERN O=C(NCCN1C(=O)CNC1=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000113372934 436637157 /nfs/dbraw/zinc/63/71/57/436637157.db2.gz RMVJOPFDGYYMFV-DTWKUNHWSA-N 0 0 336.314 0.959 10 0 ECAERN C[C@H](NC(=O)NCCN1C(=O)CNC1=O)c1ccc(F)c(F)c1 ZINC000113368836 436637369 /nfs/dbraw/zinc/63/73/69/436637369.db2.gz GHUMHAOAPYCZNX-QMMMGPOBSA-N 0 0 326.303 0.877 10 0 ECAERN CN(C)C(=O)Cn1cc(C(=O)N2CCCC[C@H]2c2cn[nH]c2)nn1 ZINC000113897412 436638591 /nfs/dbraw/zinc/63/85/91/436638591.db2.gz NXARYYITMLMYGG-ZDUSSCGKSA-N 0 0 331.380 0.457 10 0 ECAERN Cc1cnn([C@H]2CCCN(C(=O)NCCN3C(=O)CCC3=O)C2)c1 ZINC000114029660 436639526 /nfs/dbraw/zinc/63/95/26/436639526.db2.gz GGHGATUZYGUMOW-ZDUSSCGKSA-N 0 0 333.392 0.687 10 0 ECAERN CCC[C@@H](C(=O)OCC)N1CCN(c2ccc3nncn3n2)CC1 ZINC000114802820 436644080 /nfs/dbraw/zinc/64/40/80/436644080.db2.gz XZNAZSOLRHVAAY-ZDUSSCGKSA-N 0 0 332.408 0.978 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)CSc1nnnn1C1CC1)CC2 ZINC000114867232 436644517 /nfs/dbraw/zinc/64/45/17/436644517.db2.gz JNOVTISUCHPODJ-VIFPVBQESA-N 0 0 348.436 0.385 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)C(=O)c1c(C)nn(C)c1C)CC2 ZINC000114865979 436644835 /nfs/dbraw/zinc/64/48/35/436644835.db2.gz XJYYXDBXOMZASK-LLVKDONJSA-N 0 0 330.392 0.505 10 0 ECAERN CCN1CCC[C@H](NS(=O)(=O)c2ccc3c(c2)C(=O)NCC3)C1 ZINC000116330899 436649994 /nfs/dbraw/zinc/64/99/94/436649994.db2.gz VDYHARIFODJCDD-ZDUSSCGKSA-N 0 0 337.445 0.735 10 0 ECAERN COCCN1CCN(C(=O)[C@@H]2Cc3ccccc3C(=O)O2)C[C@@H]1C ZINC000117295914 436655151 /nfs/dbraw/zinc/65/51/51/436655151.db2.gz UMOWGZKAVQSZPZ-BBRMVZONSA-N 0 0 332.400 0.947 10 0 ECAERN CCc1nnc([C@@H]2CN(C(=O)NC[C@H](C)Cn3cccn3)CCO2)[nH]1 ZINC000137224356 436657238 /nfs/dbraw/zinc/65/72/38/436657238.db2.gz VPUIRHFJHZKXAE-STQMWFEESA-N 0 0 347.423 0.983 10 0 ECAERN C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCc1cnn(C)c1 ZINC000120413047 436686523 /nfs/dbraw/zinc/68/65/23/436686523.db2.gz HCSGYRYCOKNSLO-SNVBAGLBSA-N 0 0 347.400 0.164 10 0 ECAERN Cc1noc([C@@H]2COCCN2C(=O)c2ccc3nnn(C)c3c2)n1 ZINC000121100166 436708283 /nfs/dbraw/zinc/70/82/83/436708283.db2.gz GNNIGNVQLFQWBM-ZDUSSCGKSA-N 0 0 328.332 0.873 10 0 ECAERN CCn1cnnc1-c1cccc(NC(=O)C(=O)N2CCC[C@@H]2CO)c1 ZINC000121201591 436709514 /nfs/dbraw/zinc/70/95/14/436709514.db2.gz UAXBSIBWYRGQRG-CQSZACIVSA-N 0 0 343.387 0.887 10 0 ECAERN CCC(=O)N1CC[C@@H](NC(=O)N2CCN(CCOC)[C@H](C)C2)C1 ZINC000151709242 436709961 /nfs/dbraw/zinc/70/99/61/436709961.db2.gz XQZFADAYIBEXQT-ZIAGYGMSSA-N 0 0 326.441 0.359 10 0 ECAERN COCCN(CCOC)C(=O)N[C@H](C)c1nnc2n1CCCC2 ZINC000121276633 436711080 /nfs/dbraw/zinc/71/10/80/436711080.db2.gz GJFRDYMEJRGRKW-GFCCVEGCSA-N 0 0 325.413 0.980 10 0 ECAERN C[C@@H](NC(=O)c1ccco1)C(=O)N(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC000194753223 436671482 /nfs/dbraw/zinc/67/14/82/436671482.db2.gz LMDLDXNKOCKQFI-HZSPNIEDSA-N 0 0 337.420 0.966 10 0 ECAERN CC(=O)N[C@@H]1CCCN(C(=O)CCCNC(=O)c2cccnc2)C1 ZINC000119853477 436672562 /nfs/dbraw/zinc/67/25/62/436672562.db2.gz FYBJQAYCLDKIDI-OAHLLOKOSA-N 0 0 332.404 0.719 10 0 ECAERN C[C@@H]1CCN(C(=O)CC(N)=O)C[C@@H]1N(C)c1ncnc2[nH]ccc21 ZINC000143470865 436674809 /nfs/dbraw/zinc/67/48/09/436674809.db2.gz CRDMXSMPTHMXRD-PWSUYJOCSA-N 0 0 330.392 0.507 10 0 ECAERN O=C(NC[C@@H](O)COc1cccc(C(F)(F)F)c1)[C@@H]1CNC(=O)C1 ZINC000195093418 436678576 /nfs/dbraw/zinc/67/85/76/436678576.db2.gz OVUHUAOKVNWDBT-GXSJLCMTSA-N 0 0 346.305 0.697 10 0 ECAERN Cc1cnn(C[C@H]2CN(C(=O)CCNC(=O)CC(C)C)CCO2)c1 ZINC000120185476 436681580 /nfs/dbraw/zinc/68/15/80/436681580.db2.gz QNYZJKGWOQNLQU-OAHLLOKOSA-N 0 0 336.436 0.971 10 0 ECAERN CCCCOC[C@@H](O)CN1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 ZINC000195198400 436681767 /nfs/dbraw/zinc/68/17/67/436681767.db2.gz FWMHRTBTRREIJV-HNNXBMFYSA-N 0 0 337.420 0.310 10 0 ECAERN CCNC(=O)NC1(C(=O)NC[C@H](C)N2CCOCC2)CCCC1 ZINC000067793550 436723357 /nfs/dbraw/zinc/72/33/57/436723357.db2.gz LWVXFTSCZBQXRY-ZDUSSCGKSA-N 0 0 326.441 0.455 10 0 ECAERN CC(C)C(=O)NCCCNC(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000121792574 436724805 /nfs/dbraw/zinc/72/48/05/436724805.db2.gz QSPBURCXXCVDQR-AWEZNQCLSA-N 0 0 337.424 0.456 10 0 ECAERN CCCC[C@H](NC(=O)NCC)C(=O)N1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000152834442 436741220 /nfs/dbraw/zinc/74/12/20/436741220.db2.gz VWQQNYFZCWPZPT-KFWWJZLASA-N 0 0 342.484 0.778 10 0 ECAERN CC(C)n1cnc(S(=O)(=O)NC[C@@H]2CN(C3CC3)CCO2)c1 ZINC000153273163 436753127 /nfs/dbraw/zinc/75/31/27/436753127.db2.gz SRAXRWOKOKLGRF-CYBMUJFWSA-N 0 0 328.438 0.606 10 0 ECAERN CCS(=O)(=O)CCNC(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000153527164 436758494 /nfs/dbraw/zinc/75/84/94/436758494.db2.gz DNRCZVPXPCJWPA-LLVKDONJSA-N 0 0 343.453 0.450 10 0 ECAERN CC(C)[C@H]1C(=O)NCCN1C(=O)N[C@@H](C)c1nnc2n1CCCC2 ZINC000121385728 436715568 /nfs/dbraw/zinc/71/55/68/436715568.db2.gz PMUIBKGNXDOIEJ-AAEUAGOBSA-N 0 0 334.424 0.841 10 0 ECAERN CC[C@@H](Oc1ccccc1C)C(=O)NC[C@H](O)CN1CCOCC1 ZINC000128030047 436811113 /nfs/dbraw/zinc/81/11/13/436811113.db2.gz UNUATPLMKUJWMD-JKSUJKDBSA-N 0 0 336.432 0.962 10 0 ECAERN C[C@@H](Oc1ccc(F)c(F)c1)C(=O)NC[C@H](O)CN1CCOCC1 ZINC000128141531 436813194 /nfs/dbraw/zinc/81/31/94/436813194.db2.gz PXPGMSRGZJZSQM-NEPJUHHUSA-N 0 0 344.358 0.541 10 0 ECAERN CCc1nccn1[C@H]1CCCN(S(=O)(=O)N(C)CCOC)C1 ZINC000128551054 436816975 /nfs/dbraw/zinc/81/69/75/436816975.db2.gz PZPMMPRGDPFESM-ZDUSSCGKSA-N 0 0 330.454 0.905 10 0 ECAERN O[C@@H](COC1CCOCC1)CN1CCO[C@H](Cn2cccn2)C1 ZINC000245874199 436768968 /nfs/dbraw/zinc/76/89/68/436768968.db2.gz QFDUBCXTZJEOOL-ZBFHGGJFSA-N 0 0 325.409 0.140 10 0 ECAERN CCCn1nccc1NC(=O)C(=O)N1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000154540878 436780585 /nfs/dbraw/zinc/78/05/85/436780585.db2.gz HVXQTMBYLFBXQW-CHWSQXEVSA-N 0 0 337.424 0.145 10 0 ECAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)CNC(=O)c1cccnc1)CC2 ZINC000154789526 436784872 /nfs/dbraw/zinc/78/48/72/436784872.db2.gz KVBXFBVHSIJYHC-ZDUSSCGKSA-N 0 0 342.403 0.658 10 0 ECAERN O=C(CCc1ccccc1)N1CC[C@@H](NC(=O)[C@@H]2CNC(=O)C2)C1 ZINC000154899907 436787201 /nfs/dbraw/zinc/78/72/01/436787201.db2.gz HUQPNNIFOMSMFY-LSDHHAIUSA-N 0 0 329.400 0.472 10 0 ECAERN COc1ccc(CCC(=O)NC[C@@H](O)CN2CCOCC2)cc1F ZINC000129038711 436822110 /nfs/dbraw/zinc/82/21/10/436822110.db2.gz WBUQGRMWTSXGAY-CQSZACIVSA-N 0 0 340.395 0.576 10 0 ECAERN CN(C)S(=O)(=O)c1cc(C(=O)N[C@@H]2CCCn3ncnc32)co1 ZINC000155577268 436797623 /nfs/dbraw/zinc/79/76/23/436797623.db2.gz GRZKKPCBSHSXLF-SNVBAGLBSA-N 0 0 339.377 0.386 10 0 ECAERN CCCNC(=O)[C@H]1CCCN(C(=O)NC[C@@H](C)N2CCOCC2)C1 ZINC000127237688 436798775 /nfs/dbraw/zinc/79/87/75/436798775.db2.gz MMMQKHJPROUVKK-CABCVRRESA-N 0 0 340.468 0.655 10 0 ECAERN C[C@H](Oc1ccccc1Cl)C(=O)NC[C@@H](O)CN1CCOCC1 ZINC000128982463 436822262 /nfs/dbraw/zinc/82/22/62/436822262.db2.gz ZKNOOOKPXFQHOO-QWHCGFSZSA-N 0 0 342.823 0.917 10 0 ECAERN O[C@H](COC1CCOCC1)CN1CCO[C@H](Cn2cccn2)C1 ZINC000127518041 436803238 /nfs/dbraw/zinc/80/32/38/436803238.db2.gz QFDUBCXTZJEOOL-HOCLYGCPSA-N 0 0 325.409 0.140 10 0 ECAERN Cc1noc(C2CCN(C(=O)NC[C@@H](C)N3CCOCC3)CC2)n1 ZINC000130846331 436842871 /nfs/dbraw/zinc/84/28/71/436842871.db2.gz ODECVEVLWUEEII-GFCCVEGCSA-N 0 0 337.424 0.988 10 0 ECAERN CSCc1noc(CCC(=O)N2CC[C@@H](N3CCOCC3)C2)n1 ZINC000131198931 436848213 /nfs/dbraw/zinc/84/82/13/436848213.db2.gz XYVDUGIUCGDOSU-GFCCVEGCSA-N 0 0 340.449 0.798 10 0 ECAERN OC[C@H](O)CN=Nc1nc(N2CCCCC2)nc(N2CCCCC2)n1 ZINC000254368112 436848307 /nfs/dbraw/zinc/84/83/07/436848307.db2.gz ZNSBFSXUAWJOKR-CYBMUJFWSA-N 0 0 349.439 0.603 10 0 ECAERN CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1 ZINC000253552260 436848482 /nfs/dbraw/zinc/84/84/82/436848482.db2.gz QTAJPPVTUORZOQ-BXKDBHETSA-N 0 0 331.376 0.895 10 0 ECAERN C[C@@H](CNC(=O)Nc1ccnn1C[C@@H]1CCOC1)N1CCOCC1 ZINC000159247386 436855203 /nfs/dbraw/zinc/85/52/03/436855203.db2.gz GOOMJYLSVODRCO-KBPBESRZSA-N 0 0 337.424 0.762 10 0 ECAERN C[C@@H]1CN(S(=O)(=O)N2CCC(c3ccnn3C)CC2)C[C@H](C)O1 ZINC000159311276 436857093 /nfs/dbraw/zinc/85/70/93/436857093.db2.gz LHKDUJVVAOVJKT-BETUJISGSA-N 0 0 342.465 0.954 10 0 ECAERN CNC(=O)[C@H]1C[C@H](Oc2ccccc2)CN1C(=O)Cn1ccnc1 ZINC000257194457 436858997 /nfs/dbraw/zinc/85/89/97/436858997.db2.gz UCEGAXLBZQZYOF-LSDHHAIUSA-N 0 0 328.372 0.678 10 0 ECAERN CCOCCN1CCN(C(=O)C(=O)Nc2cnn(CC)c2)C[C@H]1C ZINC000129825071 436828948 /nfs/dbraw/zinc/82/89/48/436828948.db2.gz CPWULYHMOBZDAC-CYBMUJFWSA-N 0 0 337.424 0.411 10 0 ECAERN C[C@@H]1CN(C(=O)c2ccccc2Cn2cncn2)C[C@H](C(N)=O)O1 ZINC000157584319 436829582 /nfs/dbraw/zinc/82/95/82/436829582.db2.gz UAHGILISDVHJFZ-BXUZGUMPSA-N 0 0 329.360 0.041 10 0 ECAERN CCCC[C@@H](NC(N)=O)C(=O)N[C@H]1CCCN(c2cccnn2)C1 ZINC000135285099 436913674 /nfs/dbraw/zinc/91/36/74/436913674.db2.gz IVNVZBBZVHCHLR-QWHCGFSZSA-N 0 0 334.424 0.789 10 0 ECAERN C[C@@H](NC(=O)c1ccccc1OCC(N)=O)c1nnc2n1CCCC2 ZINC000135295956 436914973 /nfs/dbraw/zinc/91/49/73/436914973.db2.gz BMCXODMTEJWPSV-LLVKDONJSA-N 0 0 343.387 0.970 10 0 ECAERN COC(=O)Cn1cc(CCN2CCO[C@H](c3nccs3)C2)nn1 ZINC000162984734 436916234 /nfs/dbraw/zinc/91/62/34/436916234.db2.gz PXDXPLFDOWDZOP-LBPRGKRZSA-N 0 0 337.405 0.524 10 0 ECAERN CN1CCO[C@H](CN[C@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000162109249 436903646 /nfs/dbraw/zinc/90/36/46/436903646.db2.gz MHPQPIHCKZBMOF-OLZOCXBDSA-N 0 0 342.237 0.896 10 0 ECAERN CNC(=O)c1ccc(CN(C)C(=O)NC[C@@H]2CN(C)CCO2)cc1 ZINC000170924659 436962978 /nfs/dbraw/zinc/96/29/78/436962978.db2.gz IDDIGJSHBYFFQW-OAHLLOKOSA-N 0 0 334.420 0.518 10 0 ECAERN COC[C@@H](C)S(=O)(=O)NC1CC([N@@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263497434 436968102 /nfs/dbraw/zinc/96/81/02/436968102.db2.gz ROFWMVJGPWCGDV-QFWMXSHPSA-N 0 0 334.438 0.268 10 0 ECAERN CO[C@H](C)CS(=O)(=O)NC1CC([N@@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263512347 436969808 /nfs/dbraw/zinc/96/98/08/436969808.db2.gz YHYSKIUZPBDSFO-QFWMXSHPSA-N 0 0 334.438 0.268 10 0 ECAERN CN1CCO[C@H](CNC(=O)CS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000171288631 436975646 /nfs/dbraw/zinc/97/56/46/436975646.db2.gz HMFDUNCXDJGVLM-GFCCVEGCSA-N 0 0 346.836 0.561 10 0 ECAERN CN(C)c1cccc(CNC(=O)N2CC[C@H](N3CCOCC3)C2)n1 ZINC000164204318 436930797 /nfs/dbraw/zinc/93/07/97/436930797.db2.gz RJRSGJLIVJONMD-HNNXBMFYSA-N 0 0 333.436 0.764 10 0 ECAERN CCCC(=O)N1CCC[C@@H]1C(=O)NC1CC([N@H+](CC)CC(=O)[O-])C1 ZINC000262699584 436940059 /nfs/dbraw/zinc/94/00/59/436940059.db2.gz HNVMTVOZNZEKAM-JXQTWKCFSA-N 0 0 339.436 0.831 10 0 ECAERN COc1ccc(CC(=O)N2CCO[C@H](C[N@H+](C)CC(=O)[O-])C2)cc1 ZINC000262969701 436945805 /nfs/dbraw/zinc/94/58/05/436945805.db2.gz RQNPWOWOEKLKQQ-OAHLLOKOSA-N 0 0 336.388 0.482 10 0 ECAERN C[N@@H+](CC(=O)[O-])C[C@@H]1CN(C(=O)CCc2cccs2)CCO1 ZINC000263015874 436949869 /nfs/dbraw/zinc/94/98/69/436949869.db2.gz ZIMKTPFHZUOIGV-GFCCVEGCSA-N 0 0 326.418 0.925 10 0 ECAERN CN1CCO[C@@H](CNC(=O)NCc2ccc(Cn3cncn3)cc2)C1 ZINC000170920471 436960400 /nfs/dbraw/zinc/96/04/00/436960400.db2.gz CJHDVVWKGVNYBP-INIZCTEOSA-N 0 0 344.419 0.456 10 0 ECAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)N[C@H]1CCc3ncnn3C1)CC2 ZINC000172604374 437022519 /nfs/dbraw/zinc/02/25/19/437022519.db2.gz YXNXZESZVFQUBE-RYUDHWBXSA-N 0 0 344.423 0.622 10 0 ECAERN CCN(C(=O)[C@H](C)N1CCN2CCC[C@@H]2C1)[C@@H]1CCS(=O)(=O)C1 ZINC000171643112 436984204 /nfs/dbraw/zinc/98/42/04/436984204.db2.gz GMBJYTFRCZLKSB-RRFJBIMHSA-N 0 0 343.493 0.191 10 0 ECAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)N[C@@H](C)C(=O)N(C)C)C2)n1 ZINC000172122814 436999030 /nfs/dbraw/zinc/99/90/30/436999030.db2.gz KJQAOZUXOOOXAF-SMDDNHRTSA-N 0 0 336.440 0.793 10 0 ECAERN COCCN1CCN(C(=O)N[C@@H](C)CN2CCCC2=O)C[C@H]1C ZINC000172328934 437011603 /nfs/dbraw/zinc/01/16/03/437011603.db2.gz NUXBXGSAJQVTPV-UONOGXRCSA-N 0 0 326.441 0.359 10 0 ECAERN CNc1cc(N2CCC[C@@H]2CNC(=O)CNC(=O)C(C)(C)C)ncn1 ZINC000173424506 437049566 /nfs/dbraw/zinc/04/95/66/437049566.db2.gz PRBVRIDZRIHOIV-GFCCVEGCSA-N 0 0 348.451 0.766 10 0 ECAERN Cc1nnc([C@H]2CN(C(=O)CCNC(=O)c3ccsc3)CCO2)[nH]1 ZINC000173527587 437054102 /nfs/dbraw/zinc/05/41/02/437054102.db2.gz HBQBSZJQFLESOA-GFCCVEGCSA-N 0 0 349.416 0.895 10 0 ECAERN COc1cccc(CNC(=O)CN2CCO[C@H](c3nnc(C)[nH]3)C2)c1 ZINC000173666746 437059378 /nfs/dbraw/zinc/05/93/78/437059378.db2.gz YKZDGNACAZLEKO-HNNXBMFYSA-N 0 0 345.403 0.811 10 0 ECAERN Cc1nnc([C@H]2CN(CCN3C(=O)c4ccccc4C3=O)CCO2)[nH]1 ZINC000173678308 437060117 /nfs/dbraw/zinc/06/01/17/437060117.db2.gz SXMHIRSWVIUQCV-CQSZACIVSA-N 0 0 341.371 0.783 10 0 ECAERN CCc1nc(C2(NCC(=O)N[C@@H](C)C(=O)N(C)C)CCCC2)no1 ZINC000173694764 437062545 /nfs/dbraw/zinc/06/25/45/437062545.db2.gz QRRNVUVNNYZHCD-NSHDSACASA-N 0 0 337.424 0.584 10 0 ECAERN O=C(c1cn(Cc2cccs2)nn1)N1CC[C@H](N2CCOCC2)C1 ZINC000173764201 437062562 /nfs/dbraw/zinc/06/25/62/437062562.db2.gz PURKDKBYSFQPAJ-ZDUSSCGKSA-N 0 0 347.444 0.935 10 0 ECAERN CC[C@H](O)CN1CCN(Cc2csc(CS(C)(=O)=O)n2)CC1 ZINC000174070612 437072805 /nfs/dbraw/zinc/07/28/05/437072805.db2.gz AVUIQFXXNNRRPE-ZDUSSCGKSA-N 0 0 347.506 0.576 10 0 ECAERN C[C@H](CNC(=O)C(=O)Nc1ccc2ccn(C)c2c1)N1CCOCC1 ZINC000174629209 437083394 /nfs/dbraw/zinc/08/33/94/437083394.db2.gz LUINWHBDBQJHRO-CYBMUJFWSA-N 0 0 344.415 0.954 10 0 ECAERN CCN1CCO[C@@H](C(=O)N2CCC(N(C)c3cccnn3)CC2)C1 ZINC000174650359 437085198 /nfs/dbraw/zinc/08/51/98/437085198.db2.gz VABPVYOZVHCWFB-OAHLLOKOSA-N 0 0 333.436 0.625 10 0 ECAERN Cc1cc(N2CCC[C@@H](NC(=O)c3cnc(C)cn3)C2=O)n(C)n1 ZINC000174980373 437091688 /nfs/dbraw/zinc/09/16/88/437091688.db2.gz KXZZKOBBDWVAKJ-GFCCVEGCSA-N 0 0 328.376 0.752 10 0 ECAERN CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000175041792 437095154 /nfs/dbraw/zinc/09/51/54/437095154.db2.gz DHPLQCATOHUOPU-NWDGAFQWSA-N 0 0 343.387 0.310 10 0 ECAERN NC(=O)[C@H]1COCCN1C(=O)c1ccc(Br)c(F)c1 ZINC000091778985 303333665 /nfs/dbraw/zinc/33/36/65/303333665.db2.gz HZFHIWPJFVPITJ-SNVBAGLBSA-N 0 0 331.141 0.915 10 0 ECAERN Cc1nnc([C@H]2CN(C(=O)NCc3cccnc3N(C)C)CCO2)[nH]1 ZINC000175373665 437102696 /nfs/dbraw/zinc/10/26/96/437102696.db2.gz QDIMRERAQAKXRF-CYBMUJFWSA-N 0 0 345.407 0.857 10 0 ECAERN Cc1nnc([C@H]2CN(C(=O)NCc3cccc(CO)c3)CCO2)[nH]1 ZINC000175507397 437106578 /nfs/dbraw/zinc/10/65/78/437106578.db2.gz SBEYMHFKMXRWLU-CQSZACIVSA-N 0 0 331.376 0.889 10 0 ECAERN Cc1nn(C)c(C)c1CCNC(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000175688072 437112621 /nfs/dbraw/zinc/11/26/21/437112621.db2.gz LJMSLMNZLBSWCS-CXAGYDPISA-N 0 0 349.479 0.942 10 0 ECAERN COCCN1C(=O)N[C@@H]2CN(Cc3c(Cl)cnn3C)CC[C@@H]21 ZINC000299746710 437109007 /nfs/dbraw/zinc/10/90/07/437109007.db2.gz ZHTPJNSWRQYNPO-NEPJUHHUSA-N 0 0 327.816 0.688 10 0 ECAERN Cn1cc([C@H]2CN(S(=O)(=O)CC[C@H]3CCCO3)CCO2)cn1 ZINC000299754329 437110726 /nfs/dbraw/zinc/11/07/26/437110726.db2.gz QGWOTOVHXIYMSZ-ZIAGYGMSSA-N 0 0 329.422 0.692 10 0 ECAERN CCC1(CC)CN(c2ncc(S(N)(=O)=O)s2)CC[S@]1=O ZINC000302218786 437141948 /nfs/dbraw/zinc/14/19/48/437141948.db2.gz LGNSOVROSUFBGW-LJQANCHMSA-N 0 0 337.492 0.918 10 0 ECAERN Cc1nc2n(n1)CCC[C@@H]2Nc1cc(N2CCN(C)C(=O)C2)ncn1 ZINC000302591972 437146586 /nfs/dbraw/zinc/14/65/86/437146586.db2.gz WHKXQNHDLDPYTM-LBPRGKRZSA-N 0 0 342.407 0.602 10 0 ECAERN Cc1ccc(CNC(=O)C2CCN(C(=O)[C@H]3CNC(=O)C3)CC2)cc1 ZINC000176954588 437163147 /nfs/dbraw/zinc/16/31/47/437163147.db2.gz FDQBJJAPFMNIIH-MRXNPFEDSA-N 0 0 343.427 0.986 10 0 ECAERN Cc1noc(C)c1S(=O)(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000176996206 437163587 /nfs/dbraw/zinc/16/35/87/437163587.db2.gz RACXGNKUUOJSAH-ZWNOBZJWSA-N 0 0 329.422 0.633 10 0 ECAERN C[C@@H]1CN(C(=O)NCc2nnc3n2CCCC3)C[C@H]1N1CCOCC1 ZINC000175692507 437112794 /nfs/dbraw/zinc/11/27/94/437112794.db2.gz ZQHXTKUOSNMYIT-ZIAGYGMSSA-N 0 0 348.451 0.477 10 0 ECAERN Cc1nn(C)c(C)c1CCNC(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000175688054 437113489 /nfs/dbraw/zinc/11/34/89/437113489.db2.gz LJMSLMNZLBSWCS-SUMWQHHRSA-N 0 0 349.479 0.942 10 0 ECAERN CCOCCNC(=O)CN1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000175960156 437124878 /nfs/dbraw/zinc/12/48/78/437124878.db2.gz RDEBWPVZIBUWQT-KRWDZBQOSA-N 0 0 335.448 0.490 10 0 ECAERN O=C(Nc1ccc(-n2nccn2)cc1)C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000177184078 437173856 /nfs/dbraw/zinc/17/38/56/437173856.db2.gz FBZXQQHLVPNTNN-KGLIPLIRSA-N 0 0 329.360 0.626 10 0 ECAERN C[C@H]1CN(C(=O)c2nc3ccccc3c(=O)[nH]2)C[C@@H]1N1CCOCC1 ZINC000177232320 437176158 /nfs/dbraw/zinc/17/61/58/437176158.db2.gz ZMVUQYDLNJEWCJ-WFASDCNBSA-N 0 0 342.399 0.716 10 0 ECAERN Cc1cc(CN2CCN(C(=O)N[C@H]3CCCn4ncnc43)CC2)no1 ZINC000177315895 437178053 /nfs/dbraw/zinc/17/80/53/437178053.db2.gz TXGTWEJUFXGHNO-AWEZNQCLSA-N 0 0 345.407 0.937 10 0 ECAERN O=C(CSC[C@H](O)CO)N1CCN(c2ccc(F)cc2)CC1 ZINC000177413076 437183562 /nfs/dbraw/zinc/18/35/62/437183562.db2.gz IJWPFAZFWAWJIE-CQSZACIVSA-N 0 0 328.409 0.561 10 0 ECAERN CCn1c2nnc(CSC[C@@H](O)CO)n2c2ccccc2c1=O ZINC000177441898 437185231 /nfs/dbraw/zinc/18/52/31/437185231.db2.gz XSEGJSAEUDKVJZ-JTQLQIEISA-N 0 0 334.401 0.651 10 0 ECAERN C[C@@H](O)CN1CCN(C(=O)C(=O)Nc2cc(F)cc(F)c2)C[C@H]1C ZINC000177604054 437191540 /nfs/dbraw/zinc/19/15/40/437191540.db2.gz FEYHDHAKIWDJQK-GHMZBOCLSA-N 0 0 341.358 0.817 10 0 ECAERN O=C(N[C@@H]1CC(=O)N(C2CC2)C1)N1CCC(Nc2cccnn2)CC1 ZINC000177610565 437191733 /nfs/dbraw/zinc/19/17/33/437191733.db2.gz LSKBLPYYPFWNDX-CYBMUJFWSA-N 0 0 344.419 0.826 10 0 ECAERN CNC(=O)[C@H](NC(=O)NCCNC(=O)c1ccc(F)cc1)C(C)C ZINC000178416343 437213376 /nfs/dbraw/zinc/21/33/76/437213376.db2.gz NLQVVGVITRPBOM-CYBMUJFWSA-N 0 0 338.383 0.625 10 0 ECAERN Cn1ncnc1CN1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000177141732 437170970 /nfs/dbraw/zinc/17/09/70/437170970.db2.gz TVKSTWFIBCLSDM-HNNXBMFYSA-N 0 0 331.420 0.373 10 0 ECAERN O=S(=O)(CCC1CC1)N1CC[C@](O)(c2nc(C3CC3)no2)C1 ZINC000328611616 437239437 /nfs/dbraw/zinc/23/94/37/437239437.db2.gz MAZWJJUFIUGBSP-CQSZACIVSA-N 0 0 327.406 0.970 10 0 ECAERN CCn1cnnc1[C@H]1CN(C(=O)[C@@H](C)N2CCSCC2)CCO1 ZINC000328615988 437239451 /nfs/dbraw/zinc/23/94/51/437239451.db2.gz BGYZDFFZPXZVPC-CHWSQXEVSA-N 0 0 339.465 0.635 10 0 ECAERN CNC(=O)[C@H](NC(=O)c1ccc2c(c1)NC(=O)CCN2C)C(C)C ZINC000179123997 437253305 /nfs/dbraw/zinc/25/33/05/437253305.db2.gz YBZWVMRHSOCAOV-OAHLLOKOSA-N 0 0 332.404 0.965 10 0 ECAERN O=C(CN1C[C@@H](O)C[C@@H]1CO)Nc1ccc(Br)cc1F ZINC000179171090 437253939 /nfs/dbraw/zinc/25/39/39/437253939.db2.gz PQXVVVXZRCOFKM-ZJUUUORDSA-N 0 0 347.184 0.954 10 0 ECAERN O=C(CN1C[C@@H](O)C[C@@H]1CO)NCCc1nc2ccccc2s1 ZINC000179178947 437255773 /nfs/dbraw/zinc/25/57/73/437255773.db2.gz VPUABUVUEOXDIP-NEPJUHHUSA-N 0 0 335.429 0.383 10 0 ECAERN CC(C)c1nc([C@@H]2CCCN2Cc2cn(C)c(=O)n(C)c2=O)no1 ZINC000179840276 437276243 /nfs/dbraw/zinc/27/62/43/437276243.db2.gz LAOYPOZAJBKWPJ-LBPRGKRZSA-N 0 0 333.392 0.928 10 0 ECAERN CNC(=O)[C@H](NC(=O)C(=O)Nc1ccc2oc(C)nc2c1)C(C)C ZINC000179901066 437276802 /nfs/dbraw/zinc/27/68/02/437276802.db2.gz JPMWIFUZFARCBG-CYBMUJFWSA-N 0 0 332.360 0.962 10 0 ECAERN C[C@H]1CN(C(=O)C(=O)Nc2ccc(F)cc2)C[C@H]1N1CCOCC1 ZINC000180254079 437284023 /nfs/dbraw/zinc/28/40/23/437284023.db2.gz GDQJJTDZSLMTEE-SWLSCSKDSA-N 0 0 335.379 0.943 10 0 ECAERN CCCn1nccc1NC(=O)C(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000180260744 437285183 /nfs/dbraw/zinc/28/51/83/437285183.db2.gz DOJXVHKYPCSLAT-ZIAGYGMSSA-N 0 0 349.435 0.411 10 0 ECAERN COc1ccc(C(=O)NC[C@H]2CN(C)CCO2)nc1Br ZINC000182929888 437368872 /nfs/dbraw/zinc/36/88/72/437368872.db2.gz DRPSBOYUXIUBOA-VIFPVBQESA-N 0 0 344.209 0.913 10 0 ECAERN CCS(=O)(=O)CCNC(=O)N[C@H]1CCc2nnc(C(C)C)n2C1 ZINC000181585202 437323733 /nfs/dbraw/zinc/32/37/33/437323733.db2.gz VYYGEXNFTKBBNG-NSHDSACASA-N 0 0 343.453 0.450 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)NC[C@@H](c2ccco2)N(C)C)CC1 ZINC000184702948 437408253 /nfs/dbraw/zinc/40/82/53/437408253.db2.gz KJXFBRLHZOEHJN-GJZGRUSLSA-N 0 0 338.452 0.980 10 0 ECAERN COCC(=O)NC1CN(C[C@@H](O)COc2c(C)ccc(C)c2C)C1 ZINC000185088399 437425505 /nfs/dbraw/zinc/42/55/05/437425505.db2.gz SYGYPQPCQUVIDV-MRXNPFEDSA-N 0 0 336.432 0.798 10 0 ECAERN CCOCC[N@@H+]1CCN(C(=O)NCC(=O)NCC2CC2)C[C@@H]1CC ZINC000183775622 437390493 /nfs/dbraw/zinc/39/04/93/437390493.db2.gz ATKGSWDMQXBNBP-HNNXBMFYSA-N 0 0 340.468 0.655 10 0 ECAERN Cn1ccc(NC(=O)C(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)n1 ZINC000186311605 437469817 /nfs/dbraw/zinc/46/98/17/437469817.db2.gz XKWSLCOMLRDJIT-RYUDHWBXSA-N 0 0 334.401 0.655 10 0 ECAERN COCC(=O)NC1CN(C(=O)[C@H](C)Oc2ccc(F)c(F)c2)C1 ZINC000185230917 437432617 /nfs/dbraw/zinc/43/26/17/437432617.db2.gz PBOQVYYKXIEOHV-VIFPVBQESA-N 0 0 328.315 0.706 10 0 ECAERN Cc1nnc([C@H]2CN(C(=O)c3ccc4nnn(C)c4c3)CCO2)[nH]1 ZINC000185361098 437436415 /nfs/dbraw/zinc/43/64/15/437436415.db2.gz PTFCAKTUNFHGRV-CYBMUJFWSA-N 0 0 327.348 0.609 10 0 ECAERN CCN(CC)C(=O)[C@@H]1CCCN1C(=O)NCc1cc(C(N)=O)co1 ZINC000188037553 437521702 /nfs/dbraw/zinc/52/17/02/437521702.db2.gz RLZMBLIFJOMLQX-ZDUSSCGKSA-N 0 0 336.392 0.921 10 0 ECAERN Cc1ccc(CCC(=O)NCC(=O)N2CCCNC(=O)[C@@H]2C)cc1 ZINC000188064951 437525169 /nfs/dbraw/zinc/52/51/69/437525169.db2.gz OHWLFVAZEXLNTP-AWEZNQCLSA-N 0 0 331.416 0.781 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)N1CCN(CC(C)C)C(=O)C1)CC2 ZINC000187113570 437492045 /nfs/dbraw/zinc/49/20/45/437492045.db2.gz TXRLUKSOTKKFDX-ZDUSSCGKSA-N 0 0 348.451 0.665 10 0 ECAERN COCC(=O)NC1CN(C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)C1 ZINC000188471309 437550862 /nfs/dbraw/zinc/55/08/62/437550862.db2.gz YQLHKDOWNPQVQE-OAHLLOKOSA-N 0 0 348.447 0.316 10 0 ECAERN C[C@@H](NC(=O)c1cccs1)C(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188476425 437551537 /nfs/dbraw/zinc/55/15/37/437551537.db2.gz HFHZFXWZLIFKJF-SNVBAGLBSA-N 0 0 335.429 0.994 10 0 ECAERN CC(=O)NC1CN(S(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)C1 ZINC000188545773 437554018 /nfs/dbraw/zinc/55/40/18/437554018.db2.gz JUOUDJAFSYOVHV-NHYWBVRUSA-N 0 0 328.434 0.532 10 0 ECAERN CCc1ccc(N2C[C@H](C(=O)N3CC(NC(C)=O)C3)CC2=O)cc1 ZINC000190500904 437628132 /nfs/dbraw/zinc/62/81/32/437628132.db2.gz IZFLYYXGUDXQMJ-CQSZACIVSA-N 0 0 329.400 0.949 10 0 ECAERN CCn1cc(NC(=O)C(=O)N2CCC[C@@H]2Cn2ccnc2)ccc1=O ZINC000190749562 437635271 /nfs/dbraw/zinc/63/52/71/437635271.db2.gz HQVWOGKSVAULAZ-CQSZACIVSA-N 0 0 343.387 0.694 10 0 ECAERN CCc1ncc(NC(=O)C(=O)N2CCC[C@@H]2Cn2ccnc2)cn1 ZINC000190746510 437637111 /nfs/dbraw/zinc/63/71/11/437637111.db2.gz LLDQCTLALYGLSV-CYBMUJFWSA-N 0 0 328.376 0.865 10 0 ECAERN CN(Cc1ccccc1F)C(=O)CN1CC[C@@]2(C1)NC(=O)NC2=O ZINC000361946702 437704823 /nfs/dbraw/zinc/70/48/23/437704823.db2.gz VOBVRCJVGCLVIJ-INIZCTEOSA-N 0 0 334.351 0.068 10 0 ECAERN C[C@H]1C(=O)NCCCN1C(=O)N[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000364978852 437837566 /nfs/dbraw/zinc/83/75/66/437837566.db2.gz GIUIQXVPBHHHPE-STQMWFEESA-N 0 0 330.388 0.712 10 0 ECAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)[C@H](C)N3CCN(C)CC3)C2)n1 ZINC000371651058 437973573 /nfs/dbraw/zinc/97/35/73/437973573.db2.gz WSMAGASCDSQCAK-YOEHRIQHSA-N 0 0 348.495 0.769 10 0 ECAERN C[C@@H]1CN(S(=O)(=O)N2CCO[C@H](c3cnn(C)c3)C2)C[C@H](C)O1 ZINC000365883999 437983198 /nfs/dbraw/zinc/98/31/98/437983198.db2.gz NRTQOJDWHMXUIT-SCRDCRAPSA-N 0 0 344.437 0.147 10 0 ECAERN COCCN1CCN(C(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)C[C@H]1C ZINC000371739605 437984309 /nfs/dbraw/zinc/98/43/09/437984309.db2.gz OATMWLDBDUKRTI-WWGRRREGSA-N 0 0 341.477 0.620 10 0 ECAERN CNC(=O)[C@@H]1CCCN(C(=O)N[C@@H]2CCCC[C@H]2S(C)(=O)=O)C1 ZINC000366472119 438079577 /nfs/dbraw/zinc/07/95/77/438079577.db2.gz ZBEDYBNOFDBCBT-JHJVBQTASA-N 0 0 345.465 0.510 10 0 ECAERN CCCc1nnc(NC(=O)N2C[C@@H](O)C[C@@H]2c2nc(C)no2)s1 ZINC000431899339 438174410 /nfs/dbraw/zinc/17/44/10/438174410.db2.gz PVSWNVMVFTUPMG-DTWKUNHWSA-N 0 0 338.393 1.522 10 0 ECAERN Cc1cc(CC(=O)N2CCO[C@H](c3ccnc(N(C)C)n3)C2)[nH]n1 ZINC000369604317 438495767 /nfs/dbraw/zinc/49/57/67/438495767.db2.gz UDKDNOIHSUWXPF-AWEZNQCLSA-N 0 0 330.392 0.717 10 0 ECAERN CC1(C)O[C@H]2[C@@H](OCc3ccccc3)O[C@H]([C@H](O)[C@@H](O)CO)[C@@H]2O1 ZINC000575173215 438741336 /nfs/dbraw/zinc/74/13/36/438741336.db2.gz QYCQBMVUWJKAQL-FBRBKTQXSA-N 0 0 340.372 0.162 10 0 ECAERN C[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H](CS(=O)(=O)N2CCOCC2)C1 ZINC000521396683 439118336 /nfs/dbraw/zinc/11/83/36/439118336.db2.gz OLIDBQBLRBRHFN-MCIONIFRSA-N 0 0 330.450 0.543 10 0 ECAERN O[C@H]1COCC[C@H]1NCc1ncc(I)s1 ZINC000599012539 439344473 /nfs/dbraw/zinc/34/44/73/439344473.db2.gz SYEOKSGZQNFLIS-RQJHMYQMSA-N 0 0 340.186 0.987 10 0 ECAERN CC(C)n1cc([C@@]2(O)CCCN(S(=O)(=O)CC3CC3)C2)nn1 ZINC000583616428 439486874 /nfs/dbraw/zinc/48/68/74/439486874.db2.gz PUSCHGZJYZPHDM-CQSZACIVSA-N 0 0 328.438 0.882 10 0 ECAERN CN(C[C@@H]1C[C@H](F)CN1Cc1cncnc1)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC000583621778 439487559 /nfs/dbraw/zinc/48/75/59/439487559.db2.gz NJZVXZKTPXPVCV-ILXRZTDVSA-N 0 0 349.410 0.326 10 0 ECAERN CCOC(=O)C1=NN=C2C=CC(I)=CN2[C@H]1O ZINC000585656143 439641920 /nfs/dbraw/zinc/64/19/20/439641920.db2.gz IBSBZCPGTXVFQM-VIFPVBQESA-N 0 0 347.112 0.784 10 0 ECAERN CCn1cc(O[C@@H]2CN(C(=O)c3cnn4cccnc34)C[C@H]2O)cn1 ZINC000628245894 440439041 /nfs/dbraw/zinc/43/90/41/440439041.db2.gz PQSOYXWAZCLJQP-ZIAGYGMSSA-N 0 0 342.359 0.210 10 0 ECAERN O=C(N[C@H]1CCC(=O)N[C@@H]1[C@H]1CCCO1)c1[nH]ncc1C(F)(F)F ZINC000633127991 440457775 /nfs/dbraw/zinc/45/77/75/440457775.db2.gz NXOKWXKWIPUQKT-SBMIAAHKSA-N 0 0 346.309 0.985 10 0 ECAERN O=C(NCCCN1CCOCC1)[C@@H](Cc1ccccc1)n1cnnn1 ZINC000644676104 440672298 /nfs/dbraw/zinc/67/22/98/440672298.db2.gz AUPFDALIZKOIMN-MRXNPFEDSA-N 0 0 344.419 0.295 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)CC2(CS(C)(=O)=O)CC2)CC1 ZINC000176781391 320520419 /nfs/dbraw/zinc/52/04/19/320520419.db2.gz IXGXBBZJLPWQQD-CYBMUJFWSA-N 0 0 332.466 0.116 10 0 ECAERN CC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2ccc3c(c2)N(C)CC3)C1 ZINC000180467482 320524519 /nfs/dbraw/zinc/52/45/19/320524519.db2.gz NFYUUECKPNKGCQ-HNNXBMFYSA-N 0 0 344.415 0.745 10 0 ECAERN COCCN1CCCN(C(=O)C[C@H](C)N2CCCCC2=O)CC1=O ZINC000328738414 320730123 /nfs/dbraw/zinc/73/01/23/320730123.db2.gz KUACDXXHCHQOMF-AWEZNQCLSA-N 0 0 339.436 0.485 10 0 ECAERN CCNS(=O)(=O)[C@H]1CCN(C(=O)C[C@H]2CCCCC(=O)N2)C1 ZINC000328830702 320735028 /nfs/dbraw/zinc/73/50/28/320735028.db2.gz RDZACXGVKNBEQO-NEPJUHHUSA-N 0 0 331.438 0.816 10 0 ECAERN O=C(Cn1ncc(=O)c2ccccc21)N1CCOC[C@H]1[C@@H]1CCCO1 ZINC000329378875 320769126 /nfs/dbraw/zinc/76/91/26/320769126.db2.gz MSTDVSRUENARDE-RDJZCZTQSA-N 0 0 343.383 0.803 10 0 ECAERN O=C([C@@H]1OC[C@@H]2COCC[C@@H]12)N1CCN(c2ccccc2)C(=O)C1 ZINC000329605553 320781349 /nfs/dbraw/zinc/78/13/49/320781349.db2.gz ZKPKRZMGKOQKTD-YSVLISHTSA-N 0 0 330.384 0.913 10 0 ECAERN CCN1CCN(C(=O)Cc2noc(C(=O)N3CCC[C@@H](C)C3)n2)CC1 ZINC000329763258 320788549 /nfs/dbraw/zinc/78/85/49/320788549.db2.gz UHPOEXRQOACNSC-CYBMUJFWSA-N 0 0 349.435 0.648 10 0 ECAERN Cc1cc(C)n2nc(CC(=O)N3CCO[C@@]4(CCOC4)C3)nc2n1 ZINC000329960382 320797652 /nfs/dbraw/zinc/79/76/52/320797652.db2.gz RBUQOWJFKMHMSK-INIZCTEOSA-N 0 0 331.376 0.302 10 0 ECAERN CCOC(=O)[C@@H]1CCCN(C(=O)[C@]2(O)CCCN(C(C)=O)C2)C1 ZINC000347237284 321234713 /nfs/dbraw/zinc/23/47/13/321234713.db2.gz PIFWCIWDMQRCNN-CJNGLKHVSA-N 0 0 326.393 0.162 10 0 ECAERN C[C@H]1CN(C(=O)c2ccc3[nH]c(=O)[nH]c3c2)C[C@H]1N1CCOCC1 ZINC000173967149 533878020 /nfs/dbraw/zinc/87/80/20/533878020.db2.gz VQZOHWYRCNKAPU-XHDPSFHLSA-N 0 0 330.388 0.649 10 0 ECAERN NC(=O)NCCCCC(=O)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000171558255 534395395 /nfs/dbraw/zinc/39/53/95/534395395.db2.gz LEEOJDRTXQFDGO-INIZCTEOSA-N 0 0 348.447 0.703 10 0 ECAERN Cc1nc(C[C@@H]2CCCN(S(=O)(=O)c3cnn(C)c3)C2)no1 ZINC000171429601 534410852 /nfs/dbraw/zinc/41/08/52/534410852.db2.gz XGHDAZKPQMAXGS-NSHDSACASA-N 0 0 325.394 0.755 10 0 ECAERN O=C(CN1CC(=O)NC1=O)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000168758527 534516094 /nfs/dbraw/zinc/51/60/94/534516094.db2.gz DKNQTPQLHNHRGR-JTQLQIEISA-N 0 0 329.278 0.828 10 0 ECAERN Cc1sc(=O)n(CC(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)c1C ZINC000173819977 534602489 /nfs/dbraw/zinc/60/24/89/534602489.db2.gz AULVAVHSETURHB-BXUZGUMPSA-N 0 0 339.461 0.706 10 0 ECAERN O=C(c1ccc2[nH]c(=O)[nH]c2c1)N1CCO[C@H](Cn2cccn2)C1 ZINC000171882968 534721492 /nfs/dbraw/zinc/72/14/92/534721492.db2.gz OCRROQOMVCLNGS-LBPRGKRZSA-N 0 0 327.344 0.594 10 0 ECAERN CC(=O)N(CCc1ccccc1)CC(=O)N[C@H]1CCc2ncnn2C1 ZINC000153035092 526490288 /nfs/dbraw/zinc/49/02/88/526490288.db2.gz TXGJFPWNQUHLCI-INIZCTEOSA-N 0 0 341.415 0.800 10 0 ECAERN CC(=O)NC1CN(C(=O)C(=O)Nc2c(C)cc(N(C)C)cc2C)C1 ZINC000191347164 526704733 /nfs/dbraw/zinc/70/47/33/526704733.db2.gz FWTOJGRZBRGMGZ-UHFFFAOYSA-N 0 0 332.404 0.655 10 0 ECAERN CC(=O)NC1CN(C(=O)[C@@H]2CCCN(C(=O)c3ccccc3)C2)C1 ZINC000190461395 526712899 /nfs/dbraw/zinc/71/28/99/526712899.db2.gz NQODHNLWZIJEAU-OAHLLOKOSA-N 0 0 329.400 0.886 10 0 ECAERN CC(C)(C)c1ccc(S(=O)(=O)N2CCOC[C@H]2C(N)=O)s1 ZINC000183353945 526786418 /nfs/dbraw/zinc/78/64/18/526786418.db2.gz CHXGHYJMVUVLST-VIFPVBQESA-N 0 0 332.447 0.920 10 0 ECAERN CC(C)[C@H](O)CC(=O)NCCS(=O)(=O)NCc1ccccc1 ZINC000178899898 527719184 /nfs/dbraw/zinc/71/91/84/527719184.db2.gz AFIYBUPAMYZGRX-CQSZACIVSA-N 0 0 328.434 0.629 10 0 ECAERN CCCCS(=O)(=O)N[C@@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000174040597 528724843 /nfs/dbraw/zinc/72/48/43/528724843.db2.gz VQFSXRCXQGIJBP-GFCCVEGCSA-N 0 0 328.438 0.943 10 0 ECAERN CN[C@@H](C(=O)N[C@@H]1CCN(c2ccc(C)cc2)C1=O)c1cnn(C)c1 ZINC000262534170 536337042 /nfs/dbraw/zinc/33/70/42/536337042.db2.gz MKYZABSHCKCNLC-HZPDHXFCSA-N 0 0 341.415 0.911 10 0 ECAERN CCOCCN1CCN(CC(=O)N2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC000105835011 545740265 /nfs/dbraw/zinc/74/02/65/545740265.db2.gz JYYPPVVWBNZOGS-HRCADAONSA-N 0 0 327.469 0.665 10 0 ECAERN CNC(=O)[C@@H]1CCCN1C(=O)NCCNC(=O)c1ccc(F)cc1 ZINC000156555841 545836716 /nfs/dbraw/zinc/83/67/16/545836716.db2.gz RCPDGCHWAPKCDW-ZDUSSCGKSA-N 0 0 336.367 0.476 10 0 ECAERN Cc1ccc(C(=O)N[C@H]2CCCn3ncnc32)cc1S(N)(=O)=O ZINC000175822095 545870396 /nfs/dbraw/zinc/87/03/96/545870396.db2.gz BOWXSKUQIORBOD-NSHDSACASA-N 0 0 335.389 0.499 10 0 ECAERN C[C@@H](NC(=O)[C@@H]1CCCN1S(C)(=O)=O)c1nnc2n1CCCC2 ZINC000178607067 545878845 /nfs/dbraw/zinc/87/88/45/545878845.db2.gz MTUWRFBHIPPDIR-MNOVXSKESA-N 0 0 341.437 0.216 10 0 ECAERN O=C(Nc1cnn(Cc2ccccn2)c1)C(=O)N[C@H]1CCCC[C@H]1O ZINC000178877224 545879872 /nfs/dbraw/zinc/87/98/72/545879872.db2.gz GVSONSPQLVPGDL-LSDHHAIUSA-N 0 0 343.387 0.685 10 0 ECAERN CCC(CC)n1nc(C(=O)NC[C@H](O)CN2CCOCC2)cc1C ZINC000180382264 545882866 /nfs/dbraw/zinc/88/28/66/545882866.db2.gz QANZXCXMZUTBNA-HNNXBMFYSA-N 0 0 338.452 0.976 10 0 ECAERN Cc1cc(-n2cccn2)ccc1NC(=O)C(=O)N[C@H](C(N)=O)C(C)C ZINC000188045727 545902108 /nfs/dbraw/zinc/90/21/08/545902108.db2.gz SZOFLKJOEBCMDI-AWEZNQCLSA-N 0 0 343.387 0.745 10 0 ECAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1C[C@H](C)OC[C@H]1c1ccccc1 ZINC000189167875 545903956 /nfs/dbraw/zinc/90/39/56/545903956.db2.gz BXDGRFDMUODKOX-DXEWXGHRSA-N 0 0 332.400 0.957 10 0 ECAERN C[NH+](C)[C@@H](CNC(=O)[C@H]([NH3+])CCS(C)(=O)=O)C1CCCCC1 ZINC000237146597 545929193 /nfs/dbraw/zinc/92/91/93/545929193.db2.gz JYJHHHDXWMHMNK-KGLIPLIRSA-N 0 0 333.498 0.375 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)N2CC3(C2)CCCOC3)C1 ZINC000263483244 545948960 /nfs/dbraw/zinc/94/89/60/545948960.db2.gz OORFZRBHKHQFDX-UHFFFAOYSA-N 0 0 325.409 0.746 10 0 ECAERN Cc1ccn2cc(C(=O)N3CC[C@@](O)(Cn4ccnn4)C3)nc2c1 ZINC000671500091 548162770 /nfs/dbraw/zinc/16/27/70/548162770.db2.gz RFSNCXPQPLQFFQ-INIZCTEOSA-N 0 0 326.360 0.511 10 0 ECAERN CCO[C@@H]1C[C@@H](NS(=O)(=O)c2cnnn2C)C12CCOCC2 ZINC000684588916 549611159 /nfs/dbraw/zinc/61/11/59/549611159.db2.gz SHMUAXFPDIXISH-GHMZBOCLSA-N 0 0 330.410 0.068 10 0 ECAERN CNC(=O)/C=C/C1=C[C@H]2[C@@H](O)Nc3c(O)c(C)ccc3C(=O)N2C1 ZINC000006071446 560204987 /nfs/dbraw/zinc/20/49/87/560204987.db2.gz VMOHRPRQENZZPX-PCFSSPOYSA-N 0 0 329.356 0.498 10 0 in-vitro ECAERN CC(C)(C)OC(=O)N1CC[C@]2(CC(=O)O[C@H]2CS(N)(=O)=O)C1 ZINC000757224644 579460216 /nfs/dbraw/zinc/46/02/16/579460216.db2.gz PVGIUIBJVYAASA-ZANVPECISA-N 0 0 334.394 0.218 10 0 ECAERN O=S(=O)(c1ccc(N2CCC[C@@H]2CO)cc1)N1CCOCC1 ZINC000892072471 586219953 /nfs/dbraw/zinc/21/99/53/586219953.db2.gz ACGMNTVRTANXBU-CQSZACIVSA-N 0 0 326.418 0.669 10 0 ECAERN CO[C@@H]1CCCCN(CC(=O)N2CCN(C)c3ncccc32)C1=O ZINC000888076031 586245374 /nfs/dbraw/zinc/24/53/74/586245374.db2.gz QQSAERIBICTVSD-CQSZACIVSA-N 0 0 332.404 0.892 10 0 ECAERN C[C@@H](O)CN1CCN(c2nc(Cl)ccc2S(N)(=O)=O)C[C@@H]1C ZINC000892354048 586256941 /nfs/dbraw/zinc/25/69/41/586256941.db2.gz FLYDYUBINTYOLQ-VHSXEESVSA-N 0 0 348.856 0.274 10 0 ECAERN O=C(c1cn([C@@H]2COC[C@H]2O)nn1)N1CCOCC2(CCCC2)C1 ZINC000888093711 586348589 /nfs/dbraw/zinc/34/85/89/586348589.db2.gz PLDFHNGWZMHNDT-ZIAGYGMSSA-N 0 0 336.392 0.243 10 0 ECAERN Cc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2Cc2nn(C)c(=O)n2C)nn1 ZINC000888098130 586350008 /nfs/dbraw/zinc/35/00/08/586350008.db2.gz AFTAGUAMLFYKDI-CHWSQXEVSA-N 0 0 344.419 0.749 10 0 ECAERN O=C(NC1CC1)C1(C(=O)N2CC[C@H](n3cc(C4CC4)nn3)C2)CC1 ZINC000899076674 586469479 /nfs/dbraw/zinc/46/94/79/586469479.db2.gz RNSDMDLVCWJBTG-ZDUSSCGKSA-N 0 0 329.404 0.988 10 0 ECAERN CC[C@H]1CN(C(=O)c2ccnc3[nH]c(=O)[nH]c32)C[C@H]1N1CCOCC1 ZINC000900879366 586672053 /nfs/dbraw/zinc/67/20/53/586672053.db2.gz KKXKOKYPAPIOHY-WCQYABFASA-N 0 0 345.403 0.846 10 0 ECAERN CCn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2cn(C)nc2COC)cn1 ZINC000818596368 587439655 /nfs/dbraw/zinc/43/96/55/587439655.db2.gz AOAIKYTVVXHRQJ-LSDHHAIUSA-N 0 0 349.391 0.359 10 0 ECAERN CCn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2cc(N(C)C)ccn2)cn1 ZINC000818601782 587440294 /nfs/dbraw/zinc/44/02/94/587440294.db2.gz QJHXEJPKKZEFOG-JKSUJKDBSA-N 0 0 345.403 0.940 10 0 ECAERN O=C(C[C@@H]1CC(=O)NC1=O)N1CC[C@@](O)(Cc2ccc(F)cc2)C1 ZINC000823113542 587702892 /nfs/dbraw/zinc/70/28/92/587702892.db2.gz AKQWVJPFUGFOAJ-YVEFUNNKSA-N 0 0 334.347 0.384 10 0 ECAERN Cn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2ncc3c(F)cccn32)cn1 ZINC000862920872 589973494 /nfs/dbraw/zinc/97/34/94/589973494.db2.gz FIWRXNIDCQWDBT-GXTWGEPZSA-N 0 0 345.334 0.783 10 0 ECAERN CC1(C)C(=O)NCCN1C(=O)CCS(=O)(=O)c1ccc(F)cc1 ZINC000021009625 590302812 /nfs/dbraw/zinc/30/28/12/590302812.db2.gz FTTYDWDYBFTZQJ-UHFFFAOYSA-N 0 0 342.392 0.727 10 0 ECAERN Cc1nnnn1-c1ccc(F)c(NC(=O)Cn2ccc([C@H](C)O)n2)c1 ZINC000128876295 590440602 /nfs/dbraw/zinc/44/06/02/590440602.db2.gz LXRSXMRFSZWGQK-VIFPVBQESA-N 0 0 345.338 0.998 10 0 ECAERN C[C@H]1CN=C(N2CCN(C[C@H](O)CN3CCCC3=O)CC2)S1 ZINC000127025501 590512924 /nfs/dbraw/zinc/51/29/24/590512924.db2.gz YOLGGRICVMVLHE-STQMWFEESA-N 0 0 326.466 0.079 10 0 ECAERN Cc1nc(C)n(C[C@@H]2CCCN(Cn3nc4cnccn4c3=O)C2)n1 ZINC000133041878 590676021 /nfs/dbraw/zinc/67/60/21/590676021.db2.gz MRKBMBYUOLXGBS-CQSZACIVSA-N 0 0 342.407 0.469 10 0 ECAERN O=C(NC[C@@H](O)CN1CCOCC1)c1ccnc(Br)c1 ZINC000133057251 590676831 /nfs/dbraw/zinc/67/68/31/590676831.db2.gz AALOPGVPDNGXIA-LLVKDONJSA-N 0 0 344.209 0.267 10 0 ECAERN CO[C@@H]1CN(C(=O)c2cn3ccccc3n2)C[C@H]1c1cn(C)nn1 ZINC000886075722 590790932 /nfs/dbraw/zinc/79/09/32/590790932.db2.gz XUOVCUNFKGHSKO-SMDDNHRTSA-N 0 0 326.360 0.717 10 0 ECAERN CO[C@@H]1CN(C(=O)c2ccc3nccn3c2)C[C@H]1c1cn(C)nn1 ZINC000886077917 590791620 /nfs/dbraw/zinc/79/16/20/590791620.db2.gz JVHIECSWDOZPJV-GXTWGEPZSA-N 0 0 326.360 0.717 10 0 ECAERN Cn1cnnc1C[C@@]1(O)CCCN(C(=O)c2n[nH]c3ccccc32)C1 ZINC000886084890 590792418 /nfs/dbraw/zinc/79/24/18/590792418.db2.gz NNKVCLWPVQPPBD-KRWDZBQOSA-N 0 0 340.387 0.901 10 0 ECAERN CO[C@H]1CCCCN(CC(=O)N2CCC(OCCO)CC2)C1=O ZINC000886088407 590793320 /nfs/dbraw/zinc/79/33/20/590793320.db2.gz TWTKIFUJKZFGCZ-AWEZNQCLSA-N 0 0 328.409 0.014 10 0 ECAERN Cn1cccc1CNC(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1nccn1C ZINC000886088598 590793553 /nfs/dbraw/zinc/79/35/53/590793553.db2.gz KJPYBOQSIQORLR-ZFWWWQNUSA-N 0 0 329.404 0.985 10 0 ECAERN Cc1nocc1NC(=O)NC[C@@H]1OCCN(C)[C@H]1c1cnn(C)c1 ZINC000828080145 591169026 /nfs/dbraw/zinc/16/90/26/591169026.db2.gz IDMAYFBPAJJUCD-KBPBESRZSA-N 0 0 334.380 0.910 10 0 ECAERN Cc1cc(NC(=O)[C@@H](C)NC2=NS(=O)(=O)c3ccccc32)n(C)n1 ZINC000187573289 611470757 /nfs/dbraw/zinc/47/07/57/611470757.db2.gz RGQYYJITYSIKRI-SNVBAGLBSA-N 0 0 347.400 0.794 10 0 ECAERN COCC(=O)NC1CN(C(=O)c2cc(F)cc(C)c2[N+](=O)[O-])C1 ZINC000189174940 611513532 /nfs/dbraw/zinc/51/35/32/611513532.db2.gz JCDDWKKIWGQMQQ-UHFFFAOYSA-N 0 0 325.296 0.629 10 0 ECAERN CC(C)[C@H](NC(=O)C(=O)Nc1cccc(C(F)(F)F)n1)C(N)=O ZINC000190985419 608592863 /nfs/dbraw/zinc/59/28/63/608592863.db2.gz YODNTDKMDHMHIQ-VIFPVBQESA-N 0 0 332.282 0.665 10 0 ECAERN O=C(c1cc(Cl)nc(Cl)c1)N1CC[C@]2(C1)NC(=O)NC2=O ZINC000084796218 608665705 /nfs/dbraw/zinc/66/57/05/608665705.db2.gz UPQJQTZCYDAEKZ-GFCCVEGCSA-N 0 0 329.143 0.813 10 0 ECAERN Nc1n[nH]c(CCC(=O)N2CC[C@@H](Cc3cccc(CO)c3)C2)n1 ZINC000091548643 608718582 /nfs/dbraw/zinc/71/85/82/608718582.db2.gz JFJVQWZTGYJTTB-ZDUSSCGKSA-N 0 0 329.404 0.903 10 0 ECAERN C[C@@H]1CN(CCS(=O)(=O)CCN2C[C@@H](C)O[C@@H](C)C2)C[C@@H](C)O1 ZINC000067386368 608786509 /nfs/dbraw/zinc/78/65/09/608786509.db2.gz KFQJVPKNWKALKV-FPCVCCKLSA-N 0 0 348.509 0.620 10 0 ECAERN O=C(N1CCN(C[C@@H](O)c2ccccc2)CC1)[C@]1(O)CCSC1 ZINC000179751753 608923235 /nfs/dbraw/zinc/92/32/35/608923235.db2.gz HUOJLIVWPYLNOK-WBVHZDCISA-N 0 0 336.457 0.732 10 0 ECAERN COC[C@@]1(C)CC(=O)N(CN2CCO[C@@H](Cn3cc(C)cn3)C2)C1 ZINC000177144571 608924354 /nfs/dbraw/zinc/92/43/54/608924354.db2.gz OVSOCSGDOABBAG-WBVHZDCISA-N 0 0 336.436 0.735 10 0 ECAERN CC1=C(C)C(=O)N(CCC(=O)N2CCCC[C@H]2c2nc[nH]n2)C1=O ZINC000908527355 609655490 /nfs/dbraw/zinc/65/54/90/609655490.db2.gz SAVUPQDXTKLNPR-LBPRGKRZSA-N 0 0 331.376 0.954 10 0 ECAERN O=C(N[C@@H]1C[C@H](O)[C@H]1n1cccn1)[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC000909159308 609679170 /nfs/dbraw/zinc/67/91/70/609679170.db2.gz LMARSUSGIVHYLL-KBXIAJHMSA-N 0 0 332.404 0.322 10 0 ECAERN O=C(Cc1cccc(F)c1)NCC(=O)N[C@@H]1C[C@H](O)[C@@H]1n1cccn1 ZINC000909161581 609682614 /nfs/dbraw/zinc/68/26/14/609682614.db2.gz NGNKJDYZEKYNBO-JKIFEVAISA-N 0 0 346.362 0.172 10 0 ECAERN COc1cccc([C@H](O)C(=O)N2CCO[C@@H](Cn3cccn3)C2)c1 ZINC000163986827 609696313 /nfs/dbraw/zinc/69/63/13/609696313.db2.gz VHGPMUGBXMSQKM-CVEARBPZSA-N 0 0 331.372 0.853 10 0 ECAERN CN(C)C(=O)CCn1c2ccccc2nc(N2CCOCC2)c1=O ZINC000222913548 609705542 /nfs/dbraw/zinc/70/55/42/609705542.db2.gz QENFVJYHWZXWJX-UHFFFAOYSA-N 0 0 330.388 0.711 10 0 ECAERN Cc1nc(CC(=O)NCc2ccc3c(c2)OCO3)c(C)c(=O)n1C ZINC000222932107 609706355 /nfs/dbraw/zinc/70/63/55/609706355.db2.gz LNGRYWSXPHNTGT-UHFFFAOYSA-N 0 0 329.356 0.985 10 0 ECAERN CCCS(=O)(=O)N1CCc2c(c(-c3nc(C)no3)nn2C)C1 ZINC000064566492 609722453 /nfs/dbraw/zinc/72/24/53/609722453.db2.gz BAMIPEUXTZVQCL-UHFFFAOYSA-N 0 0 325.394 0.876 10 0 ECAERN CN1c2ccccc2C2(CCN(C(=O)CCn3cnnn3)CC2)C1=O ZINC000169751802 609745000 /nfs/dbraw/zinc/74/50/00/609745000.db2.gz PSROYWVGJDVEKG-UHFFFAOYSA-N 0 0 340.387 0.600 10 0 ECAERN CCn1ncc(N2CCC[C@@H](CC(=O)N3CCN(C)CC3)C2)cc1=O ZINC000169763309 609745435 /nfs/dbraw/zinc/74/54/35/609745435.db2.gz QVIYGCMMPSPNGZ-HNNXBMFYSA-N 0 0 347.463 0.644 10 0 ECAERN O=c1oc(-c2ccccc2)nn1CN1CC[C@@H](N2CCOCC2)C1 ZINC000172959898 609776679 /nfs/dbraw/zinc/77/66/79/609776679.db2.gz XVDAWUMLCKWEHU-OAHLLOKOSA-N 0 0 330.388 0.867 10 0 ECAERN O=C1CN(c2ccccc2)C(=O)N1CN1CC[C@H](N2CCOCC2)C1 ZINC000172959906 609777315 /nfs/dbraw/zinc/77/73/15/609777315.db2.gz RQCGVMLAMYJDMM-INIZCTEOSA-N 0 0 344.415 0.819 10 0 ECAERN CC(C)[C@]1(C)NC(=O)N(CN2CCO[C@H](Cn3cccn3)C2)C1=O ZINC000152782461 609879541 /nfs/dbraw/zinc/87/95/41/609879541.db2.gz FQFRGBOMLFLUQG-BBRMVZONSA-N 0 0 335.408 0.508 10 0 ECAERN Cc1cc(C)n(C[C@H]2CN(CN3CC(=O)N(C(C)C)C3=O)CCO2)n1 ZINC000152868153 609884626 /nfs/dbraw/zinc/88/46/26/609884626.db2.gz MPQPIQYWNJORKX-OAHLLOKOSA-N 0 0 349.435 0.831 10 0 ECAERN Cc1nnc2n1C[C@H](C(=O)N1NC(=O)CC13CCCCCC3)N(C)C2 ZINC000912268530 609942487 /nfs/dbraw/zinc/94/24/87/609942487.db2.gz OURGUMKDPHJLQA-CYBMUJFWSA-N 0 0 346.435 0.757 10 0 ECAERN CC(C)(C)OC(=O)N1CC([C@H](F)C(=O)N2CCOC[C@H]2CO)C1 ZINC000912417046 609956694 /nfs/dbraw/zinc/95/66/94/609956694.db2.gz PUZUDIMNHNPGNE-NEPJUHHUSA-N 0 0 332.372 0.411 10 0 ECAERN Cc1nn(C)c(C)c1[C@@H]1OCC[C@H]1NC(=O)[C@H]1CN(C)C[C@H](C)O1 ZINC000913086780 610037303 /nfs/dbraw/zinc/03/73/03/610037303.db2.gz LMMQKMFFRVGPAG-DVUFPGTOSA-N 0 0 336.436 0.702 10 0 ECAERN C[C@@H]1CCO[C@@H]1C(=O)N1CCN(C[C@@H]2CCCS2(=O)=O)CC1 ZINC000913124121 610040551 /nfs/dbraw/zinc/04/05/51/610040551.db2.gz WBXMVIBPUJOAPC-RDBSUJKOSA-N 0 0 330.450 0.133 10 0 ECAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCCc1ccnn1C ZINC000185812450 610954739 /nfs/dbraw/zinc/95/47/39/610954739.db2.gz SRUFWPKNKISTQU-CYBMUJFWSA-N 0 0 328.438 0.283 10 0 ECAERN CC(=O)c1ccc(N2CCN(C(=O)[C@H]3CNC(=O)C3)CC2)c(F)c1 ZINC000194861780 612285561 /nfs/dbraw/zinc/28/55/61/612285561.db2.gz GAPJHZFVZGIZDM-CYBMUJFWSA-N 0 0 333.363 0.813 10 0 ECAERN Cn1ccnc1[C@H]1CN([C@@H]2CCN(C3CCOCC3)C2=O)CCN1C ZINC000329893842 741616804 /nfs/dbraw/zinc/61/68/04/741616804.db2.gz BACCJUNBOAYVEX-HZPDHXFCSA-N 0 0 347.463 0.489 10 0 ECAERN CCc1nnc(CN2CCN(C[C@H](O)COc3ccccc3)CC2)[nH]1 ZINC000181693106 529736725 /nfs/dbraw/zinc/73/67/25/529736725.db2.gz GHWPEMXZNRATHJ-HNNXBMFYSA-N 0 0 345.447 0.925 10 0 ECAERN CNC(=O)[C@@H]1CCCN1C(=O)NCC(=O)N1CCc2ccccc21 ZINC000157915735 529902397 /nfs/dbraw/zinc/90/23/97/529902397.db2.gz LLNDVBYUYWLERK-AWEZNQCLSA-N 0 0 330.388 0.496 10 0 ECAERN CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1ccc(-n2cccn2)cc1 ZINC000166834292 529923152 /nfs/dbraw/zinc/92/31/52/529923152.db2.gz XWYDLWLXSVHXNF-CQSZACIVSA-N 0 0 341.371 0.548 10 0 ECAERN O=C(CN1CCCS1(=O)=O)N1CCC(Cn2cccn2)CC1 ZINC000126164545 222662675 /nfs/dbraw/zinc/66/26/75/222662675.db2.gz LOVHOHJOSIZZMG-UHFFFAOYSA-N 0 0 326.422 0.157 10 0 ECAERN C[C@@H]1CN(C(=O)c2cnc(-c3ccncc3)s2)C[C@H](C(N)=O)O1 ZINC000177712125 231965908 /nfs/dbraw/zinc/96/59/08/231965908.db2.gz KNFOMOLZZINZHW-MWLCHTKSSA-N 0 0 332.385 0.920 10 0 ECAERN Cn1ccnc1CN1C(=O)CO[C@H]2CN(C(=O)c3ccccn3)C[C@H]21 ZINC000067897648 215245108 /nfs/dbraw/zinc/24/51/08/215245108.db2.gz RATKAQPJKWAACW-KGLIPLIRSA-N 0 0 341.371 0.067 10 0 ECAERN Cc1ccn(C)c(=O)c1NC(=O)C(=O)N1CCC[C@H]1c1cnn(C)c1 ZINC000179656334 233280349 /nfs/dbraw/zinc/28/03/49/233280349.db2.gz KIZVUMCDIUZYGR-ZDUSSCGKSA-N 0 0 343.387 0.729 10 0 ECAERN Cc1cc(-n2c(C)cc(C(=O)CN3CCOC[C@@H]3C(N)=O)c2C)no1 ZINC000179745168 233393423 /nfs/dbraw/zinc/39/34/23/233393423.db2.gz FENHURSXXWNDSF-CQSZACIVSA-N 0 0 346.387 0.759 10 0 ECAERN C[C@H]1CN(C(=O)C(=O)Nc2cccc(F)c2)C[C@H]1N1CCOCC1 ZINC000180247261 233803680 /nfs/dbraw/zinc/80/36/80/233803680.db2.gz KBPGEBDGAYFMHQ-SWLSCSKDSA-N 0 0 335.379 0.943 10 0 ECAERN O=C(NCCNC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1)c1ccn[nH]1 ZINC000181704899 234292500 /nfs/dbraw/zinc/29/25/00/234292500.db2.gz DZXHJYOGDPRKJD-WBMJQRKESA-N 0 0 335.408 0.476 10 0 ECAERN NC(=O)[C@H]1C[C@@H](O)CN1C(=O)c1ccc(F)cc1Br ZINC000037846170 213170565 /nfs/dbraw/zinc/17/05/65/213170565.db2.gz DRBOXMIQPZQSHO-GMSGAONNSA-N 0 0 331.141 0.649 10 0 ECAERN NC(=O)[C@@H]1COCCN1C(=O)[C@@H](O)Cc1cccc(C(F)(F)F)c1 ZINC000187490455 236225461 /nfs/dbraw/zinc/22/54/61/236225461.db2.gz OXNMSYXAILDXFO-RYUDHWBXSA-N 0 0 346.305 0.322 10 0 ECAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N1CCOC2(CCC2)C1 ZINC000127938446 283443017 /nfs/dbraw/zinc/44/30/17/283443017.db2.gz XJGKRVRFDIGCNY-ZDUSSCGKSA-N 0 0 330.450 0.972 10 0 ECAERN CNC(=O)[C@H]1CN(C(=O)COc2ccccc2)Cc2cn(C)nc21 ZINC000072345643 216159498 /nfs/dbraw/zinc/15/94/98/216159498.db2.gz CDAXXJPAVBABRR-AWEZNQCLSA-N 0 0 328.372 0.671 10 0 ECAERN CCn1cc(C2CCN(S(=O)(=O)[C@@H](C)C(=O)N(C)C)CC2)cn1 ZINC000193937626 240368476 /nfs/dbraw/zinc/36/84/76/240368476.db2.gz FJZYSKLAXQJDLQ-LBPRGKRZSA-N 0 0 342.465 0.889 10 0 ECAERN COCC(=O)NC1CN(S(=O)(=O)Cc2ccc(C)cc2F)C1 ZINC000192884692 239924059 /nfs/dbraw/zinc/92/40/59/239924059.db2.gz JKRWDOYIGLXTIA-UHFFFAOYSA-N 0 0 330.381 0.411 10 0 ECAERN CN(C)C(=O)c1ccc(S(=O)(=O)N[C@@H]2CCc3ncnn3C2)cc1 ZINC000195251596 240892917 /nfs/dbraw/zinc/89/29/17/240892917.db2.gz ZYLAAAYQTKTLCM-GFCCVEGCSA-N 0 0 349.416 0.273 10 0 ECAERN C[C@H](O)CN1CCN(C(=O)Cn2cc(-c3ccccc3)nn2)C[C@@H]1C ZINC000246337569 243233259 /nfs/dbraw/zinc/23/32/59/243233259.db2.gz HSILLLCNPGBERM-GJZGRUSLSA-N 0 0 343.431 0.859 10 0 ECAERN C[N@@H+](CC(=O)[O-])C[C@@H]1CN(C(=O)CCC(=O)c2ccccc2)CCO1 ZINC000262893441 245234524 /nfs/dbraw/zinc/23/45/24/245234524.db2.gz HFZHWNYZGWWKDP-OAHLLOKOSA-N 0 0 348.399 0.893 10 0 ECAERN C[C@H](C(=O)NC[C@H](C)N1CCOCC1)n1nnc(-c2ccccc2)n1 ZINC000079506522 217236604 /nfs/dbraw/zinc/23/66/04/217236604.db2.gz MKEWJRIYAMWXCQ-UONOGXRCSA-N 0 0 344.419 0.738 10 0 ECAERN C[C@@H](CNC(=O)c1ccccc1Cn1cncn1)N1CCOCC1 ZINC000079506476 217237068 /nfs/dbraw/zinc/23/70/68/217237068.db2.gz FKZGDRJHTDLOLE-AWEZNQCLSA-N 0 0 329.404 0.777 10 0 ECAERN Cc1ncc(CN2CCN(C(=O)C3=NN(C)C(=O)CC3)CC2)s1 ZINC000110944985 220082687 /nfs/dbraw/zinc/08/26/87/220082687.db2.gz GKAQZVLCFVATGS-UHFFFAOYSA-N 0 0 335.433 0.704 10 0 ECAERN C[C@@H](NC(=O)c1ccoc1)C(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000111083207 220097452 /nfs/dbraw/zinc/09/74/52/220097452.db2.gz RPNIMRCSINKFDO-OCCSQVGLSA-N 0 0 332.360 0.522 10 0 ECAERN CC(C)n1nnnc1CN(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000111233265 220120482 /nfs/dbraw/zinc/12/04/82/220120482.db2.gz BLGOUYLFOKMMAI-OLZOCXBDSA-N 0 0 343.453 0.422 10 0 ECAERN O=C(Nc1ccn(Cc2ccncc2)n1)C(=O)N1CCC[C@H]1CO ZINC000189924383 284380278 /nfs/dbraw/zinc/38/02/78/284380278.db2.gz XLGYRMLYZWOZKN-ZDUSSCGKSA-N 0 0 329.360 0.248 10 0 ECAERN CC(=O)NCCCNC(=O)N1CCO[C@@H](Cn2nc(C)cc2C)C1 ZINC000111823170 220199355 /nfs/dbraw/zinc/19/93/55/220199355.db2.gz NRAWBIUVAARDCY-OAHLLOKOSA-N 0 0 337.424 0.437 10 0 ECAERN Cc1cnn(C[C@@H]2CN(S(=O)(=O)c3cnn(C)c3)CCO2)c1 ZINC000112094310 220240984 /nfs/dbraw/zinc/24/09/84/220240984.db2.gz CUGLQZRDRKMZBB-GFCCVEGCSA-N 0 0 325.394 0.015 10 0 ECAERN CCc1nc(-c2ccc(C(=O)N3CCOC[C@@H]3C(N)=O)cc2)n[nH]1 ZINC000091809994 218069387 /nfs/dbraw/zinc/06/93/87/218069387.db2.gz WANJPRJXENKQBI-GFCCVEGCSA-N 0 0 329.360 0.360 10 0 ECAERN Cc1cc(C)n(Cc2cccc(C(=O)N3CCOC[C@@H]3C(N)=O)c2)n1 ZINC000091781868 218064883 /nfs/dbraw/zinc/06/48/83/218064883.db2.gz VYJBZRZMWXVMQJ-MRXNPFEDSA-N 0 0 342.399 0.875 10 0 ECAERN Cc1cc(-n2c(C)cc(C(=O)N3CCOC[C@@H]3C(N)=O)c2C)no1 ZINC000091782312 218064996 /nfs/dbraw/zinc/06/49/96/218064996.db2.gz ONSPZJNJFACCHX-CYBMUJFWSA-N 0 0 332.360 0.717 10 0 ECAERN NC(=O)[C@H]1COCCN1C(=O)Cc1ccc(Br)s1 ZINC000091784498 218065881 /nfs/dbraw/zinc/06/58/81/218065881.db2.gz ZWJSWFAKMOMDTG-MRVPVSSYSA-N 0 0 333.207 0.766 10 0 ECAERN O=C(Cc1cnc[nH]1)N1CC[C@]2(C1)CCCN(C1CCOCC1)C2=O ZINC000095354780 218288700 /nfs/dbraw/zinc/28/87/00/218288700.db2.gz DLEMRUILIDYPNR-SFHVURJKSA-N 0 0 346.431 0.972 10 0 ECAERN Cc1cnc(N2Cc3nccn3C[C@H](Cn3ncccc3=O)C2)nc1 ZINC000096067156 218563206 /nfs/dbraw/zinc/56/32/06/218563206.db2.gz MDTOJPHGNNTNJT-AWEZNQCLSA-N 0 0 337.387 0.875 10 0 ECAERN O=C(c1ccc[nH]1)N1CCO[C@]2(C1)COCCN(c1cncnc1)C2 ZINC000096076863 218575888 /nfs/dbraw/zinc/57/58/88/218575888.db2.gz JUTZVWGOCPFIGA-QGZVFWFLSA-N 0 0 343.387 0.553 10 0 ECAERN COc1cc(NC(=O)C(=O)N[C@@H]2CCc3ncnn3C2)ccc1F ZINC000187455671 532968987 /nfs/dbraw/zinc/96/89/87/532968987.db2.gz KJJXKVIIMVCDSU-SNVBAGLBSA-N 0 0 333.323 0.496 10 0 ECAERN COCCOCCNC(=O)N[C@H]1CCc2nnc(C(C)C)n2C1 ZINC000181488169 207700757 /nfs/dbraw/zinc/70/07/57/207700757.db2.gz RRGGSAUNNBZLLE-LBPRGKRZSA-N 0 0 325.413 0.679 10 0 ECAERN COc1cc(OCC(=O)NN2CCOCC2)cc(OC)c1OC ZINC000005720174 210523895 /nfs/dbraw/zinc/52/38/95/210523895.db2.gz WORCRIQDGRMEIT-UHFFFAOYSA-N 0 0 326.349 0.455 10 0 ECAERN C[C@@H](NC(=O)CN(C)S(C)(=O)=O)c1cccc(-n2ccnc2)c1 ZINC000173945228 533070262 /nfs/dbraw/zinc/07/02/62/533070262.db2.gz MPGRBTVIQYPRLM-GFCCVEGCSA-N 0 0 336.417 0.941 10 0 ECAERN O=C(CCCNC(=O)c1ccccc1)N[C@H]1CCc2ncnn2C1 ZINC000112650216 220364491 /nfs/dbraw/zinc/36/44/91/220364491.db2.gz FJAHXYOOOGLJBX-AWEZNQCLSA-N 0 0 327.388 0.919 10 0 ECAERN CC(=O)N[C@H](CC(=O)N[C@@H]1CCc2ncnn2C1)c1ccccc1 ZINC000112653889 220365010 /nfs/dbraw/zinc/36/50/10/220365010.db2.gz FMEHMFIASVQSEK-HUUCEWRRSA-N 0 0 327.388 0.977 10 0 ECAERN C[C@H](CC(=O)N[C@H]1CCc2ncnn2C1)NC(=O)c1ccccc1 ZINC000112663099 220367858 /nfs/dbraw/zinc/36/78/58/220367858.db2.gz ZXXBFBBQZYMOND-OCCSQVGLSA-N 0 0 327.388 0.918 10 0 ECAERN NC(=O)CCN(Cc1ccccc1)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000112741492 220393036 /nfs/dbraw/zinc/39/30/36/220393036.db2.gz DBGZXSCOPUTQKZ-CQSZACIVSA-N 0 0 342.403 0.680 10 0 ECAERN Cn1cnc(S(=O)(=O)N2CCC[C@H](n3cncn3)C2)c1Cl ZINC000114209302 220655289 /nfs/dbraw/zinc/65/52/89/220655289.db2.gz YLAKZQBSQRLHTM-VIFPVBQESA-N 0 0 330.801 0.691 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)N[C@H]1CCN(C(C)C)C1=O)CC2 ZINC000114970215 220796041 /nfs/dbraw/zinc/79/60/41/220796041.db2.gz NVJPUPKJCONCMM-RYUDHWBXSA-N 0 0 334.424 0.464 10 0 ECAERN COCCN1CCN(C(=O)CNC(=O)Cc2ccccc2)C[C@H]1C ZINC000117285140 221044456 /nfs/dbraw/zinc/04/44/56/221044456.db2.gz MQXCVSYFDGUDIO-OAHLLOKOSA-N 0 0 333.432 0.524 10 0 ECAERN CC[C@@H]1CN(C(=O)c2ccnc(-n3cncn3)c2)CCN1CCOC ZINC000117299271 221049247 /nfs/dbraw/zinc/04/92/47/221049247.db2.gz QDCOMLOMNIOUNX-OAHLLOKOSA-N 0 0 344.419 0.845 10 0 ECAERN COCCN1CCN(C(=O)C(=O)Nc2ccc(N(C)C)cc2)C[C@H]1C ZINC000117522671 221074225 /nfs/dbraw/zinc/07/42/25/221074225.db2.gz DAAHAGSYTFBVHF-CQSZACIVSA-N 0 0 348.447 0.870 10 0 ECAERN CN1CCO[C@H](CNC(=O)C(=O)Nc2ccc(Cl)c(F)c2)C1 ZINC000118115937 221120920 /nfs/dbraw/zinc/12/09/20/221120920.db2.gz LTNHWDFWLRCLEU-SNVBAGLBSA-N 0 0 329.759 0.864 10 0 ECAERN CN1CCO[C@@H](CNC(=O)C(=O)Nc2ccc3ncsc3c2)C1 ZINC000118115688 221122166 /nfs/dbraw/zinc/12/21/66/221122166.db2.gz ZBEDDPZAUIJWHH-NSHDSACASA-N 0 0 334.401 0.682 10 0 ECAERN Cc1nnnn1[C@@H](Cc1ccccc1)C(=O)NC[C@@H]1CN(C)CCO1 ZINC000118323365 221139941 /nfs/dbraw/zinc/13/99/41/221139941.db2.gz RFXXKHFMWLFGNI-CVEARBPZSA-N 0 0 344.419 0.212 10 0 ECAERN Cn1ccnc1C[C@H]1CCCN(C(=O)CCSc2nnnn2C)C1 ZINC000119557949 221346816 /nfs/dbraw/zinc/34/68/16/221346816.db2.gz SBDLJWALACNLET-GFCCVEGCSA-N 0 0 349.464 0.907 10 0 ECAERN COCCCN(Cc1c(C)nn(C)c1OC)[C@H]1CCS(=O)(=O)C1 ZINC000120163382 221499272 /nfs/dbraw/zinc/49/92/72/221499272.db2.gz ZTVLKIRHZJGAFE-ZDUSSCGKSA-N 0 0 345.465 0.763 10 0 ECAERN O=C([C@@H]1CCCO1)N1CCO[C@@]2(CCCN(c3cnccn3)C2)C1 ZINC000247804413 257679358 /nfs/dbraw/zinc/67/93/58/257679358.db2.gz XZDMBKFWTQSANV-WMLDXEAASA-N 0 0 332.404 0.853 10 0 ECAERN C[C@@H](O)CNS(=O)(=O)C[C@@H]1CCCN(C(=O)c2cccs2)C1 ZINC000521396717 257946592 /nfs/dbraw/zinc/94/65/92/257946592.db2.gz WAYLZOSEELZMNA-VXGBXAGGSA-N 0 0 346.474 0.901 10 0 ECAERN O=C(NC1CC1)c1noc([C@@H]2CCCN2c2ncnc3n[nH]cc32)n1 ZINC000328627502 258031670 /nfs/dbraw/zinc/03/16/70/258031670.db2.gz MUKBDZCEWVQBFF-JTQLQIEISA-N 0 0 340.347 0.970 10 0 ECAERN COCCn1ccc(C(=O)N[C@H]2CCCN(c3cccnn3)C2)n1 ZINC000189823892 533338972 /nfs/dbraw/zinc/33/89/72/533338972.db2.gz OEWIRYMUUJYINE-ZDUSSCGKSA-N 0 0 330.392 0.718 10 0 ECAERN COc1c(CNc2cccc(C(=O)NCCC(N)=O)c2)c(C)nn1C ZINC000130224073 533420363 /nfs/dbraw/zinc/42/03/63/533420363.db2.gz XEUBMDJDMUZWGY-UHFFFAOYSA-N 0 0 345.403 0.954 10 0 ECAERN O=C(Nc1ccn(CCc2ccncc2)n1)C(=O)N1CCC[C@@H]1CO ZINC000121210206 296647223 /nfs/dbraw/zinc/64/72/23/296647223.db2.gz XBGTYNCCCRDXHX-CQSZACIVSA-N 0 0 343.387 0.443 10 0 ECAERN Cc1nc(CN2CCCN(C(=O)CNC(=O)C(C)(C)C)CC2)no1 ZINC000171864281 164836206 /nfs/dbraw/zinc/83/62/06/164836206.db2.gz SFCJMZYBQBFFES-UHFFFAOYSA-N 0 0 337.424 0.575 10 0 ECAERN C[C@H](COCc1ccccc1)NC(=O)c1cn(CC(=O)N(C)C)nn1 ZINC000172971343 164850089 /nfs/dbraw/zinc/85/00/89/164850089.db2.gz GNWCMMPMZPLJGS-CYBMUJFWSA-N 0 0 345.403 0.701 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)C(=O)Nc1ccccc1OC)CC2 ZINC000177642940 164907713 /nfs/dbraw/zinc/90/77/13/164907713.db2.gz MQCCYTZIKKSZMH-LLVKDONJSA-N 0 0 343.387 0.919 10 0 ECAERN CC(C)(CNC(=O)N1CC(NC(=O)C2CCC2)C1)N1CCOCC1 ZINC000188772338 165002347 /nfs/dbraw/zinc/00/23/47/165002347.db2.gz XMCFTKLKTSTCPI-UHFFFAOYSA-N 0 0 338.452 0.407 10 0 ECAERN CC(=O)N(CCc1ccccc1)CC(=O)N1CCCNC(=O)[C@H]1C ZINC000188916815 165003322 /nfs/dbraw/zinc/00/33/22/165003322.db2.gz QCUVWRSYIOZISJ-CQSZACIVSA-N 0 0 331.416 0.815 10 0 ECAERN C[C@H]1C(=O)NCCCN1C(=O)CCNC(=O)c1[nH]nc2ccccc21 ZINC000188856243 165003492 /nfs/dbraw/zinc/00/34/92/165003492.db2.gz GAFXDXYWGXDXPE-NSHDSACASA-N 0 0 343.387 0.420 10 0 ECAERN Cc1ccc(C(=O)NCC(=O)N2CC(NC(=O)C3CC3)C2)cc1C ZINC000189495080 165011518 /nfs/dbraw/zinc/01/15/18/165011518.db2.gz MHFJUXJJZKYZRW-UHFFFAOYSA-N 0 0 329.400 0.770 10 0 ECAERN O=C(NCCNC(=O)N1CC(NC(=O)C2CC2)C1)c1ccccc1F ZINC000190390489 165020928 /nfs/dbraw/zinc/02/09/28/165020928.db2.gz QSGDJAUXAVJWPR-UHFFFAOYSA-N 0 0 348.378 0.476 10 0 ECAERN C[C@@H]1C(=O)NCCCN1C(=O)C(=O)Nc1cnc2ccccc2c1 ZINC000190668310 165023989 /nfs/dbraw/zinc/02/39/89/165023989.db2.gz IDERUWMILJDLMF-LLVKDONJSA-N 0 0 326.356 0.910 10 0 ECAERN CCCCN1CCOC[C@@H]1C(=O)NCCc1nnc2n1CCCC2 ZINC000190646963 165024287 /nfs/dbraw/zinc/02/42/87/165024287.db2.gz JMXOQLXATGVDCI-CQSZACIVSA-N 0 0 335.452 0.774 10 0 ECAERN C[C@@H]1C(=O)NCCCN1C(=O)C(=O)Nc1cccc2cnccc21 ZINC000190677964 165024333 /nfs/dbraw/zinc/02/43/33/165024333.db2.gz DNDMLHOAFFXHLZ-LLVKDONJSA-N 0 0 326.356 0.910 10 0 ECAERN C[C@H]1C(=O)NCCCN1C(=O)NCC(=O)N(C)Cc1ccccc1 ZINC000191243725 165031482 /nfs/dbraw/zinc/03/14/82/165031482.db2.gz STKMUSOSHGZNCI-ZDUSSCGKSA-N 0 0 332.404 0.565 10 0 ECAERN CC(=O)[C@@H]1CC(C(=O)N2CCCNC(=O)[C@@H]2C)=NN1c1ccccc1 ZINC000191769263 165037520 /nfs/dbraw/zinc/03/75/20/165037520.db2.gz CPXQIMJDAGDIMW-LRDDRELGSA-N 0 0 342.399 0.947 10 0 ECAERN Cc1ccc(C(=O)NC[C@@H]2CN(C)CCO2)cc1S(C)(=O)=O ZINC000194608907 165068785 /nfs/dbraw/zinc/06/87/85/165068785.db2.gz WXEXTHAUHHPNDE-CYBMUJFWSA-N 0 0 326.418 0.459 10 0 ECAERN CN1CCO[C@H](CNC(=O)c2ccc(CN3CCCC3=O)cc2)C1 ZINC000194629090 165069266 /nfs/dbraw/zinc/06/92/66/165069266.db2.gz SIDKZBCPCLOFCF-MRXNPFEDSA-N 0 0 331.416 0.869 10 0 ECAERN CNS(=O)(=O)c1ccc(C(=O)N2CCN3CCCC[C@@H]3C2)cc1 ZINC000195085419 165073893 /nfs/dbraw/zinc/07/38/93/165073893.db2.gz FQGLEWXGZROGLH-CQSZACIVSA-N 0 0 337.445 0.905 10 0 ECAERN CC(C)n1nnnc1CS(=O)(=O)CC(=O)N1CCCC[C@@H]1C ZINC000195427649 165081920 /nfs/dbraw/zinc/08/19/20/165081920.db2.gz SJNMUIVRTYKIKQ-NSHDSACASA-N 0 0 329.426 0.570 10 0 ECAERN O[C@H](CN1CCOCC1)CN1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000195512926 165084908 /nfs/dbraw/zinc/08/49/08/165084908.db2.gz MTPWGZGAINDOHH-CVEARBPZSA-N 0 0 349.479 0.835 10 0 ECAERN CC(=O)N1CCN(C(=O)CN2CCC[C@H](Cc3noc(C)n3)C2)CC1 ZINC000195517971 165085183 /nfs/dbraw/zinc/08/51/83/165085183.db2.gz IZLHWGVKZMNDQA-OAHLLOKOSA-N 0 0 349.435 0.323 10 0 ECAERN CCN1CCO[C@@H](C(=O)N[C@H]2CCCN(c3cc(C)nn3C)C2=O)C1 ZINC000245421451 165104028 /nfs/dbraw/zinc/10/40/28/165104028.db2.gz HYXMHNQUQVZVBA-UONOGXRCSA-N 0 0 349.435 0.061 10 0 ECAERN CN1CCO[C@H](CN[C@@H](C(N)=O)c2ccc(Br)cc2)C1 ZINC000246529013 165138465 /nfs/dbraw/zinc/13/84/65/165138465.db2.gz GJVBUFXHRICKMV-CHWSQXEVSA-N 0 0 342.237 0.896 10 0 ECAERN COc1cccc([C@H](O)C(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)c1 ZINC000246605549 165140353 /nfs/dbraw/zinc/14/03/53/165140353.db2.gz GYKPDXJXBZQPGH-COXVUDFISA-N 0 0 334.416 0.908 10 0 ECAERN C[C@H](C(=O)N(C)CC(=O)NC1CC1)N1CC[C@@H](Oc2cccnc2)C1 ZINC000246781094 165143348 /nfs/dbraw/zinc/14/33/48/165143348.db2.gz QUYUFCBAYXFNFV-CZUORRHYSA-N 0 0 346.431 0.660 10 0 ECAERN Cc1nnc([C@H]2CN(S(=O)(=O)N3CCC[C@@H](C)C3)CCO2)[nH]1 ZINC000246931014 165147672 /nfs/dbraw/zinc/14/76/72/165147672.db2.gz JLGFCKDCPCZLSF-ZYHUDNBSSA-N 0 0 329.426 0.463 10 0 ECAERN CCOCCN1CCN(C(=O)[C@H](C)NC(=O)c2ccoc2)C[C@@H]1C ZINC000246940052 165148063 /nfs/dbraw/zinc/14/80/63/165148063.db2.gz CHHQUXABHQFJOY-KBPBESRZSA-N 0 0 337.420 0.967 10 0 ECAERN CCOCCN1CCN([C@H]2CCN(c3cnn(C)c3)C2=O)C[C@H]1C ZINC000247487738 165162384 /nfs/dbraw/zinc/16/23/84/165162384.db2.gz GLPAUMYSCAMEAH-ZBFHGGJFSA-N 0 0 335.452 0.568 10 0 ECAERN C[C@@H](c1nc(N)nc(N(C)C)n1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000247767984 165168053 /nfs/dbraw/zinc/16/80/53/165168053.db2.gz OJJHFPZCWKBSOK-NWDGAFQWSA-N 0 0 332.412 0.178 10 0 ECAERN O=C(C[C@@H]1COCCN1C[C@@H](O)CN1CCCC1=O)c1ccccc1 ZINC000248694175 165183802 /nfs/dbraw/zinc/18/38/02/165183802.db2.gz JIDBYPQWZXOQSV-IAGOWNOFSA-N 0 0 346.427 0.944 10 0 ECAERN CCn1cc([C@@H]2CN(S(=O)(=O)[C@@H]3CCO[C@H]3C)CCO2)cn1 ZINC000248867003 165188717 /nfs/dbraw/zinc/18/87/17/165188717.db2.gz BCJGUOGCBYQEFL-FPMFFAJLSA-N 0 0 329.422 0.784 10 0 ECAERN C[C@H](NC(=O)CN1C[C@H](CO)[C@@H](c2ccsc2)C1)C(=O)N(C)C ZINC000249556884 165199593 /nfs/dbraw/zinc/19/95/93/165199593.db2.gz KCBKJESENDOBEC-IACUBPJLSA-N 0 0 339.461 0.349 10 0 ECAERN C[C@H]1OCCN[C@@H]1C(=O)N1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC000261942261 165267128 /nfs/dbraw/zinc/26/71/28/165267128.db2.gz MYBUQDAJMVIRPM-MCIONIFRSA-N 0 0 325.453 0.764 10 0 ECAERN COc1cc(C(=O)N2CCN(Cc3noc(CN)n3)CC2)ccc1C ZINC000262151841 165300745 /nfs/dbraw/zinc/30/07/45/165300745.db2.gz FYUBQRDXNSDGTC-UHFFFAOYSA-N 0 0 345.403 0.803 10 0 ECAERN CCOC(=O)c1cc(NC(=O)[C@@H](N)COC)cc(S(C)(=O)=O)c1 ZINC000262618002 165368838 /nfs/dbraw/zinc/36/88/38/165368838.db2.gz ZGVAAEWKPGZHCT-LBPRGKRZSA-N 0 0 344.389 0.179 10 0 ECAERN C[N@@H+](CC(=O)[O-])C[C@H]1CN(C(=O)c2cc(-c3ccco3)on2)CCO1 ZINC000262734648 165379369 /nfs/dbraw/zinc/37/93/69/165379369.db2.gz BKKCPVZCNOPUTJ-NSHDSACASA-N 0 0 349.343 0.792 10 0 ECAERN CCS(=O)(=O)N1CC(CNc2ccc(-n3ccc(C)n3)nn2)C1 ZINC000302532146 296898768 /nfs/dbraw/zinc/89/87/68/296898768.db2.gz FPVAHURFEVTXTQ-UHFFFAOYSA-N 0 0 336.421 0.664 10 0 ECAERN O=S(=O)(CC[C@@H]1CCCO1)N1CCC[C@@H](Cn2cncn2)C1 ZINC000180975459 545884408 /nfs/dbraw/zinc/88/44/08/545884408.db2.gz NNMQCAMXXRFUDD-KBPBESRZSA-N 0 0 328.438 0.889 10 0 ECAERN C[C@@H]1CN(S(=O)(=O)N2CCC(c3cc[nH]n3)CC2)C[C@@H](C)O1 ZINC000122480984 222096353 /nfs/dbraw/zinc/09/63/53/222096353.db2.gz XPDOEGJWWMPLEF-VXGBXAGGSA-N 0 0 328.438 0.943 10 0 ECAERN O=C(Cn1nnc(-c2ccccc2)n1)N1CCC[C@H](n2cncn2)C1 ZINC000171662521 227203223 /nfs/dbraw/zinc/20/32/23/227203223.db2.gz HCRQPINYWIIYQN-AWEZNQCLSA-N 0 0 338.375 0.795 10 0 ECAERN Cc1ccc([C@H](C)NC(=O)C(=O)Nc2cnn(CC(N)=O)c2)cc1F ZINC000088826279 263145175 /nfs/dbraw/zinc/14/51/75/263145175.db2.gz HGWPYIBRXVFRFF-JTQLQIEISA-N 0 0 347.350 0.632 10 0 ECAERN CNC(=O)[C@H](NC(=O)CNC(=O)c1ccc(F)c(F)c1)C(C)C ZINC000179127026 263155458 /nfs/dbraw/zinc/15/54/58/263155458.db2.gz OMOOITPDHXBWFY-CYBMUJFWSA-N 0 0 327.331 0.581 10 0 ECAERN CCOCCCNC(=O)[C@@H](C)N1CCCN(c2cccnn2)CC1 ZINC000105799481 276316395 /nfs/dbraw/zinc/31/63/95/276316395.db2.gz JWCBUPGZXVBRRF-OAHLLOKOSA-N 0 0 335.452 0.920 10 0 ECAERN CC1(C)C[C@@H](NC(=O)c2cn(CC(N)=O)nn2)c2ccccc2O1 ZINC000121510556 278368471 /nfs/dbraw/zinc/36/84/71/278368471.db2.gz CXLCRSZFYRJTNB-LLVKDONJSA-N 0 0 329.360 0.796 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)C(=O)Nc2cccc(C)c2F)CC1 ZINC000189479187 437601593 /nfs/dbraw/zinc/60/15/93/437601593.db2.gz DUKHDDSHDGZAIY-ZDUSSCGKSA-N 0 0 337.395 0.988 10 0 ECAERN Cc1nn(C)c(C)c1-c1cc(C(=O)N2CC(NC(=O)C3CC3)C2)[nH]n1 ZINC000189501409 437603598 /nfs/dbraw/zinc/60/35/98/437603598.db2.gz VNAXNXZPNNMYAS-UHFFFAOYSA-N 0 0 342.403 0.778 10 0 ECAERN CC(C)CC(=O)N[C@@H](C(=O)N1CCN(C[C@H](C)O)CC1)C(C)C ZINC000189709726 437608009 /nfs/dbraw/zinc/60/80/09/437608009.db2.gz ULDNQNLCDWDYMM-GOEBONIOSA-N 0 0 327.469 0.698 10 0 ECAERN CC(C)c1nnc2n1C[C@H](NC(=O)N1C[C@@H](C)O[C@H](CO)C1)CC2 ZINC000190203046 437621373 /nfs/dbraw/zinc/62/13/73/437621373.db2.gz NWUJVKFJUTVUGB-UPJWGTAASA-N 0 0 337.424 0.508 10 0 ECAERN CN(CC(N)=O)C[C@@H]1CN(C(=O)c2csc3cncn32)CCO1 ZINC000333004105 297099299 /nfs/dbraw/zinc/09/92/99/297099299.db2.gz DKDGJLHKAYFEEC-SNVBAGLBSA-N 0 0 337.405 0.704 10 0 ECAERN CCn1cncc1S(=O)(=O)N1CCN(Cc2ccon2)CC1 ZINC000333060107 297105438 /nfs/dbraw/zinc/10/54/38/297105438.db2.gz SFFAAOVRSWNQJQ-UHFFFAOYSA-N 0 0 325.394 0.398 10 0 ECAERN O=C(N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1)[C@@H]1CCCCS1(=O)=O ZINC000333102152 297110024 /nfs/dbraw/zinc/11/00/24/297110024.db2.gz VKUXGKFEAQLACW-RDBSUJKOSA-N 0 0 342.461 0.861 10 0 ECAERN O=C(N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1)c1cnc2n[nH]nc2c1 ZINC000333190892 297117259 /nfs/dbraw/zinc/11/72/59/297117259.db2.gz VUXDBLZUBRADJB-PWSUYJOCSA-N 0 0 328.376 0.874 10 0 ECAERN COCc1ccccc1CS(=O)(=O)N[C@H]1CCC(=O)N[C@@H]1C ZINC000344830632 298073116 /nfs/dbraw/zinc/07/31/16/298073116.db2.gz VBTAIXKCYVQPGP-RISCZKNCSA-N 0 0 326.418 0.920 10 0 ECAERN CO[C@H]1C[C@@H](C(N)=O)N(C(=O)c2ncccc2Br)C1 ZINC000345072062 298114486 /nfs/dbraw/zinc/11/44/86/298114486.db2.gz LIUOMBAATNOYBQ-CBAPKCEASA-N 0 0 328.166 0.559 10 0 ECAERN COC(=O)[C@H]1CSCN1C(=O)CCn1cnc2ccccc2c1=O ZINC000002323707 435964004 /nfs/dbraw/zinc/96/40/04/435964004.db2.gz KDEMNYHHMRJWPT-CYBMUJFWSA-N 0 0 347.396 0.861 10 0 ECAERN CCOC(=O)/C=C/C(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000006594614 435999324 /nfs/dbraw/zinc/99/93/24/435999324.db2.gz BVKWGSGEDCUEJX-MDZDMXLPSA-N 0 0 326.374 0.995 10 0 ECAERN C[C@@H](NS(C)(=O)=O)C(=O)N[C@H](C)c1cccc(-n2ccnc2)c1 ZINC000075262991 436158816 /nfs/dbraw/zinc/15/88/16/436158816.db2.gz JOVFMQVRRPGZFX-VXGBXAGGSA-N 0 0 336.417 0.987 10 0 ECAERN CN(C)C(=O)CCNS(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C ZINC000075790651 436177012 /nfs/dbraw/zinc/17/70/12/436177012.db2.gz GJMSPJZHESICQB-NHYWBVRUSA-N 0 0 330.450 0.780 10 0 ECAERN O=C1CC[C@H](NS(=O)(=O)c2cccnc2)[C@@H]([C@H]2CCCO2)N1 ZINC000377856853 301383740 /nfs/dbraw/zinc/38/37/40/301383740.db2.gz QCWNFOMWKHGCJL-SCRDCRAPSA-N 0 0 325.390 0.186 10 0 ECAERN CCn1c(N)nc2cc(C(=O)N3CCN(CCOC)CC3)cnc21 ZINC000077288094 436231702 /nfs/dbraw/zinc/23/17/02/436231702.db2.gz IOWMGEPZXQVCNW-UHFFFAOYSA-N 0 0 332.408 0.438 10 0 ECAERN CCCNC(=O)CN1CCC(NC(=O)N[C@@H](C)[C@H]2CCCO2)CC1 ZINC000041171933 436270429 /nfs/dbraw/zinc/27/04/29/436270429.db2.gz YBLXUFPFBQCZMV-DZGCQCFKSA-N 0 0 340.468 0.844 10 0 ECAERN NC(=O)[C@@H]1COCCN1C(=O)Cc1csc(-c2ccccn2)n1 ZINC000091785710 436460811 /nfs/dbraw/zinc/46/08/11/436460811.db2.gz JFAPJJURDRURLI-LBPRGKRZSA-N 0 0 332.385 0.460 10 0 ECAERN CC(C)(C)OC[C@H](O)CN1CCN(CC(=O)N2CCCCC2)CC1 ZINC000052915267 436519615 /nfs/dbraw/zinc/51/96/15/436519615.db2.gz RDHFLUZPBDCYMK-MRXNPFEDSA-N 0 0 341.496 0.793 10 0 ECAERN CCC[C@@H]1C[N@H+](Cc2cc(=O)n3nc(C)[n-]c3n2)C[C@H]1NC(C)=O ZINC000095513150 436497168 /nfs/dbraw/zinc/49/71/68/436497168.db2.gz UMIZIDHHLXIHIM-TZMCWYRMSA-N 0 0 332.408 0.875 10 0 ECAERN CCNC(=O)NC(=O)[C@H](C)N1CCCN(c2ccc(C)nn2)CC1 ZINC000105800678 436577668 /nfs/dbraw/zinc/57/76/68/436577668.db2.gz IORCXRVNGGEGON-ZDUSSCGKSA-N 0 0 334.424 0.531 10 0 ECAERN COCCc1noc(COC2CCN(C(=O)[C@H]3CCCO3)CC2)n1 ZINC000097942493 436543180 /nfs/dbraw/zinc/54/31/80/436543180.db2.gz MANUTNLNGJJVHA-CYBMUJFWSA-N 0 0 339.392 0.945 10 0 ECAERN CN1CCO[C@@H](CNC(=O)N2CCN(c3ccccc3F)CC2)C1 ZINC000104799706 436564493 /nfs/dbraw/zinc/56/44/93/436564493.db2.gz LWBFVCOIONEBKN-AWEZNQCLSA-N 0 0 336.411 0.988 10 0 ECAERN CCN1C[C@H](C(=O)N2CCC(N(C)c3cccnn3)CC2)CC1=O ZINC000105816278 436580515 /nfs/dbraw/zinc/58/05/15/436580515.db2.gz ZBSLWKSREZZFJJ-CYBMUJFWSA-N 0 0 331.420 0.772 10 0 ECAERN CNC(=O)NC(=O)CN1CCN(Cc2cnn(C(C)(C)C)c2)CC1 ZINC000105866038 436582555 /nfs/dbraw/zinc/58/25/55/436582555.db2.gz KDLNTTNVXWSHJV-UHFFFAOYSA-N 0 0 336.440 0.211 10 0 ECAERN COc1ccc([C@@H](C)NS(=O)(=O)N2CCOCC2)cc1OC ZINC000056093390 436587022 /nfs/dbraw/zinc/58/70/22/436587022.db2.gz IVFDCVLFVVKTQS-LLVKDONJSA-N 0 0 330.406 0.931 10 0 ECAERN CN1CCO[C@@H](CNC(=O)CCCc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000106758864 436601611 /nfs/dbraw/zinc/60/16/11/436601611.db2.gz ABWZZXDBFFFIML-ZDUSSCGKSA-N 0 0 332.404 0.626 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)NCC(=O)NC1CCCCC1)CC2 ZINC000114948153 436645184 /nfs/dbraw/zinc/64/51/84/436645184.db2.gz YUQLYKYLCHZVCT-CYBMUJFWSA-N 0 0 348.451 0.903 10 0 ECAERN CCOCCN1CCN(C(=O)CCCS(C)(=O)=O)C[C@H]1CC ZINC000116769185 436651107 /nfs/dbraw/zinc/65/11/07/436651107.db2.gz JUPAQONGSWCDDL-CQSZACIVSA-N 0 0 334.482 0.771 10 0 ECAERN CC(C)OCCCNC(=O)C1CCN(c2cnn(C)c(=O)c2)CC1 ZINC000065311267 436653930 /nfs/dbraw/zinc/65/39/30/436653930.db2.gz KFLYUPGGBRVHSW-UHFFFAOYSA-N 0 0 336.436 0.928 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)Nc2ccc(C(N)=O)c(F)c2)CC1 ZINC000120471840 436687270 /nfs/dbraw/zinc/68/72/70/436687270.db2.gz YPFFIFLVCMYOJV-LBPRGKRZSA-N 0 0 338.383 0.845 10 0 ECAERN Cc1ccc(NC(=O)C(=O)N2CCO[C@H](Cn3cccn3)C2)cn1 ZINC000120611330 436693376 /nfs/dbraw/zinc/69/33/76/436693376.db2.gz HKMVCPVXIRCAFN-AWEZNQCLSA-N 0 0 329.360 0.453 10 0 ECAERN Cc1cc(C)n(-c2ccc(NC(=O)C(=O)N3CCC[C@H]3CO)cn2)n1 ZINC000120974566 436702767 /nfs/dbraw/zinc/70/27/67/436702767.db2.gz FRPSWAXSILXNMQ-AWEZNQCLSA-N 0 0 343.387 0.806 10 0 ECAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)CCC(=O)N1CCOCC1 ZINC000151589970 436705948 /nfs/dbraw/zinc/70/59/48/436705948.db2.gz WFNACDNTVNADDQ-LBPRGKRZSA-N 0 0 335.408 0.431 10 0 ECAERN Cc1cc(C(=O)N[C@@H]2C[C@H](COc3cccc(C)n3)[C@@H](O)[C@H]2O)no1 ZINC000225506149 436712327 /nfs/dbraw/zinc/71/23/27/436712327.db2.gz HOSPHQNLDWEYEY-BHTHQVBYSA-N 0 0 347.371 0.606 10 0 ECAERN CCc1nnc([C@@H]2CN(C(=O)CCC(=O)N(CC)CC)CCO2)[nH]1 ZINC000121314865 436712378 /nfs/dbraw/zinc/71/23/78/436712378.db2.gz JKUBGIRTDFAEFN-LBPRGKRZSA-N 0 0 337.424 0.916 10 0 ECAERN CNC(=O)Cn1cc(NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)cn1 ZINC000194360030 436664142 /nfs/dbraw/zinc/66/41/42/436664142.db2.gz UDEWRGXIVSFPJF-HNNXBMFYSA-N 0 0 337.424 0.755 10 0 ECAERN CC(=O)NC1CN(C(=O)C(=O)Nc2ccc(Br)cn2)C1 ZINC000194378886 436664637 /nfs/dbraw/zinc/66/46/37/436664637.db2.gz DGWQOYAGQKFNMI-UHFFFAOYSA-N 0 0 341.165 0.130 10 0 ECAERN COC(=O)[C@@H](NC[C@H](O)CN1C(=O)c2ccccc2C1=O)C(C)C ZINC000142565442 436673996 /nfs/dbraw/zinc/67/39/96/436673996.db2.gz GGFQNPHJCLWBCI-FZMZJTMJSA-N 0 0 334.372 0.431 10 0 ECAERN CCc1noc([C@@H](C)N2CCN(S(=O)(=O)C[C@@H](C)OC)CC2)n1 ZINC000195247423 436683491 /nfs/dbraw/zinc/68/34/91/436683491.db2.gz UNSFXIYJKQOUQY-VXGBXAGGSA-N 0 0 346.453 0.675 10 0 ECAERN CO[C@H](C)CS(=O)(=O)N1CCO[C@@H](Cn2nc(C)cc2C)C1 ZINC000195240763 436684561 /nfs/dbraw/zinc/68/45/61/436684561.db2.gz FVWHUXQEOMZGFJ-ZIAGYGMSSA-N 0 0 331.438 0.565 10 0 ECAERN CO[C@H](C)CS(=O)(=O)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000195285987 436685165 /nfs/dbraw/zinc/68/51/65/436685165.db2.gz LLUSHGUGKGORBY-ZBFHGGJFSA-N 0 0 342.461 0.702 10 0 ECAERN CCN(CC)S(=O)(=O)CC(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000121777265 436725069 /nfs/dbraw/zinc/72/50/69/436725069.db2.gz RWBSTROAPLZWLY-DZGCQCFKSA-N 0 0 332.466 0.812 10 0 ECAERN O=C(CN1CC[C@H](Oc2cccnc2)C1)NC(=O)NCC(F)(F)F ZINC000152455555 436731024 /nfs/dbraw/zinc/73/10/24/436731024.db2.gz JVJVYWUFBCDULQ-NSHDSACASA-N 0 0 346.309 0.923 10 0 ECAERN CCOCCN1CCN(C(=O)CNC(=O)c2cccnc2)C[C@H]1C ZINC000152471320 436731518 /nfs/dbraw/zinc/73/15/18/436731518.db2.gz HCZPZPGOEYNLES-CQSZACIVSA-N 0 0 334.420 0.381 10 0 ECAERN CC(C)(C)S(=O)(=O)CC(=O)N1CCC[C@H](Cn2cncn2)C1 ZINC000153420975 436757076 /nfs/dbraw/zinc/75/70/76/436757076.db2.gz IJNJLJIAPPQCFD-LBPRGKRZSA-N 0 0 328.438 0.730 10 0 ECAERN Cc1nnc([C@H]2CN(S(=O)(=O)c3cn(C(C)C)cn3)CCO2)[nH]1 ZINC000153635500 436760187 /nfs/dbraw/zinc/76/01/87/436760187.db2.gz ZMXAVQMQXZYIBI-LLVKDONJSA-N 0 0 340.409 0.653 10 0 ECAERN COC(=O)[C@@H]1CCC[C@H](C(=O)N2CCN(C[C@@H](C)O)[C@H](C)C2)C1 ZINC000245414646 436763017 /nfs/dbraw/zinc/76/30/17/436763017.db2.gz CMMNGQOLMHNFRH-APIJFGDWSA-N 0 0 326.437 0.879 10 0 ECAERN CNC(=O)[C@H]1CCCN1C(=O)NCC(=O)N(C)Cc1ccccc1 ZINC000156425497 436816676 /nfs/dbraw/zinc/81/66/76/436816676.db2.gz GFGACYRQEMOGHR-CQSZACIVSA-N 0 0 332.404 0.565 10 0 ECAERN Cc1cc(N2CCN([C@@H](C)C(N)=O)CC2)nc(-c2cccnc2)n1 ZINC000128694907 436819758 /nfs/dbraw/zinc/81/97/58/436819758.db2.gz KJSKTHVLYBYIAV-ZDUSSCGKSA-N 0 0 326.404 0.843 10 0 ECAERN C[C@@H](O)CCN(C)C(=O)[C@H]1CCC[C@H]1C(=O)N(C)CC[C@H](C)O ZINC000154002617 436769673 /nfs/dbraw/zinc/76/96/73/436769673.db2.gz IUEMZILTGMNTFG-PYHGIMPFSA-N 0 0 328.453 0.861 10 0 ECAERN CNC(=O)[C@H](NC(=O)NCC(C)(C)N1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000246274262 436775302 /nfs/dbraw/zinc/77/53/02/436775302.db2.gz ZGOXPICIJFWSAP-HZSPNIEDSA-N 0 0 342.484 0.944 10 0 ECAERN CCc1nccn1[C@H]1CCCN(C(=O)C(=O)Nc2ccnn2C)C1 ZINC000154559319 436780902 /nfs/dbraw/zinc/78/09/02/436780902.db2.gz ZITLDQQOCBDWKN-LBPRGKRZSA-N 0 0 330.392 0.981 10 0 ECAERN CC[C@H]1CN(C(=O)CS(=O)(=O)CC(C)C)CCN1C[C@H](C)O ZINC000246673059 436783481 /nfs/dbraw/zinc/78/34/81/436783481.db2.gz AKOSNSWHIDGHQL-KBPBESRZSA-N 0 0 334.482 0.361 10 0 ECAERN C[C@@H](NC(=O)c1ccco1)C(=O)N1CCC[C@H](Cn2ccnn2)C1 ZINC000126284732 436784442 /nfs/dbraw/zinc/78/44/42/436784442.db2.gz TYNBMJLNDKHSNW-OLZOCXBDSA-N 0 0 331.376 0.928 10 0 ECAERN C[C@@H](NC(=O)c1ccoc1)C(=O)N1CCC[C@@H](Cn2cncn2)C1 ZINC000126811233 436793604 /nfs/dbraw/zinc/79/36/04/436793604.db2.gz WKWYISLNRZJMRQ-CHWSQXEVSA-N 0 0 331.376 0.928 10 0 ECAERN O=C(Cn1c(=O)[nH]c2ccccc21)N1CCC[C@@H](Cn2cncn2)C1 ZINC000127119354 436797608 /nfs/dbraw/zinc/79/76/08/436797608.db2.gz HCELPHWQXGYDLO-CYBMUJFWSA-N 0 0 340.387 0.860 10 0 ECAERN Cc1cc(N2CCN(C(=O)C[C@H](O)C(C)C)CC2)n2ncnc2n1 ZINC000155576416 436797859 /nfs/dbraw/zinc/79/78/59/436797859.db2.gz CFXHLWYGBDZKTR-ZDUSSCGKSA-N 0 0 332.408 0.488 10 0 ECAERN COC[C@@H]1CN(S(=O)(=O)c2cn(C)cn2)C[C@H]1c1ccncc1 ZINC000253414387 436843713 /nfs/dbraw/zinc/84/37/13/436843713.db2.gz XHYORNBRVNZJKR-KBPBESRZSA-N 0 0 336.417 0.866 10 0 ECAERN C[C@@H](CNC(=O)Nc1ccnn1C[C@H]1CCOC1)N1CCOCC1 ZINC000159247677 436856076 /nfs/dbraw/zinc/85/60/76/436856076.db2.gz GOOMJYLSVODRCO-UONOGXRCSA-N 0 0 337.424 0.762 10 0 ECAERN Cc1cc(CN2C[C@@H](CO)[C@H](NC(=O)c3ccncc3)C2)n(C)n1 ZINC000257184819 436856715 /nfs/dbraw/zinc/85/67/15/436856715.db2.gz IYJMJQRNVZNEEH-GOEBONIOSA-N 0 0 329.404 0.346 10 0 ECAERN CN1C(=O)C[C@H](C(=O)N2CCN(CCO)CC2)[C@@H]1c1ccc(F)cc1 ZINC000132197896 436861651 /nfs/dbraw/zinc/86/16/51/436861651.db2.gz AXBAZLVBJHRQCR-RDJZCZTQSA-N 0 0 349.406 0.482 10 0 ECAERN CCn1cc(C2CCN(C(=O)CNS(=O)(=O)CC)CC2)cn1 ZINC000135354313 436913594 /nfs/dbraw/zinc/91/35/94/436913594.db2.gz KBNTZSATALHPEN-UHFFFAOYSA-N 0 0 328.438 0.548 10 0 ECAERN CCc1cc(N2CCC(NC(=O)N[C@H](C(N)=O)C(C)C)CC2)ncn1 ZINC000135361385 436914221 /nfs/dbraw/zinc/91/42/21/436914221.db2.gz ASIDCQJXAXSCTH-HNNXBMFYSA-N 0 0 348.451 0.817 10 0 ECAERN C[C@H](CNC(=O)N[C@H]1CCN(c2ccccn2)C1)N1CCOCC1 ZINC000163584642 436925649 /nfs/dbraw/zinc/92/56/49/436925649.db2.gz NVZCRWCZIJKPEQ-CABCVRRESA-N 0 0 333.436 0.680 10 0 ECAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)N1CCNC(=O)[C@H]1C(C)C)CC2 ZINC000161558027 436894780 /nfs/dbraw/zinc/89/47/80/436894780.db2.gz IRNBUYHLRIYWNO-TZMCWYRMSA-N 0 0 348.451 0.882 10 0 ECAERN C[C@@H](NC(=O)NC[C@@H]1CN(C)CCO1)C(=O)NCc1ccccc1 ZINC000170924148 436961616 /nfs/dbraw/zinc/96/16/16/436961616.db2.gz AHFFXKROBQYNGV-UKRRQHHQSA-N 0 0 334.420 0.321 10 0 ECAERN Cc1cc(CN2CCN(C(=O)NC[C@@H]3CN(C)CCO3)CC2)no1 ZINC000170924807 436962052 /nfs/dbraw/zinc/96/20/52/436962052.db2.gz NPBKSFQYASTCBF-OAHLLOKOSA-N 0 0 337.424 0.141 10 0 ECAERN Cc1ccc(-c2nnn(CC(=O)NC[C@H]3CN(C)CCO3)n2)cc1 ZINC000171321022 436976122 /nfs/dbraw/zinc/97/61/22/436976122.db2.gz XSARHBBCKHKXER-AWEZNQCLSA-N 0 0 330.392 0.095 10 0 ECAERN CN1CCO[C@H](CNc2ncc(I)cn2)C1 ZINC000165188052 436935940 /nfs/dbraw/zinc/93/59/40/436935940.db2.gz MBFBMJMXWSVFMD-SECBINFHSA-N 0 0 334.161 0.824 10 0 ECAERN O=C([C@H]1CNC(=O)C1)N1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000170663072 436949410 /nfs/dbraw/zinc/94/94/10/436949410.db2.gz OJVMNTDQACFRNW-GFCCVEGCSA-N 0 0 341.371 0.974 10 0 ECAERN Cc1noc2nc(C(C)C)cc(C(=O)N3CCOC[C@H]3C(N)=O)c12 ZINC000091779109 302858059 /nfs/dbraw/zinc/85/80/59/302858059.db2.gz WNCBDYQVYRPKQP-LBPRGKRZSA-N 0 0 332.360 0.981 10 0 ECAERN C[N@@H+](CC(=O)[O-])C[C@@H]1CN(C(=O)N[C@@H]2CCCC2(C)C)CCO1 ZINC000263239447 436957480 /nfs/dbraw/zinc/95/74/80/436957480.db2.gz NNOFFXZLCONXBW-CHWSQXEVSA-N 0 0 327.425 0.992 10 0 ECAERN CN1CCO[C@@H](CNC(=O)N[C@@H]2CC(=O)N(c3ccccc3)C2)C1 ZINC000170923445 436960629 /nfs/dbraw/zinc/96/06/29/436960629.db2.gz RLACKCSKGKWCMX-HIFRSBDPSA-N 0 0 332.404 0.422 10 0 ECAERN C[C@@H](NC(=O)NC[C@H]1CN(C)CCO1)c1ccc(-n2cncn2)cc1 ZINC000170920192 436961283 /nfs/dbraw/zinc/96/12/83/436961283.db2.gz OFDRJVVOVFWDGB-CJNGLKHVSA-N 0 0 344.419 0.958 10 0 ECAERN CCNS(=O)(=O)N1CCN(Cc2cnn(C(C)(C)C)c2)CC1 ZINC000172458398 437016494 /nfs/dbraw/zinc/01/64/94/437016494.db2.gz OHOVVGUNAKQXIN-UHFFFAOYSA-N 0 0 329.470 0.610 10 0 ECAERN O=C(c1cccc(-n2cnnn2)c1)N1CC[C@H](N2CCOCC2)C1 ZINC000172745086 437028022 /nfs/dbraw/zinc/02/80/22/437028022.db2.gz YYABDPGJUQMJTN-HNNXBMFYSA-N 0 0 328.376 0.209 10 0 ECAERN CCN1C[C@@H](C(=O)N[C@@H]2CCCN(c3cc(C)nn3C)C2=O)CC1=O ZINC000173067032 437036883 /nfs/dbraw/zinc/03/68/83/437036883.db2.gz XYPHJBJEIDFOMW-QWHCGFSZSA-N 0 0 347.419 0.209 10 0 ECAERN CCn1cnnc1C1CCN(S(=O)(=O)C[C@H]2CCCO2)CC1 ZINC000171645436 436982839 /nfs/dbraw/zinc/98/28/39/436982839.db2.gz NMFCEFHLPVVXIR-CYBMUJFWSA-N 0 0 328.438 0.986 10 0 ECAERN Cn1ccc(NC(=O)N[C@H]2CCCN(c3nccn(C)c3=O)C2)n1 ZINC000275559292 436983964 /nfs/dbraw/zinc/98/39/64/436983964.db2.gz GHNUNVGOYWQLNP-NSHDSACASA-N 0 0 331.380 0.304 10 0 ECAERN CCCCNC(=O)C1CCN(C(=O)NC[C@@H]2CN(C)CCO2)CC1 ZINC000171704556 436985472 /nfs/dbraw/zinc/98/54/72/436985472.db2.gz SWVDTDSFJMRNOH-OAHLLOKOSA-N 0 0 340.468 0.655 10 0 ECAERN O=C(CCN1C(=O)c2ccccc2C1=O)N[C@H]1CCc2ncnn2C1 ZINC000172002168 436996098 /nfs/dbraw/zinc/99/60/98/436996098.db2.gz SYGGIUDCHHJINX-NSHDSACASA-N 0 0 339.355 0.395 10 0 ECAERN O=C1NCCc2ccc(S(=O)(=O)N3CCN4CCCC[C@@H]4C3)cc21 ZINC000172062258 436997560 /nfs/dbraw/zinc/99/75/60/436997560.db2.gz IUPNUKPQALDGRJ-CQSZACIVSA-N 0 0 349.456 0.831 10 0 ECAERN COCCN1CCN(C(=O)CCCCN2CCOCC2)C[C@@H]1C ZINC000172226096 437006108 /nfs/dbraw/zinc/00/61/08/437006108.db2.gz JOUTVWQQCJARAL-INIZCTEOSA-N 0 0 327.469 0.668 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)c2cn(Cc3cccs3)nn2)CC1 ZINC000173105858 437038377 /nfs/dbraw/zinc/03/83/77/437038377.db2.gz ABYYHBXDPCSDKV-ZDUSSCGKSA-N 0 0 349.460 0.917 10 0 ECAERN CC(C)(C)C(=O)Cn1cc(C(=O)N2CC[C@@H](N3CCOCC3)C2)nn1 ZINC000173330006 437044161 /nfs/dbraw/zinc/04/41/61/437044161.db2.gz JXRZOVXUFSHXEN-CYBMUJFWSA-N 0 0 349.435 0.440 10 0 ECAERN CC(C)c1nnc2n1C[C@H](NC(=O)C(C)(C)NS(C)(=O)=O)CC2 ZINC000173390247 437048169 /nfs/dbraw/zinc/04/81/69/437048169.db2.gz SAHBKLRYVSFTLX-SNVBAGLBSA-N 0 0 343.453 0.160 10 0 ECAERN CNc1cc(N2CCC[C@H]2CNC(=O)c2cnn(C)c2C)ncn1 ZINC000173421010 437048730 /nfs/dbraw/zinc/04/87/30/437048730.db2.gz DOYPKUCRAGXCGZ-LBPRGKRZSA-N 0 0 329.408 0.959 10 0 ECAERN CNC(=O)c1ccc(NC(=O)N2CC[C@@H](N3CCOCC3)C2)cc1 ZINC000173785525 437063514 /nfs/dbraw/zinc/06/35/14/437063514.db2.gz BRVLTNLVKCIQTI-OAHLLOKOSA-N 0 0 332.404 0.985 10 0 ECAERN Cc1ccccc1C(=O)NCC(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000173815311 437063914 /nfs/dbraw/zinc/06/39/14/437063914.db2.gz NWIRSZCXLRSBJO-NVXWUHKLSA-N 0 0 345.443 0.904 10 0 ECAERN CC(C)(C)C(=O)NCCNC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000173822522 437065311 /nfs/dbraw/zinc/06/53/11/437065311.db2.gz ZYFZCKFHATVIRW-ZDUSSCGKSA-N 0 0 326.441 0.265 10 0 ECAERN CCCCCS(=O)(=O)CC(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000173821279 437066185 /nfs/dbraw/zinc/06/61/85/437066185.db2.gz SHKNWVVKDOCRMZ-LSDHHAIUSA-N 0 0 346.493 0.771 10 0 ECAERN CC[C@H]1CN(C(=O)CCS(=O)(=O)CC(C)C)CCN1C[C@@H](C)O ZINC000174636415 437084607 /nfs/dbraw/zinc/08/46/07/437084607.db2.gz LLLFZIMZEAPAHC-CABCVRRESA-N 0 0 348.509 0.751 10 0 ECAERN CCS(=O)(=O)N1CC(CNc2nnnn2-c2ccc(C)cc2)C1 ZINC000302538165 437146857 /nfs/dbraw/zinc/14/68/57/437146857.db2.gz GXWCYJHZGLNTNM-UHFFFAOYSA-N 0 0 336.421 0.664 10 0 ECAERN CN(C)C(=O)[C@H]1CCCN(c2cnn(C)c(=O)c2Br)C1 ZINC000301265785 437118399 /nfs/dbraw/zinc/11/83/99/437118399.db2.gz WKKIOMYMFCNJSI-VIFPVBQESA-N 0 0 343.225 0.847 10 0 ECAERN CC(C)n1nccc1NC(=O)C(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000176088563 437130644 /nfs/dbraw/zinc/13/06/44/437130644.db2.gz XSYGKQZUMXHZNU-GFCCVEGCSA-N 0 0 331.380 0.858 10 0 ECAERN O=C(NCCCN1C(=O)CCC1=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000177501431 437186972 /nfs/dbraw/zinc/18/69/72/437186972.db2.gz LVOYQRVENKVJTI-CYBMUJFWSA-N 0 0 333.392 0.596 10 0 ECAERN C[C@@H](O)CN1CCN(C(=O)C(=O)Nc2ccc(F)c(F)c2)C[C@H]1C ZINC000177604304 437191841 /nfs/dbraw/zinc/19/18/41/437191841.db2.gz YJASRARFVGNXMA-GHMZBOCLSA-N 0 0 341.358 0.817 10 0 ECAERN CCOc1ccccc1NC(=O)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000177635816 437194581 /nfs/dbraw/zinc/19/45/81/437194581.db2.gz AFMFFFJINFTAKS-NSHDSACASA-N 0 0 329.360 0.747 10 0 ECAERN Cc1ccc(C(=O)N2CCN(C[C@@H](O)CN3CCCC3=O)CC2)cc1 ZINC000178507777 437217192 /nfs/dbraw/zinc/21/71/92/437217192.db2.gz QJJHCGJMQXAVGI-QGZVFWFLSA-N 0 0 345.443 0.736 10 0 ECAERN CNC(=O)[C@H](NC(=O)NCCNC(=O)c1ccc(C)cc1)C(C)C ZINC000178418865 437214795 /nfs/dbraw/zinc/21/47/95/437214795.db2.gz ORGMOKKITPHABU-CQSZACIVSA-N 0 0 334.420 0.795 10 0 ECAERN CC(=O)N[C@H]1CCCN(C(=O)C[N@@H+]2CCC[C@H]2Cn2ccnc2C)C1 ZINC000178752374 437230033 /nfs/dbraw/zinc/23/00/33/437230033.db2.gz GKJLCGBITSLICG-IRXDYDNUSA-N 0 0 347.463 0.783 10 0 ECAERN CCn1cnnc1[C@@H]1CN(C(=O)[C@@H](C)N2CCSCC2)CCO1 ZINC000328615989 437240160 /nfs/dbraw/zinc/24/01/60/437240160.db2.gz BGYZDFFZPXZVPC-OLZOCXBDSA-N 0 0 339.465 0.635 10 0 ECAERN CCn1cnnc1[C@H]1CN(C(=O)Cn2nnc3ccccc32)CCO1 ZINC000328619954 437242629 /nfs/dbraw/zinc/24/26/29/437242629.db2.gz GNPDEMJOIGEYAM-CQSZACIVSA-N 0 0 341.375 0.643 10 0 ECAERN C[NH+](C)[C@@H]1CCN(C(=O)C(=O)Nc2ccn(Cc3ccncc3)n2)C1 ZINC000179346321 437259391 /nfs/dbraw/zinc/25/93/91/437259391.db2.gz LOYAVEMSDGZPGW-CQSZACIVSA-N 0 0 342.403 0.427 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)Nc2cc(CCOC)nn2C)CC1 ZINC000181243446 437314290 /nfs/dbraw/zinc/31/42/90/437314290.db2.gz WXZCRFBLOQCNTB-AWEZNQCLSA-N 0 0 339.440 0.529 10 0 ECAERN Cc1nnc([C@H]2CN(C(=O)C(=O)Nc3ccccc3C)CCO2)[nH]1 ZINC000180223631 437282473 /nfs/dbraw/zinc/28/24/73/437282473.db2.gz PMOLESSLHGNMGG-CYBMUJFWSA-N 0 0 329.360 0.960 10 0 ECAERN CCCn1nccc1NC(=O)C(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000180260764 437285157 /nfs/dbraw/zinc/28/51/57/437285157.db2.gz DOJXVHKYPCSLAT-KBPBESRZSA-N 0 0 349.435 0.411 10 0 ECAERN CC[C@@H](O)CN1CCN(S(=O)(=O)c2ccc(Cl)nc2)CC1 ZINC000182407398 437348552 /nfs/dbraw/zinc/34/85/52/437348552.db2.gz UABLIYZQHOYYGV-LLVKDONJSA-N 0 0 333.841 0.812 10 0 ECAERN O=S(=O)(N[C@@H]1CCc2ncnn2C1)c1ccc(C(F)(F)F)nc1 ZINC000181996957 437335554 /nfs/dbraw/zinc/33/55/54/437335554.db2.gz QXFNQXRDZLHGSU-MRVPVSSYSA-N 0 0 347.322 0.985 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)NCCc2cn3ccccc3n2)CC1 ZINC000184779347 437410983 /nfs/dbraw/zinc/41/09/83/437410983.db2.gz MBLBEKRZOPOVQJ-INIZCTEOSA-N 0 0 345.447 0.975 10 0 ECAERN COCCN1CCN(C(=O)c2cn(CC3(C)COC3)nn2)C[C@H]1C ZINC000184906763 437415535 /nfs/dbraw/zinc/41/55/35/437415535.db2.gz CPMCOKIVXXAZAF-CYBMUJFWSA-N 0 0 337.424 0.107 10 0 ECAERN COCC(=O)NC1CN(C(=O)c2ccc(-n3cncn3)c(C)c2)C1 ZINC000186319572 437469953 /nfs/dbraw/zinc/46/99/53/437469953.db2.gz FJYAOVYDPIGJRU-UHFFFAOYSA-N 0 0 329.360 0.163 10 0 ECAERN COCC(=O)NC1CN(C(=O)NC[C@@H](c2cccnc2)C(C)C)C1 ZINC000185617044 437445203 /nfs/dbraw/zinc/44/52/03/437445203.db2.gz CBKVCBOZNOGNLI-OAHLLOKOSA-N 0 0 334.420 0.978 10 0 ECAERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1cnn([C@@H](C)C2CC2)c1 ZINC000187355205 437503630 /nfs/dbraw/zinc/50/36/30/437503630.db2.gz FFYQHPOXXXCSIA-GWCFXTLKSA-N 0 0 333.392 0.530 10 0 ECAERN O=C(Nc1cc(F)c(F)c(F)c1)C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000187981525 437518583 /nfs/dbraw/zinc/51/85/83/437518583.db2.gz CAHSQBHIZKSCKP-UHFFFAOYSA-N 0 0 341.289 0.779 10 0 ECAERN CN(C)c1ccccc1NC(=O)C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000187987579 437523220 /nfs/dbraw/zinc/52/32/20/437523220.db2.gz YDUGQEUSPCRLKW-UHFFFAOYSA-N 0 0 330.388 0.428 10 0 ECAERN CCn1cc(C2CCN(C(=O)NCCS(=O)(=O)NC)CC2)cn1 ZINC000188306396 437541510 /nfs/dbraw/zinc/54/15/10/437541510.db2.gz WKRRLQYBGHTQST-UHFFFAOYSA-N 0 0 343.453 0.341 10 0 ECAERN COCC(=O)NC1CN(C(=O)NCc2ccc(-n3cccn3)cc2)C1 ZINC000188386462 437545906 /nfs/dbraw/zinc/54/59/06/437545906.db2.gz UNBKVAMEPDUFSY-UHFFFAOYSA-N 0 0 343.387 0.529 10 0 ECAERN CCN(CCNC(=O)N1CC(NC(=O)COC)C1)c1ccccc1C ZINC000188381785 437546085 /nfs/dbraw/zinc/54/60/85/437546085.db2.gz XFULPGMKBBLAFU-UHFFFAOYSA-N 0 0 348.447 0.978 10 0 ECAERN CCn1cc(CN2CCCN(C(=O)C3CN(C(C)=O)C3)CC2)cn1 ZINC000188447569 437549774 /nfs/dbraw/zinc/54/97/74/437549774.db2.gz PEEMMMWJJOUTIP-UHFFFAOYSA-N 0 0 333.436 0.416 10 0 ECAERN Cc1nc(S(=O)(=O)N[C@H]2CCO[C@@H]2c2cnn(C)c2)cn1C ZINC000189195562 437588385 /nfs/dbraw/zinc/58/83/85/437588385.db2.gz SDVPZNPDSPGIQT-WCQYABFASA-N 0 0 325.394 0.271 10 0 ECAERN CCn1cc([C@@H]2CN(CC(=O)NCC(=O)N3CCCC3)CCO2)cn1 ZINC000190747480 437635344 /nfs/dbraw/zinc/63/53/44/437635344.db2.gz QGIDDINEEALWCK-HNNXBMFYSA-N 0 0 349.435 0.015 10 0 ECAERN COC[C@@H]1CN(C(=O)Cc2c(C)[nH]c3ccnn3c2=O)CC(C)(C)O1 ZINC000343729047 437638919 /nfs/dbraw/zinc/63/89/19/437638919.db2.gz KJCCBDSUZLDPQA-LBPRGKRZSA-N 0 0 348.403 0.526 10 0 ECAERN CCn1cc([C@H]2CN(C(=O)NCCC(=O)NC(C)C)CCO2)cn1 ZINC000190839610 437639108 /nfs/dbraw/zinc/63/91/08/437639108.db2.gz DEFOADPFPNKIAB-CQSZACIVSA-N 0 0 337.424 0.901 10 0 ECAERN CNS(=O)(=O)c1ccc(N2C[C@@H](OC)C[C@H]2COC)c(F)c1 ZINC000343732780 437640331 /nfs/dbraw/zinc/64/03/31/437640331.db2.gz CFKIIAYKRYKRLD-QWRGUYRKSA-N 0 0 332.397 0.974 10 0 ECAERN CCn1cc([C@@H]2CN(C(=O)NCC(=O)N3CCCCC3)CCO2)cn1 ZINC000191010342 437645436 /nfs/dbraw/zinc/64/54/36/437645436.db2.gz DCWZIFQJGUIFQP-HNNXBMFYSA-N 0 0 349.435 0.998 10 0 ECAERN CC1=C(C(=O)NC[C@@H](C)N2CCOCC2)[C@H](C)n2ncnc2N1C ZINC000192154665 437668476 /nfs/dbraw/zinc/66/84/76/437668476.db2.gz LJPXYMRCLBAWPP-YPMHNXCESA-N 0 0 334.424 0.400 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)C2=C(C)N(C)c3ncnn3[C@@H]2C)CC1 ZINC000192210877 437672204 /nfs/dbraw/zinc/67/22/04/437672204.db2.gz PFQFPURXAOHXHA-ZIAGYGMSSA-N 0 0 348.451 0.478 10 0 ECAERN C[C@@H]1CN(S(=O)(=O)N2CCO[C@H](c3cnn(C)c3)C2)C[C@@H](C)O1 ZINC000365883997 437984091 /nfs/dbraw/zinc/98/40/91/437984091.db2.gz NRTQOJDWHMXUIT-BZPMIXESSA-N 0 0 344.437 0.147 10 0 ECAERN CO[C@H]1C[C@H](C(=O)N[C@@H]2CCOC(C)(C)C2)N(S(C)(=O)=O)C1 ZINC000366060571 438012776 /nfs/dbraw/zinc/01/27/76/438012776.db2.gz YVFIFPULQGRAMB-GRYCIOLGSA-N 0 0 334.438 0.109 10 0 ECAERN CCCCN1CCOC[C@@H]1C(=O)N1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000366546846 438092247 /nfs/dbraw/zinc/09/22/47/438092247.db2.gz PZVANTXVOLXFTC-INMHGKMJSA-N 0 0 326.437 0.894 10 0 ECAERN COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)N1CCN(C2CCC2)CC1 ZINC000378687502 438411707 /nfs/dbraw/zinc/41/17/07/438411707.db2.gz WVHJYHHTUWMPKZ-ZIAGYGMSSA-N 0 0 330.450 0.828 10 0 ECAERN COC1(CC(=O)N2C[C@H](C(N)=O)[C@@H](c3cnn(C)c3C)C2)CCC1 ZINC000527578976 439297045 /nfs/dbraw/zinc/29/70/45/439297045.db2.gz ALCSRAQFLVORDL-KGLIPLIRSA-N 0 0 334.420 0.715 10 0 ECAERN CCn1nccc1S(=O)(=O)N1CCOC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000583616370 439485615 /nfs/dbraw/zinc/48/56/15/439485615.db2.gz JTADKURSSWFFPC-YNEHKIRRSA-N 0 0 329.422 0.454 10 0 ECAERN Cc1nn(C)c(C)c1S(=O)(=O)N1CCOC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000583616373 439486699 /nfs/dbraw/zinc/48/66/99/439486699.db2.gz KOGCWXRSYHMSGH-BFHYXJOUSA-N 0 0 343.449 0.587 10 0 ECAERN CC(C)n1cc([C@]2(O)CCN(c3cc(=O)n4ccccc4n3)C2)nn1 ZINC000583615081 439487044 /nfs/dbraw/zinc/48/70/44/439487044.db2.gz CHTBTMQMDSWYMX-KRWDZBQOSA-N 0 0 340.387 0.965 10 0 ECAERN O=C(NC[C@H]1CCOC1)NC[C@@H]1C[C@H](F)CN1Cc1cncnc1 ZINC000583622123 439487601 /nfs/dbraw/zinc/48/76/01/439487601.db2.gz QIKWMORGCOHWNV-SNPRPXQTSA-N 0 0 337.399 0.725 10 0 ECAERN CC(=O)c1ccc(-c2cnc(N)c(C(=O)NC[C@H](O)CO)n2)s1 ZINC000584662111 439607203 /nfs/dbraw/zinc/60/72/03/439607203.db2.gz QCDNMINCFSEGHT-QMMMGPOBSA-N 0 0 336.373 0.073 10 0 ECAERN CN(C)C(=O)C[C@]1(O)CCCN(c2nnnn2-c2ccccc2)C1 ZINC000643720234 440281881 /nfs/dbraw/zinc/28/18/81/440281881.db2.gz YZFNCQDWXPQKPN-MRXNPFEDSA-N 0 0 330.392 0.472 10 0 ECAERN CNC(=O)C[C@@]1(O)CCCN(c2nnnn2-c2ccc(C)cc2)C1 ZINC000643720569 440282489 /nfs/dbraw/zinc/28/24/89/440282489.db2.gz ICCRUNGRAOJUOM-INIZCTEOSA-N 0 0 330.392 0.438 10 0 ECAERN Cc1cc(CNC(=O)C[C@H]2CS(=O)(=O)CCN2C)ccc1F ZINC000644273547 440500610 /nfs/dbraw/zinc/50/06/10/440500610.db2.gz UZORBSNEKSQVNC-ZDUSSCGKSA-N 0 0 328.409 0.869 10 0 ECAERN O=C(CN1CCCC[C@H](O)C1=O)NCc1ccc(-n2cccn2)cc1 ZINC000644308361 440518546 /nfs/dbraw/zinc/51/85/46/440518546.db2.gz SFZFIRKEXWWKSX-INIZCTEOSA-N 0 0 342.399 0.862 10 0 ECAERN Cc1ccn2cc(CNC(=O)CN3CCCC[C@H](O)C3=O)nc2c1 ZINC000644324856 440528577 /nfs/dbraw/zinc/52/85/77/440528577.db2.gz VJGDIKCOTAVIRB-AWEZNQCLSA-N 0 0 330.388 0.632 10 0 ECAERN COCCN(Cc1ccccn1)C(=O)[C@H]1Cn2c(C)nnc2CN1C ZINC000644322940 440528747 /nfs/dbraw/zinc/52/87/47/440528747.db2.gz KQRVABAZFHNLSB-OAHLLOKOSA-N 0 0 344.419 0.471 10 0 ECAERN Cn1cc(C(=O)N[C@H]2CC(=O)N(C3CC3)C2)c(C2CCOCC2)n1 ZINC000644380208 440558612 /nfs/dbraw/zinc/55/86/12/440558612.db2.gz AGIIDULNYSULHP-LBPRGKRZSA-N 0 0 332.404 0.807 10 0 ECAERN CCn1nc(NC(=O)C[C@H]2CS(=O)(=O)CCN2C)cc1C1CC1 ZINC000644382454 440560462 /nfs/dbraw/zinc/56/04/62/440560462.db2.gz QNIINIKHBPDNIJ-LBPRGKRZSA-N 0 0 340.449 0.838 10 0 ECAERN CNC(=O)[C@@H]1CCCN(C(=O)c2cn(C)nc2C2CCOCC2)C1 ZINC000644357735 440546004 /nfs/dbraw/zinc/54/60/04/440546004.db2.gz PIXJFJUOOWRWPG-CYBMUJFWSA-N 0 0 334.420 0.912 10 0 ECAERN O=C(CNC(=O)c1ccc(Br)o1)N[C@@H]1CCOC[C@@H]1O ZINC000629218790 440634718 /nfs/dbraw/zinc/63/47/18/440634718.db2.gz UWWDGOFIXILMGP-SFYZADRCSA-N 0 0 347.165 0.038 10 0 ECAERN CCN1CCO[C@@H](CNC(=O)c2nn(C)cc2Br)C1 ZINC000645475953 440816581 /nfs/dbraw/zinc/81/65/81/440816581.db2.gz RUMKZVIKBZQMJZ-VIFPVBQESA-N 0 0 331.214 0.633 10 0 ECAERN O=C(NCCNC(=O)c1cccs1)N[C@H]1CCc2ncnn2C1 ZINC000171868010 320515570 /nfs/dbraw/zinc/51/55/70/320515570.db2.gz UPEWOUBPINSFTI-JTQLQIEISA-N 0 0 334.405 0.384 10 0 ECAERN CC(=O)N1CCN(c2cccc(NC(=O)[C@H]3CNC(=O)C3)c2)CC1 ZINC000189338876 320539374 /nfs/dbraw/zinc/53/93/74/320539374.db2.gz BGLFFSMJTFNKPP-CYBMUJFWSA-N 0 0 330.388 0.430 10 0 ECAERN CCn1nccc1CN(C)S(=O)(=O)c1cnn([C@H]2CCOC2)c1 ZINC000328710608 320728605 /nfs/dbraw/zinc/72/86/05/320728605.db2.gz BTQXJENIOUDKBM-ZDUSSCGKSA-N 0 0 339.421 0.882 10 0 ECAERN CN(CC(=O)N1CCC[C@@H](n2cccn2)C1)[C@H]1CCS(=O)(=O)C1 ZINC000328715854 320729168 /nfs/dbraw/zinc/72/91/68/320729168.db2.gz SZDSZTMFZIHCRG-KGLIPLIRSA-N 0 0 340.449 0.166 10 0 ECAERN C[C@@H]1CN(C(=O)[C@@H]2CC[C@@H](C(=O)N3CCO[C@@H](C)C3)O2)CCO1 ZINC000329286762 320764188 /nfs/dbraw/zinc/76/41/88/320764188.db2.gz MDZQHSFHMKRIHK-CRWXNKLISA-N 0 0 326.393 0.029 10 0 ECAERN Cc1cc(C)n2nc(CC(=O)N3CCOC[C@H]3[C@@H]3CCCO3)nc2n1 ZINC000329414629 320770771 /nfs/dbraw/zinc/77/07/71/320770771.db2.gz YUIHBSZJMXKNPB-KBPBESRZSA-N 0 0 345.403 0.690 10 0 ECAERN CN(C(=O)[C@@H]1CSCN1S(=O)(=O)NC1CCCC1)C1CC1 ZINC000330248011 320812609 /nfs/dbraw/zinc/81/26/09/320812609.db2.gz LZULLAABXMTLOX-LBPRGKRZSA-N 0 0 333.479 0.759 10 0 ECAERN CO[C@@H]1COC[C@H]1N1CCN(CC(=O)NC2CCCCC2)CC1 ZINC000333647209 320922114 /nfs/dbraw/zinc/92/21/14/320922114.db2.gz DGKZOIPGJDXAKC-HZPDHXFCSA-N 0 0 325.453 0.467 10 0 ECAERN CCn1cc(Br)cc1C(=O)N1CCC[C@@](O)(C(N)=O)C1 ZINC000367575187 321693442 /nfs/dbraw/zinc/69/34/42/321693442.db2.gz ZSXYSWMIYRGBTN-ZDUSSCGKSA-N 0 0 344.209 0.723 10 0 ECAERN O=C(Nc1cccnc1-n1cccn1)C(=O)N[C@@H]1CCCC[C@H]1CO ZINC000130629700 534410585 /nfs/dbraw/zinc/41/05/85/534410585.db2.gz CUKDBSUPCJYQAC-QWHCGFSZSA-N 0 0 343.387 0.873 10 0 ECAERN NC(=O)c1cnn2c1nccc2C(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000154579302 534514028 /nfs/dbraw/zinc/51/40/28/534514028.db2.gz GULKSSSMYIFWFD-YPMHNXCESA-N 0 0 329.360 0.612 10 0 ECAERN Cn1c(=O)ccn(CC(=O)N2CCC[C@@H]2C[C@@H](O)c2ccco2)c1=O ZINC000154507457 534670483 /nfs/dbraw/zinc/67/04/83/534670483.db2.gz KJZJBKZASHJIDK-CHWSQXEVSA-N 0 0 347.371 0.255 10 0 ECAERN Cn1cc(N2CCN(c3cc(N4CCC[C@H]4CO)ncn3)CC2)cn1 ZINC000173920048 534741779 /nfs/dbraw/zinc/74/17/79/534741779.db2.gz RALCDLBDRJECFT-AWEZNQCLSA-N 0 0 343.435 0.498 10 0 ECAERN CC(=O)NC1CN(C(=O)C(=O)Nc2ccc3cnn(C(C)C)c3c2)C1 ZINC000191344170 526704609 /nfs/dbraw/zinc/70/46/09/526704609.db2.gz PRDGBIORBOBWIR-UHFFFAOYSA-N 0 0 343.387 0.903 10 0 ECAERN CC(=O)NC1CN(C(=O)c2nn(-c3ccccc3)c(C)cc2=O)C1 ZINC000190465876 526713644 /nfs/dbraw/zinc/71/36/44/526713644.db2.gz FLPXSBRTBPTUGB-UHFFFAOYSA-N 0 0 326.356 0.501 10 0 ECAERN CC(=O)NC1CN(S(=O)(=O)c2ccc(Br)cc2)C1 ZINC000188548113 526715115 /nfs/dbraw/zinc/71/51/15/526715115.db2.gz ZZSYWBKDBINYSX-UHFFFAOYSA-N 0 0 333.207 0.958 10 0 ECAERN CC(C)[C@H]1C(=O)NCCN1C(=O)Nc1ccnn1C[C@@H]1CCOC1 ZINC000187790796 527755980 /nfs/dbraw/zinc/75/59/80/527755980.db2.gz YDMVRXUOFIZCPY-JSGCOSHPSA-N 0 0 335.408 0.908 10 0 ECAERN CC(C)c1ccc(OCC(=O)NC[C@H](O)CN2CCOCC2)cc1 ZINC000154152888 528119614 /nfs/dbraw/zinc/11/96/14/528119614.db2.gz UGYPXWKUJQQZNR-INIZCTEOSA-N 0 0 336.432 0.998 10 0 ECAERN CCC[C@H](NC(=O)Cc1ccccc1)C(=O)N1CC(NC(C)=O)C1 ZINC000190459560 528179659 /nfs/dbraw/zinc/17/96/59/528179659.db2.gz BXAJZLRWVOQNND-INIZCTEOSA-N 0 0 331.416 0.861 10 0 ECAERN CCN(CC)S(=O)(=O)NC[C@H]1CCCN1c1cc(NC)ncn1 ZINC000173900312 528215476 /nfs/dbraw/zinc/21/54/76/528215476.db2.gz YFVFURTYMQBWFL-GFCCVEGCSA-N 0 0 342.469 0.663 10 0 ECAERN CCCc1cnc(NC(=O)C(=O)NC[C@@H](C)N2CCOCC2)s1 ZINC000190308641 528650552 /nfs/dbraw/zinc/65/05/52/528650552.db2.gz PYIJUDWJQUEVFS-LLVKDONJSA-N 0 0 340.449 0.871 10 0 ECAERN CCOC(=O)CCS(=O)(=O)N1CCC[C@@H]1Cn1ccnc1C ZINC000173744995 528739567 /nfs/dbraw/zinc/73/95/67/528739567.db2.gz QAIFSQOVDHRDDL-CYBMUJFWSA-N 0 0 329.422 0.939 10 0 ECAERN CCOC(=O)NCC(=O)N1CCCN(Cc2cnn(CC)c2)CC1 ZINC000171599272 529028175 /nfs/dbraw/zinc/02/81/75/529028175.db2.gz ZUKOCZARIKVYKF-UHFFFAOYSA-N 0 0 337.424 0.683 10 0 ECAERN CC[C@@H]1CN(C(=O)C(=O)Nc2cnn(CC)c2)CCN1CCOC ZINC000129830333 529359843 /nfs/dbraw/zinc/35/98/43/529359843.db2.gz ATCBCFVZUXDFLM-CQSZACIVSA-N 0 0 337.424 0.411 10 0 ECAERN C[C@@H](C(=O)N1CCC(C(N)=O)CC1)N1C(=O)c2ccccc2C1=O ZINC000075241354 545687633 /nfs/dbraw/zinc/68/76/33/545687633.db2.gz LZMWVBWNQMVZNG-JTQLQIEISA-N 0 0 329.356 0.395 10 0 ECAERN COCCN1CCN(CC(=O)NCc2cccc(OC)c2)C[C@@H]1C ZINC000105832887 545740069 /nfs/dbraw/zinc/74/00/69/545740069.db2.gz SNERVZIALVIVAV-HNNXBMFYSA-N 0 0 335.448 0.964 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)NCC1(OC)CCOCC1)CC2 ZINC000122147508 545756491 /nfs/dbraw/zinc/75/64/91/545756491.db2.gz PCZSHWNRGZUUDN-LBPRGKRZSA-N 0 0 337.424 0.650 10 0 ECAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CCN(C2CC2)c2ccccc21 ZINC000194044350 545912727 /nfs/dbraw/zinc/91/27/27/545912727.db2.gz BXTKWKFYNCFSOF-RHSMWYFYSA-N 0 0 329.400 0.984 10 0 ECAERN C[C@@H]1CN(S(=O)(=O)CC[C@H]2CCCO2)C[C@@H]1N1CCOCC1 ZINC000246030987 545938015 /nfs/dbraw/zinc/93/80/15/545938015.db2.gz PSNLURUSLPQKBV-KFWWJZLASA-N 0 0 332.466 0.538 10 0 ECAERN CN1CCN(Cc2ccccc2)[C@H](CNC(=O)[C@@H]2CNC(=O)C2)C1 ZINC000620722806 546444822 /nfs/dbraw/zinc/44/48/22/546444822.db2.gz IGDXDDLARZLEJB-JKSUJKDBSA-N 0 0 330.432 0.055 10 0 ECAERN CCn1cc(O[C@@H]2CN(CC(=O)NCc3ccco3)C[C@H]2O)cn1 ZINC000625622727 547180171 /nfs/dbraw/zinc/18/01/71/547180171.db2.gz UHWFXWJXQMJPMB-HUUCEWRRSA-N 0 0 334.376 0.236 10 0 ECAERN O=C(Cc1ccc2c(c1)CCC2)N1CC[C@](O)(Cn2ccnn2)C1 ZINC000671499775 548163170 /nfs/dbraw/zinc/16/31/70/548163170.db2.gz OOFYPRYIJSCOBL-GOSISDBHSA-N 0 0 326.400 0.973 10 0 ECAERN O[C@@]1(Cn2ccnn2)CCN(Cc2ncn(-c3ccccc3)n2)C1 ZINC000671553264 548181811 /nfs/dbraw/zinc/18/18/11/548181811.db2.gz MTGGFDBCQLOUIO-INIZCTEOSA-N 0 0 325.376 0.496 10 0 ECAERN O=C(c1ncccc1C(F)(F)F)N1CC[C@@](O)(Cn2ccnn2)C1 ZINC000671606575 548203765 /nfs/dbraw/zinc/20/37/65/548203765.db2.gz KNVRARZWOCBGPE-ZDUSSCGKSA-N 0 0 341.293 0.969 10 0 ECAERN CO[C@H]1CCCCN(CC(=O)N2CCC(c3nncn3C)CC2)C1=O ZINC000888076055 586245479 /nfs/dbraw/zinc/24/54/79/586245479.db2.gz SSGKYSKBVZGQPG-AWEZNQCLSA-N 0 0 349.435 0.549 10 0 ECAERN CO[C@@H]1CCCCN(CC(=O)N2CCc3cc[nH]c(=O)c3C2)C1=O ZINC000888076253 586245513 /nfs/dbraw/zinc/24/55/13/586245513.db2.gz OXFVWGKOBAOFQV-CQSZACIVSA-N 0 0 333.388 0.699 10 0 ECAERN Cc1cc(F)cc2c1CN(C(=O)c1cn([C@@H]3COC[C@H]3O)nn1)CC2 ZINC000888093499 586348431 /nfs/dbraw/zinc/34/84/31/586348431.db2.gz AMSVILZYKADJFW-HZPDHXFCSA-N 0 0 346.362 0.856 10 0 ECAERN CCn1cc(O[C@@H]2CCC[C@@H]2NC(=O)CN2C(=O)CN(C)C2=O)cn1 ZINC000888094849 586349258 /nfs/dbraw/zinc/34/92/58/586349258.db2.gz DYSOYVATFSCHDE-QWHCGFSZSA-N 0 0 349.391 0.213 10 0 ECAERN CNC(=O)[C@@H]1CC(=O)N(C2CN(C(=O)c3nc(C(C)C)oc3C)C2)C1 ZINC000888099027 586349902 /nfs/dbraw/zinc/34/99/02/586349902.db2.gz ZUOIXIHUJYXHJM-LLVKDONJSA-N 0 0 348.403 0.525 10 0 ECAERN CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NS(=O)(=O)c1ncc[n-]1)C2 ZINC000888098212 586349925 /nfs/dbraw/zinc/34/99/25/586349925.db2.gz BINRYEBAOUSCFE-NRWUCQMLSA-N 0 0 328.438 0.168 10 0 ECAERN CCOCCN1CCN(C(=O)CNC(=O)N2CCCC2)C[C@H]1C ZINC000900744084 586661703 /nfs/dbraw/zinc/66/17/03/586661703.db2.gz JCVFTZKIUASJTG-CQSZACIVSA-N 0 0 326.441 0.361 10 0 ECAERN COCC(=O)NC1CN(C(=O)c2ccc3c(c2)N[C@@H](C)CC(=O)N3)C1 ZINC000907504476 586725605 /nfs/dbraw/zinc/72/56/05/586725605.db2.gz DIAVFQBKQXZBHX-JTQLQIEISA-N 0 0 346.387 0.416 10 0 ECAERN Cc1cc(C)n(C[C@H]2CN(S(=O)(=O)N(C)C(C)C)CCO2)n1 ZINC000111345222 589543317 /nfs/dbraw/zinc/54/33/17/589543317.db2.gz ORFKEXWWNJEZSZ-CQSZACIVSA-N 0 0 330.454 0.786 10 0 ECAERN CCc1noc([C@@H](C)N2CCN(CN3CCOC3=S)CC2)n1 ZINC000112071018 589576660 /nfs/dbraw/zinc/57/66/60/589576660.db2.gz YSIGZSFJZUAEOV-LLVKDONJSA-N 0 0 325.438 0.885 10 0 ECAERN Cc1cnn(C[C@@H]2CN(CN3CC(=O)N(C(C)C)C3=O)CCO2)c1 ZINC000112071986 589576816 /nfs/dbraw/zinc/57/68/16/589576816.db2.gz WGVNGGXKJZPOOR-AWEZNQCLSA-N 0 0 335.408 0.522 10 0 ECAERN Cc1cc(C(=O)N2CCN([C@]3(C(N)=O)CCOC3)CC2)nn1C(C)C ZINC000886077538 590790973 /nfs/dbraw/zinc/79/09/73/590790973.db2.gz GTVQCTPGGLOOHG-QGZVFWFLSA-N 0 0 349.435 0.175 10 0 ECAERN CCN1CCO[C@@H](CNC(=O)Cc2ccc[nH]2)[C@@H]1c1ccnn1C ZINC000886079070 590791577 /nfs/dbraw/zinc/79/15/77/590791577.db2.gz DXDCTSCOMZYFPV-RDJZCZTQSA-N 0 0 331.420 0.869 10 0 ECAERN Cn1nccc1[C@@H]1[C@@H](C(=O)Nc2nncn2C2CC2)CCC(=O)N1C ZINC000886077847 590791636 /nfs/dbraw/zinc/79/16/36/590791636.db2.gz JWPWEHVFVKLMKG-FZMZJTMJSA-N 0 0 343.391 0.895 10 0 ECAERN CCn1ccnc(NC[C@@H]2OCCN(C)[C@H]2c2ccnn2C)c1=O ZINC000886079571 590791718 /nfs/dbraw/zinc/79/17/18/590791718.db2.gz FWVOLJCLWNIMGG-KBPBESRZSA-N 0 0 332.408 0.481 10 0 ECAERN CCn1nc(C)c(C(=O)N2C[C@@H](OC)[C@H](c3cn(C)nn3)C2)c1C ZINC000886077659 590791771 /nfs/dbraw/zinc/79/17/71/590791771.db2.gz BKHMBNOXNHKLPJ-GXTWGEPZSA-N 0 0 332.408 0.903 10 0 ECAERN NC(=O)[C@]1(N2CCN(c3ncc(Cl)cc3F)CC2)CCOC1 ZINC000886081923 590792397 /nfs/dbraw/zinc/79/23/97/590792397.db2.gz HGRNBXGVDPKGKF-AWEZNQCLSA-N 0 0 328.775 0.641 10 0 ECAERN Cc1cc(NC[C@@H]2OCCN(C)[C@H]2c2ccnn2C)n2ncnc2n1 ZINC000886081937 590792705 /nfs/dbraw/zinc/79/27/05/590792705.db2.gz IYRUOHJHRYIBIB-ZFWWWQNUSA-N 0 0 342.407 0.650 10 0 ECAERN Cn1ccnc1[C@H]1[C@H](NC(=O)CCn2cccn2)CCC(=O)N1C ZINC000886096735 590795668 /nfs/dbraw/zinc/79/56/68/590795668.db2.gz BKLILMWEYIHZIX-IUODEOHRSA-N 0 0 330.392 0.485 10 0 ECAERN O=C(N[C@@H]1C[C@@H](O)C12CCOCC2)c1cccc(Cn2cncn2)c1 ZINC000886991737 590914342 /nfs/dbraw/zinc/91/43/42/590914342.db2.gz IPFDBQBSLWAYFH-HZPDHXFCSA-N 0 0 342.399 0.986 10 0 ECAERN CC[C@@H]1CN(C(=O)C(=O)Nc2ccc(F)nc2)CCN1CCOC ZINC000160368374 608659207 /nfs/dbraw/zinc/65/92/07/608659207.db2.gz GIOZTABPEHXQIU-CYBMUJFWSA-N 0 0 338.383 0.728 10 0 ECAERN COC(=O)[C@@H]1C[C@@H](Nc2nc(C(C)(C)C)nc3c2cnn3C)CN1 ZINC000072126690 608699056 /nfs/dbraw/zinc/69/90/56/608699056.db2.gz XUVFEXLOQQLMMW-KOLCDFICSA-N 0 0 332.408 0.976 10 0 ECAERN CCCn1cc(NC(=O)C(=O)N[C@@H]2CCc3nc(CC)nn3C2)cn1 ZINC000158373822 608827231 /nfs/dbraw/zinc/82/72/31/608827231.db2.gz RGOIYLWLAQGRRJ-LLVKDONJSA-N 0 0 345.407 0.517 10 0 ECAERN CCCn1cc(NC(=O)C(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)cn1 ZINC000180249228 608971148 /nfs/dbraw/zinc/97/11/48/608971148.db2.gz PDNBBNQJESMUTO-UKRRQHHQSA-N 0 0 349.435 0.411 10 0 ECAERN CC(=O)N1Cc2cccnc2[C@@H](C(=O)NCCCn2cccn2)C1 ZINC000222624463 609101021 /nfs/dbraw/zinc/10/10/21/609101021.db2.gz GUWQOYHIKAEWNY-HNNXBMFYSA-N 0 0 327.388 0.930 10 0 ECAERN Cc1noc(-c2cncn(CCC(=O)N3C[C@@H](C)O[C@H](C)C3)c2=O)n1 ZINC000222848068 609125533 /nfs/dbraw/zinc/12/55/33/609125533.db2.gz ZUWZUWFYQLVNBV-GHMZBOCLSA-N 0 0 347.375 0.628 10 0 ECAERN O=C(Cc1cc(F)cc2c1OCOC2)N[C@@H]1C[C@@H](O)[C@@H]1n1cccn1 ZINC000909158979 609679220 /nfs/dbraw/zinc/67/92/20/609679220.db2.gz AWWXIXGDITZVAX-IIAWOOMASA-N 0 0 347.346 0.922 10 0 ECAERN COc1cccc([C@@H](O)C(=O)N2CCO[C@H](Cn3cccn3)C2)c1 ZINC000163986717 609696475 /nfs/dbraw/zinc/69/64/75/609696475.db2.gz VHGPMUGBXMSQKM-JKSUJKDBSA-N 0 0 331.372 0.853 10 0 ECAERN CN(CCO)C(=O)[C@@H]1CN(C(=O)c2ccco2)Cc2cccnc21 ZINC000222682499 609703088 /nfs/dbraw/zinc/70/30/88/609703088.db2.gz IFGKPKKVQLEARY-CYBMUJFWSA-N 0 0 329.356 0.865 10 0 ECAERN Cc1noc(-c2cncn(CCC(=O)NC[C@@H]3CCCO3)c2=O)n1 ZINC000222846869 609705292 /nfs/dbraw/zinc/70/52/92/609705292.db2.gz OHGNPDTXQQONEM-NSHDSACASA-N 0 0 333.348 0.287 10 0 ECAERN Cc1ccc([C@H]2[C@@H](C(=O)NCC3(CO)CC3)OCC(=O)N2C)cc1 ZINC000223224914 609708941 /nfs/dbraw/zinc/70/89/41/609708941.db2.gz CHLSCUXKBLCTJE-HOTGVXAUSA-N 0 0 332.400 0.782 10 0 ECAERN CCn1ccc(C(=O)NCC2(CN3CCOCC3)CCOCC2)n1 ZINC000223609818 609713005 /nfs/dbraw/zinc/71/30/05/609713005.db2.gz FLOVZNVZTWXRFZ-UHFFFAOYSA-N 0 0 336.436 0.762 10 0 ECAERN CNC(=O)[C@@H]1CN(C(=O)NCc2ccco2)C[C@H]1c1nc(C)no1 ZINC000169783944 609746167 /nfs/dbraw/zinc/74/61/67/609746167.db2.gz QZTVCCNBTAUGPJ-VXGBXAGGSA-N 0 0 333.348 0.642 10 0 ECAERN O=S(=O)(c1cccnc1Cl)N1CC[C@H](N2CCOCC2)C1 ZINC000062976649 609775518 /nfs/dbraw/zinc/77/55/18/609775518.db2.gz KOFHBBJDRYLRQC-NSHDSACASA-N 0 0 331.825 0.830 10 0 ECAERN CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N2[C@@H](CO)CC[C@@H]2CO)C1 ZINC000912235432 609939179 /nfs/dbraw/zinc/93/91/79/609939179.db2.gz VQDPATNYBHYWNS-BFHYXJOUSA-N 0 0 342.436 0.978 10 0 ECAERN C[C@@H]1CCO[C@@H]1C(=O)N1CCN(C[C@H]2CCCS2(=O)=O)CC1 ZINC000913124120 610040769 /nfs/dbraw/zinc/04/07/69/610040769.db2.gz WBXMVIBPUJOAPC-MCIONIFRSA-N 0 0 330.450 0.133 10 0 ECAERN O=C(NC[C@]1(CO)COCCN1)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000913187616 610048784 /nfs/dbraw/zinc/04/87/84/610048784.db2.gz CVDZSQWXNKXXPL-WQGACYEGSA-N 0 0 326.343 0.535 10 0 ECAERN COc1ccc(C[C@@H](C)OC(=O)Cn2ccc(=O)n(C)c2=O)cc1 ZINC000077562730 611769282 /nfs/dbraw/zinc/76/92/82/611769282.db2.gz KHIZLJLQBCRKNP-GFCCVEGCSA-N 0 0 332.356 0.730 10 0 ECAERN COCCN1CCN(C(=O)c2cc(Br)nn2C)C[C@H]1C ZINC000192122876 611909940 /nfs/dbraw/zinc/90/99/40/611909940.db2.gz FOXWRZBOJPCHAG-SNVBAGLBSA-N 0 0 345.241 0.975 10 0 ECAERN COc1cccc(C2=NO[C@H](C(=O)N[C@@H]3CCc4ncnn4C3)C2)c1 ZINC000194302259 612168330 /nfs/dbraw/zinc/16/83/30/612168330.db2.gz LAKVLBVBLJBOCU-DOMZBBRYSA-N 0 0 341.371 0.911 10 0 ECAERN NC(=O)C1CCN(CC(=O)NC[C@H](O)c2ccccc2Cl)CC1 ZINC000092022062 612533927 /nfs/dbraw/zinc/53/39/27/612533927.db2.gz JBRIODAXEWBSNY-AWEZNQCLSA-N 0 0 339.823 0.687 10 0 ECAERN CC[C@]1(C(C)C)NC(=O)N(CN2CC[C@@H](N3CCOCC3)C2)C1=O ZINC000246846668 612824504 /nfs/dbraw/zinc/82/45/04/612824504.db2.gz DUQCKNNEQZJGOQ-RHSMWYFYSA-N 0 0 338.452 0.707 10 0 ECAERN CC(C)N1C[C@@H](C)[C@H](NC(=O)CS[C@@H]2CCS(=O)(=O)C2)C1 ZINC000247374943 612910714 /nfs/dbraw/zinc/91/07/14/612910714.db2.gz PJYBBUZWOAUKJC-JHJVBQTASA-N 0 0 334.507 0.752 10 0 ECAERN Nc1cc(Br)ccc1S(=O)(=O)N[C@H]1CCCNC1=O ZINC000050397264 214055896 /nfs/dbraw/zinc/05/58/96/214055896.db2.gz RJRPCJNEOLMFMR-VIFPVBQESA-N 0 0 348.222 0.588 10 0 ECAERN Nc1ncc(Br)cc1S(=O)(=O)NC[C@H]1CCCO1 ZINC000050635345 214061537 /nfs/dbraw/zinc/06/15/37/214061537.db2.gz YAQQUIRUXBKDAE-MRVPVSSYSA-N 0 0 336.211 0.884 10 0 ECAERN CSCCNC(=O)C[C@H]1C(=O)NCCN1Cc1cccc(F)c1 ZINC000055182863 214284761 /nfs/dbraw/zinc/28/47/61/214284761.db2.gz OWOXMBHGPKSTPE-AWEZNQCLSA-N 0 0 339.436 0.995 10 0 ECAERN CCC(CC)[C@@H](C(=O)NC[C@H]1CN(C)CCO1)N1CCOCC1 ZINC000173337789 282224167 /nfs/dbraw/zinc/22/41/67/282224167.db2.gz MYNSXNTVKUKFDG-HOTGVXAUSA-N 0 0 327.469 0.570 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)[C@@H]2CC(c3cccnc3)=NO2)CC1 ZINC000191388991 529699385 /nfs/dbraw/zinc/69/93/85/529699385.db2.gz ALLITFVDJSEBHJ-HOCLYGCPSA-N 0 0 332.404 0.490 10 0 ECAERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1cnc2ccccc2c1 ZINC000166744571 529901633 /nfs/dbraw/zinc/90/16/33/529901633.db2.gz UYNVXMKGSHPHTL-AWEZNQCLSA-N 0 0 326.356 0.910 10 0 ECAERN CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1cccc2cnccc21 ZINC000166719524 529923093 /nfs/dbraw/zinc/92/30/93/529923093.db2.gz JRLHCDJZKBMVQG-CQSZACIVSA-N 0 0 326.356 0.910 10 0 ECAERN CCCCNC(=O)NC(=O)CN1CCC[C@@H](NC(=O)CCC)C1 ZINC000101564403 219137122 /nfs/dbraw/zinc/13/71/22/219137122.db2.gz KKSJFDRCYGUUCK-CYBMUJFWSA-N 0 0 326.441 0.993 10 0 ECAERN CNS(=O)(=O)CC(=O)N1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000175220924 530013568 /nfs/dbraw/zinc/01/35/68/530013568.db2.gz FRFWTBADEHCWCR-KGLIPLIRSA-N 0 0 326.418 0.650 10 0 ECAERN CNS(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2Cn2ccnc2)co1 ZINC000155276167 530025125 /nfs/dbraw/zinc/02/51/25/530025125.db2.gz PHWSKWJZHAPYAN-GFCCVEGCSA-N 0 0 338.389 0.689 10 0 ECAERN CNS(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2c2cnn(C)c2)co1 ZINC000130484454 530025148 /nfs/dbraw/zinc/02/51/48/530025148.db2.gz CBKJKLZZWRAQGE-GFCCVEGCSA-N 0 0 338.389 0.899 10 0 ECAERN C[C@H](NC(=O)N1CCS(=O)(=O)C[C@H]1c1cnn(C)c1)C1CC1 ZINC000189413098 299114817 /nfs/dbraw/zinc/11/48/17/299114817.db2.gz BHSUYDOIONMEKD-GWCFXTLKSA-N 0 0 326.422 0.700 10 0 ECAERN O=S1(=O)CCN(C[C@@H](O)COCc2ccc(Cl)cc2)CC1 ZINC000103266385 219279130 /nfs/dbraw/zinc/27/91/30/219279130.db2.gz BVRFGDXRXJGOIC-CQSZACIVSA-N 0 0 333.837 0.948 10 0 ECAERN COC[C@H](C)C(=O)NCC(=O)N1CCN(Cc2ccccc2)CC1 ZINC000103433639 219298128 /nfs/dbraw/zinc/29/81/28/219298128.db2.gz YOGUCFUUGCKFBJ-HNNXBMFYSA-N 0 0 333.432 0.730 10 0 ECAERN COC[C@H](C)C(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 ZINC000103433249 219298784 /nfs/dbraw/zinc/29/87/84/219298784.db2.gz KWIJWNWBXSGTNM-AWEZNQCLSA-N 0 0 334.420 0.519 10 0 ECAERN O=C(NCCNC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1)c1ccn[nH]1 ZINC000181704930 234292822 /nfs/dbraw/zinc/29/28/22/234292822.db2.gz DZXHJYOGDPRKJD-LRDDRELGSA-N 0 0 335.408 0.476 10 0 ECAERN CCCNC(=O)Cn1c(CCNC(=O)COC)nc2ccccc21 ZINC000040299219 213290065 /nfs/dbraw/zinc/29/00/65/213290065.db2.gz YFUXEYJQGZUDCJ-UHFFFAOYSA-N 0 0 332.404 0.868 10 0 ECAERN O=C(NCC(F)(F)CO)N[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000184165333 235321020 /nfs/dbraw/zinc/32/10/20/235321020.db2.gz GYXWCMYQCLELDV-SNVBAGLBSA-N 0 0 334.344 0.832 10 0 ECAERN COCC(=O)NC1CN(C(=O)Cc2ccccc2OC(F)F)C1 ZINC000185217266 235616106 /nfs/dbraw/zinc/61/61/06/235616106.db2.gz SFDHOTREIOSYAM-UHFFFAOYSA-N 0 0 328.315 0.804 10 0 ECAERN CCN(CCCNc1ccccc1S(N)(=O)=O)S(C)(=O)=O ZINC000038035931 213193993 /nfs/dbraw/zinc/19/39/93/213193993.db2.gz JQXDNQHEFHTLNV-UHFFFAOYSA-N 0 0 335.451 0.418 10 0 ECAERN Cc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1cnn(CC(F)F)c1 ZINC000187392668 236198083 /nfs/dbraw/zinc/19/80/83/236198083.db2.gz VFHDZWGHBSNJCA-JTQLQIEISA-N 0 0 346.363 0.862 10 0 ECAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCN(CC(C)C)C(=O)C1 ZINC000187475403 236220424 /nfs/dbraw/zinc/22/04/24/236220424.db2.gz WEYHAYOJEQEXOZ-ZDUSSCGKSA-N 0 0 334.424 0.931 10 0 ECAERN NC(=O)[C@@H]1COCCN1C(=O)c1cn(-c2cccc(Cl)c2)nn1 ZINC000188987363 283328836 /nfs/dbraw/zinc/32/88/36/283328836.db2.gz VNDORJTXROKRLC-LBPRGKRZSA-N 0 0 335.751 0.247 10 0 ECAERN O=C(CN1CCN(C(=O)c2ccco2)CC1)NCCc1ccccn1 ZINC000034685410 212982233 /nfs/dbraw/zinc/98/22/33/212982233.db2.gz NSPUZGQQKYYOBH-UHFFFAOYSA-N 0 0 342.399 0.791 10 0 ECAERN Cn1cc2ncn(C[C@H]3CCCN(c4ncccn4)C3)c(=O)c2n1 ZINC000072122231 216015677 /nfs/dbraw/zinc/01/56/77/216015677.db2.gz OZNFUIOUDJVZLW-LBPRGKRZSA-N 0 0 325.376 0.837 10 0 ECAERN CCc1onc(C)c1NC(=O)C(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000131528870 223243552 /nfs/dbraw/zinc/24/35/52/223243552.db2.gz QBNWTVBTWKBURA-LLVKDONJSA-N 0 0 332.364 0.939 10 0 ECAERN CCc1onc(C)c1NC(=O)C(=O)N1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000132143471 223305154 /nfs/dbraw/zinc/30/51/54/223305154.db2.gz SLPAIQHENODDGU-GHMZBOCLSA-N 0 0 338.408 0.397 10 0 ECAERN C[C@H](O)CN1CCN(S(=O)(=O)c2ccc(Cl)nc2)C[C@@H]1C ZINC000246212156 243212828 /nfs/dbraw/zinc/21/28/28/243212828.db2.gz SCGVLKQDMPGHQW-QWRGUYRKSA-N 0 0 333.841 0.811 10 0 ECAERN Nc1nnc(CNC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)s1 ZINC000020202363 212110942 /nfs/dbraw/zinc/11/09/42/212110942.db2.gz DIEOFNWFCDJCBR-QMMMGPOBSA-N 0 0 335.364 0.929 10 0 ECAERN O=C(NC[C@H]1CCCC[C@@H]1O)C(=O)Nc1cccnc1-n1cccn1 ZINC000077937438 217002927 /nfs/dbraw/zinc/00/29/27/217002927.db2.gz DLOGJRIUCUTDOC-OCCSQVGLSA-N 0 0 343.387 0.873 10 0 ECAERN Cc1cccc2nc(CN3CCO[C@H](C[N@@H+](C)CC(=O)[O-])C3)cn21 ZINC000262876906 245228267 /nfs/dbraw/zinc/22/82/67/245228267.db2.gz MZCAYLFPMPCUMV-OAHLLOKOSA-N 0 0 332.404 0.860 10 0 ECAERN CCC1CCC(NC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)CC1 ZINC000078233469 217032422 /nfs/dbraw/zinc/03/24/22/217032422.db2.gz RSYNVZYZVAAYAY-UHFFFAOYSA-N 0 0 347.419 0.519 10 0 ECAERN CS(=O)(=O)c1ccc(C(=O)N2CCO[C@@H](Cn3cccn3)C2)cc1 ZINC000111083929 220097461 /nfs/dbraw/zinc/09/74/61/220097461.db2.gz ONSROYQUMGTBDU-CQSZACIVSA-N 0 0 349.412 0.828 10 0 ECAERN C[C@H](O)C1CCN(C(=O)C(=O)Nc2ccc(-n3cccn3)nc2)CC1 ZINC000111920469 220224447 /nfs/dbraw/zinc/22/44/47/220224447.db2.gz FXQSMEBQYHOFLF-LBPRGKRZSA-N 0 0 343.387 0.825 10 0 ECAERN Cc1cnn(C[C@@H]2CN(C(=O)c3cccc(C(N)=O)c3)CCO2)c1 ZINC000112063866 220236456 /nfs/dbraw/zinc/23/64/56/220236456.db2.gz JYYWZLCAXFIBPA-HNNXBMFYSA-N 0 0 328.372 0.832 10 0 ECAERN CNC(=O)c1ccc(N2CCCN(c3ccc(C)nn3)CC2)nn1 ZINC000266838173 248470366 /nfs/dbraw/zinc/47/03/66/248470366.db2.gz KNOIXSHDFVHKHX-UHFFFAOYSA-N 0 0 327.392 0.651 10 0 ECAERN CC(C)=CC(=O)N1CC[N@@H+](C)[C@@]2(C1)CCC(=O)N(CC(=O)[O-])CC2 ZINC000091563263 218022404 /nfs/dbraw/zinc/02/24/04/218022404.db2.gz WPRVVFYYEABJFK-KRWDZBQOSA-N 0 0 337.420 0.563 10 0 ECAERN NC(=O)[C@H]1COCCN1CC(=O)Nc1ccc(N2CCCC2)cc1 ZINC000092228938 218127652 /nfs/dbraw/zinc/12/76/52/218127652.db2.gz UOHDPCZAQJFASB-OAHLLOKOSA-N 0 0 332.404 0.411 10 0 ECAERN CN1CCCc2cc(NC(=O)NC[C@@H](O)CN3CCOCC3)ccc21 ZINC000092599493 218153543 /nfs/dbraw/zinc/15/35/43/218153543.db2.gz WFUABIOXPAIEIS-MRXNPFEDSA-N 0 0 348.447 0.884 10 0 ECAERN O=C(c1cnccn1)N1CC[C@@H]2[C@@H](CO[C@H]2CNc2ncccn2)C1 ZINC000096185383 284750581 /nfs/dbraw/zinc/75/05/81/284750581.db2.gz JAXIHCDLNKWTBY-NFAWXSAZSA-N 0 0 340.387 0.856 10 0 ECAERN CN1CCO[C@H](CNC(=O)[C@@H]2CC(c3cc(F)ccc3F)=NO2)C1 ZINC000112195854 220257782 /nfs/dbraw/zinc/25/77/82/220257782.db2.gz FFQNAQYHCMFORQ-ABAIWWIYSA-N 0 0 339.342 0.905 10 0 ECAERN COCCN1CCN(C(=O)[C@@H]2CC(c3cccnc3)=NO2)C[C@H]1C ZINC000191888637 532955104 /nfs/dbraw/zinc/95/51/04/532955104.db2.gz NMGZTEJYFPBMJN-CJNGLKHVSA-N 0 0 332.404 0.754 10 0 ECAERN CNC(=O)[C@H](NC(=O)N[C@H]1CCN(CC(F)(F)F)C1=O)C(C)C ZINC000178436856 207688594 /nfs/dbraw/zinc/68/85/94/207688594.db2.gz GZKMGEYWWDMQQT-DTWKUNHWSA-N 0 0 338.330 0.219 10 0 ECAERN CNc1cc(N2CCC[C@@H]2CNC(=O)N(C)CC2(CO)CC2)ncn1 ZINC000187225746 533049924 /nfs/dbraw/zinc/04/99/24/533049924.db2.gz JIYNYUQVQRALEU-CYBMUJFWSA-N 0 0 348.451 0.901 10 0 ECAERN NS(=O)(=O)OCCCCCCCCCCOS(N)(=O)=O ZINC000005113104 210391042 /nfs/dbraw/zinc/39/10/42/210391042.db2.gz XPDWKENHTJHZSC-UHFFFAOYSA-N 0 0 332.444 0.547 10 0 in-vivo ECAERN O=C(CCS(=O)(=O)C1CCCC1)N[C@@H]1CCc2ncnn2C1 ZINC000112650917 220364293 /nfs/dbraw/zinc/36/42/93/220364293.db2.gz KZVLSKDVELUAIU-LLVKDONJSA-N 0 0 326.422 0.457 10 0 ECAERN Cc1ccc(-c2nnn(CC(=O)N[C@H]3CCc4ncnn4C3)n2)cc1 ZINC000112655672 220365191 /nfs/dbraw/zinc/36/51/91/220365191.db2.gz LOVFFPNRUXLNIX-ZDUSSCGKSA-N 0 0 338.375 0.371 10 0 ECAERN O=C(CCc1nc(-c2ccco2)no1)N[C@H]1CCc2ncnn2C1 ZINC000112662627 220368095 /nfs/dbraw/zinc/36/80/95/220368095.db2.gz XSPUDDWFCJCJGP-JTQLQIEISA-N 0 0 328.332 0.985 10 0 ECAERN O=C(NCCCN1CCCCCC1=O)N[C@H]1CCc2ncnn2C1 ZINC000112740635 220391632 /nfs/dbraw/zinc/39/16/32/220391632.db2.gz QJUDOEJEYMCPCU-ZDUSSCGKSA-N 0 0 334.424 0.685 10 0 ECAERN O=C(CCNC(=O)N[C@H]1CCc2ncnn2C1)NCc1ccccc1 ZINC000112747148 220395094 /nfs/dbraw/zinc/39/50/94/220395094.db2.gz XTFQXJWIHZBLGZ-AWEZNQCLSA-N 0 0 342.403 0.599 10 0 ECAERN Cc1nn(C)c2ncc(S(=O)(=O)N[C@H]3CCc4ncnn4C3)cc12 ZINC000113298656 220516623 /nfs/dbraw/zinc/51/66/23/220516623.db2.gz DDBFCMRRAIRNRH-JTQLQIEISA-N 0 0 347.404 0.162 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)N[C@@H]1CCN(C(C)C)C1=O)CC2 ZINC000114970210 220795447 /nfs/dbraw/zinc/79/54/47/220795447.db2.gz NVJPUPKJCONCMM-VXGBXAGGSA-N 0 0 334.424 0.464 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)NC[C@H](O)COCC(C)C)CC2 ZINC000114975533 220795818 /nfs/dbraw/zinc/79/58/18/220795818.db2.gz ZAFUPADHCQRQCI-OLZOCXBDSA-N 0 0 339.440 0.488 10 0 ECAERN CCOCCN1CCN(c2ncc(S(N)(=O)=O)s2)C[C@@H]1CC ZINC000116871213 221001228 /nfs/dbraw/zinc/00/12/28/221001228.db2.gz JIXOMMWYPVMARK-NSHDSACASA-N 0 0 348.494 0.728 10 0 ECAERN CCOCCN1CCN(C(=O)c2cccc(-n3cnnn3)c2)C[C@@H]1C ZINC000117280190 221041507 /nfs/dbraw/zinc/04/15/07/221041507.db2.gz YSOXNEKMUXIEAV-AWEZNQCLSA-N 0 0 344.419 0.845 10 0 ECAERN COCCN1CCN(C(=O)NCc2nnc3n2CCCC3)C[C@H]1C ZINC000117481484 221070090 /nfs/dbraw/zinc/07/00/90/221070090.db2.gz XWTNQGAPAHBADE-CYBMUJFWSA-N 0 0 336.440 0.477 10 0 ECAERN CC(C)CC(=O)N[C@@H](C(=O)Nc1ccn(CCC(N)=O)n1)C(C)C ZINC000117701306 221083390 /nfs/dbraw/zinc/08/33/90/221083390.db2.gz XAIUNQUUVACMJX-OAHLLOKOSA-N 0 0 337.424 0.884 10 0 ECAERN COCCN1CCN(C(=O)NCc2cccc(C(N)=O)c2)C[C@@H]1C ZINC000117478279 221068137 /nfs/dbraw/zinc/06/81/37/221068137.db2.gz ODGMRWQYHMBQGR-ZDUSSCGKSA-N 0 0 334.420 0.648 10 0 ECAERN C[C@@H](NC(=O)c1ccco1)C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000117831109 221093559 /nfs/dbraw/zinc/09/35/59/221093559.db2.gz VLAPXTAQPJNABC-PWSUYJOCSA-N 0 0 345.359 0.053 10 0 ECAERN CC[C@@H]1CN(C(=O)C(=O)Nc2ccc(C)nc2)CCN1CCOC ZINC000119414995 221314503 /nfs/dbraw/zinc/31/45/03/221314503.db2.gz SOUPMFSGSBKSBM-OAHLLOKOSA-N 0 0 334.420 0.898 10 0 ECAERN O=C(c1ccnnc1)N1CC[C@H]2OCCN(Cc3ccncc3)[C@@H]2C1 ZINC000247889728 257675703 /nfs/dbraw/zinc/67/57/03/257675703.db2.gz YBGUQKFHKYJPLD-IAGOWNOFSA-N 0 0 339.399 0.987 10 0 ECAERN Cc1nnc(NC(=O)N[C@@H]2CCCN(c3nccn(C)c3=O)C2)s1 ZINC000275655623 135635557 /nfs/dbraw/zinc/63/55/57/135635557.db2.gz KVIHAOCYRVFCOE-SNVBAGLBSA-N 0 0 349.420 0.731 10 0 ECAERN O=C(Nc1ccc(Cn2cncn2)cc1)C(=O)N1CCC[C@@H]1CO ZINC000121163752 296647123 /nfs/dbraw/zinc/64/71/23/296647123.db2.gz UIAHJJMMNXMUJJ-CQSZACIVSA-N 0 0 329.360 0.248 10 0 ECAERN Cc1cc(O)cc(=O)n1CC(=O)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000151639697 164731564 /nfs/dbraw/zinc/73/15/64/164731564.db2.gz DBLOTZCNGOCGOM-LBPRGKRZSA-N 0 0 345.403 0.708 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)CNC(=O)c1ccccn1)CC2 ZINC000172551339 164844340 /nfs/dbraw/zinc/84/43/40/164844340.db2.gz AODKQGOCLXREPP-LLVKDONJSA-N 0 0 328.376 0.097 10 0 ECAERN O=C(CSC[C@@H](O)CO)N1CCN(c2ccccc2F)CC1 ZINC000177423027 164903710 /nfs/dbraw/zinc/90/37/10/164903710.db2.gz DTDZCYOTNXEILB-LBPRGKRZSA-N 0 0 328.409 0.561 10 0 ECAERN COC(=O)Cc1cccc(C(=O)N2CC[C@H](N3CCOCC3)C2)c1 ZINC000189197075 165007240 /nfs/dbraw/zinc/00/72/40/165007240.db2.gz RXPCDIGZXNPZOD-INIZCTEOSA-N 0 0 332.400 0.949 10 0 ECAERN C[C@@H]1C(=O)NCCCN1CC(=O)Nc1ccccc1C(=O)NC1CC1 ZINC000189274464 165008740 /nfs/dbraw/zinc/00/87/40/165008740.db2.gz DSLVKQNGDNDUEP-GFCCVEGCSA-N 0 0 344.415 0.728 10 0 ECAERN CCOCCOCCN(C)C(=O)N[C@H]1CCc2nc(CC)nn2C1 ZINC000189649389 165013732 /nfs/dbraw/zinc/01/37/32/165013732.db2.gz UNZNBCNYZIVACA-ZDUSSCGKSA-N 0 0 339.440 0.850 10 0 ECAERN Cc1nc(CC(C)C)oc1C(=O)NC[C@@H](O)CN1CCOCC1 ZINC000190101268 165018369 /nfs/dbraw/zinc/01/83/69/165018369.db2.gz HGWXPGSNJKLAGR-CYBMUJFWSA-N 0 0 325.409 0.604 10 0 ECAERN CC(=O)NC1CN(C(=O)[C@@H]2CC(=O)N(c3ccc(F)c(C)c3)C2)C1 ZINC000190457108 165020666 /nfs/dbraw/zinc/02/06/66/165020666.db2.gz YBNYXVPLKPLGAS-GFCCVEGCSA-N 0 0 333.363 0.834 10 0 ECAERN C[C@H]1C(=O)NCCCN1C(=O)C(=O)Nc1ccc2ccn(C)c2c1 ZINC000190665632 165023472 /nfs/dbraw/zinc/02/34/72/165023472.db2.gz IDRJRPRPNUMFDY-NSHDSACASA-N 0 0 328.372 0.854 10 0 ECAERN C[C@H]1C(=O)NCCCN1C(=O)C(=O)Nc1ccc2scnc2c1 ZINC000190674240 165024458 /nfs/dbraw/zinc/02/44/58/165024458.db2.gz VMXYINHKDHQMQL-VIFPVBQESA-N 0 0 332.385 0.972 10 0 ECAERN C[C@@H]1C(=O)NCCCN1C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000191215733 165031173 /nfs/dbraw/zinc/03/11/73/165031173.db2.gz DAIJYZURPXRYMG-CQSZACIVSA-N 0 0 345.447 0.966 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)[C@H]1CC(c3cccnc3)=NO1)CC2 ZINC000191834479 165037345 /nfs/dbraw/zinc/03/73/45/165037345.db2.gz AZDZSFQVMUCSCB-GXTWGEPZSA-N 0 0 340.387 0.860 10 0 ECAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NC[C@H](C)N1CCc2ccccc21 ZINC000192632630 165046934 /nfs/dbraw/zinc/04/69/34/165046934.db2.gz KDTMLZPOWHKQHT-XGWLTEMNSA-N 0 0 331.416 0.536 10 0 ECAERN CC[C@@H](O)CN(Cc1ccccc1)C(=O)[C@H]1C[C@@H](O)CN1C(C)=O ZINC000193616521 165056935 /nfs/dbraw/zinc/05/69/35/165056935.db2.gz JYOUQZDXAPTSSR-BRWVUGGUSA-N 0 0 334.416 0.768 10 0 ECAERN CN1CCO[C@H](CNC(=O)C2CCN(C(=O)N3CCCC3)CC2)C1 ZINC000194611574 165069197 /nfs/dbraw/zinc/06/91/97/165069197.db2.gz LRLBCACRUKXWIH-OAHLLOKOSA-N 0 0 338.452 0.361 10 0 ECAERN Cc1ccc(N2C[C@H](C(=O)NC[C@@H]3CN(C)CCO3)CC2=O)cc1 ZINC000194638362 165070118 /nfs/dbraw/zinc/07/01/18/165070118.db2.gz HEZSRDBUOYUVCF-GDBMZVCRSA-N 0 0 331.416 0.795 10 0 ECAERN CCCCOC[C@@H](O)CN1CCC(N2CCS(=O)(=O)CC2)CC1 ZINC000195215656 165077591 /nfs/dbraw/zinc/07/75/91/165077591.db2.gz XMDXPPHSLTWIOI-INIZCTEOSA-N 0 0 348.509 0.359 10 0 ECAERN Cc1ccnc2nc(C(=O)N[C@H]3CCc4nnc(C(C)C)n4C3)nn21 ZINC000195265414 165079825 /nfs/dbraw/zinc/07/98/25/165079825.db2.gz OMSONWXXPKNRNE-NSHDSACASA-N 0 0 340.391 0.892 10 0 ECAERN COCCn1c(C)c(C)nc1S(=O)(=O)Cc1nnnn1C(C)C ZINC000195479364 165083380 /nfs/dbraw/zinc/08/33/80/165083380.db2.gz NPCDYSPSIZXVIZ-UHFFFAOYSA-N 0 0 342.425 0.688 10 0 ECAERN O=C(CN1CC[C@H](CNc2ccccn2)C1)NCC(=O)N1CCCC1 ZINC000195515876 165083519 /nfs/dbraw/zinc/08/35/19/165083519.db2.gz UISCRLXUESGGAO-OAHLLOKOSA-N 0 0 345.447 0.554 10 0 ECAERN NC(=O)[C@@H]1COCCN1C[C@H](O)COCc1ccccc1Cl ZINC000246081653 165123849 /nfs/dbraw/zinc/12/38/49/165123849.db2.gz HXXNIOLKYHUPOD-JSGCOSHPSA-N 0 0 328.796 0.404 10 0 ECAERN COC(=O)CCNC(=O)CN1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000246612554 165139527 /nfs/dbraw/zinc/13/95/27/165139527.db2.gz HVUCIXFDGINECG-FZMZJTMJSA-N 0 0 342.342 0.752 10 0 ECAERN COc1cccc([C@H](O)C(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)c1 ZINC000246605580 165140074 /nfs/dbraw/zinc/14/00/74/165140074.db2.gz GYKPDXJXBZQPGH-XYPHTWIQSA-N 0 0 334.416 0.908 10 0 ECAERN NC(=O)[C@@H]1COCCN1C[C@@H](O)COc1cccc2ccccc21 ZINC000246772746 165142757 /nfs/dbraw/zinc/14/27/57/165142757.db2.gz PXODWKKPRAULDC-ZBFHGGJFSA-N 0 0 330.384 0.766 10 0 ECAERN C[C@H](O)CN1CCN(C(=O)C(=O)NCCCc2ccccc2)C[C@@H]1C ZINC000246769493 165143295 /nfs/dbraw/zinc/14/32/95/165143295.db2.gz PHOTZTDGVJBADH-HOTGVXAUSA-N 0 0 347.459 0.649 10 0 ECAERN COCCN1CCN([C@H](C)C(=O)NC(=O)NCC(C)C)C[C@@H]1C ZINC000247140953 165155400 /nfs/dbraw/zinc/15/54/00/165155400.db2.gz KZNIHQPAHPWKAG-UONOGXRCSA-N 0 0 328.457 0.509 10 0 ECAERN C[C@@H](NC(=O)c1ccco1)C(=O)N1CCNC[C@H]1c1nccn1C ZINC000261832289 165249263 /nfs/dbraw/zinc/24/92/63/165249263.db2.gz ZDQJGQZMWJHVBP-NEPJUHHUSA-N 0 0 331.376 0.305 10 0 ECAERN O=C(Cn1ncc(=O)c2ccccc21)N1CCNC[C@@H]1c1cccnc1 ZINC000262084383 165286980 /nfs/dbraw/zinc/28/69/80/165286980.db2.gz XYWXWPYCKSOQEF-QGZVFWFLSA-N 0 0 349.394 0.965 10 0 ECAERN NCc1nc(CN2CCN(S(=O)(=O)c3ccccc3)CC2)no1 ZINC000262135762 165296646 /nfs/dbraw/zinc/29/66/46/165296646.db2.gz DLMBOIVQNIILDB-UHFFFAOYSA-N 0 0 337.405 0.035 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NS(=O)(=O)c2sccc2OC)C1 ZINC000262459538 165352054 /nfs/dbraw/zinc/35/20/54/165352054.db2.gz JNUWCDHOYLUHDW-UHFFFAOYSA-N 0 0 348.446 0.973 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NS(=O)(=O)CC2CCOCC2)C1 ZINC000262451025 165352126 /nfs/dbraw/zinc/35/21/26/165352126.db2.gz FUTGQEXWCDQXKO-UHFFFAOYSA-N 0 0 334.438 0.270 10 0 ECAERN O=C([C@H]1CC(F)(F)CN1)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000262728424 165377860 /nfs/dbraw/zinc/37/78/60/165377860.db2.gz BFKYCPSECMQVSH-VXGBXAGGSA-N 0 0 331.363 0.081 10 0 ECAERN CCc1nc(C)c(C(=O)N2CCO[C@H](C[N@H+](C)CC(=O)[O-])C2)s1 ZINC000262870296 165396975 /nfs/dbraw/zinc/39/69/75/165396975.db2.gz CSPAXNAUXMDXJW-LLVKDONJSA-N 0 0 341.433 0.871 10 0 ECAERN COC(=O)CN1CCN(c2ccccc2S(=O)(=O)C(F)F)CC1 ZINC000301495929 296887269 /nfs/dbraw/zinc/88/72/69/296887269.db2.gz AZTOTHCMEFJPKD-UHFFFAOYSA-N 0 0 348.371 0.978 10 0 ECAERN O=C(NC[C@H](O)CN1CCOCC1)c1cc(-c2cccs2)n[nH]1 ZINC000122600054 222120951 /nfs/dbraw/zinc/12/09/51/222120951.db2.gz IJSDJJZQIOUEFU-NSHDSACASA-N 0 0 336.417 0.561 10 0 ECAERN COCCn1cc(NC(=O)N2CCO[C@@H](Cn3cccn3)C2)cn1 ZINC000171816771 227298265 /nfs/dbraw/zinc/29/82/65/227298265.db2.gz DONWZDGILQHAFM-CQSZACIVSA-N 0 0 334.380 0.659 10 0 ECAERN NS(=O)(=O)c1ccc(NS(=O)(=O)N2CCCCCC2)cc1 ZINC000040216940 263140635 /nfs/dbraw/zinc/14/06/35/263140635.db2.gz ZTBFDSVTMVPFSL-UHFFFAOYSA-N 0 0 333.435 0.867 10 0 ECAERN CNc1cc(N2CCC[C@H]2CNC(=O)CCn2ccnn2)ncn1 ZINC000173415224 263149004 /nfs/dbraw/zinc/14/90/04/263149004.db2.gz YKBZZTMTZWTJRT-LBPRGKRZSA-N 0 0 330.396 0.285 10 0 ECAERN CC[C@H](C(=O)N1CCO[C@@H](Cn2cc(C)cn2)C1)N1CCCC1=O ZINC000173418972 263149088 /nfs/dbraw/zinc/14/90/88/263149088.db2.gz MIWNVSXCIXZKLG-HUUCEWRRSA-N 0 0 334.420 0.820 10 0 ECAERN CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[nH]2)C1 ZINC000174645991 263150925 /nfs/dbraw/zinc/15/09/25/263150925.db2.gz JJFFQRFVOHKEFB-SNVBAGLBSA-N 0 0 331.376 0.546 10 0 ECAERN CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCC1CN(S(C)(=O)=O)C1 ZINC000188585029 263161986 /nfs/dbraw/zinc/16/19/86/263161986.db2.gz JRQCHTJYPBKVSJ-ZDUSSCGKSA-N 0 0 332.470 0.004 10 0 ECAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)N1C[C@@H](C)O[C@H](CO)C1)CC2 ZINC000189715093 263163745 /nfs/dbraw/zinc/16/37/45/263163745.db2.gz VZKUQILNMACLMP-UPJWGTAASA-N 0 0 337.424 0.508 10 0 ECAERN O=C(NCc1ccc(Cn2ccccc2=O)cc1)[C@@H]1CNC(=O)C1 ZINC000194823632 263169626 /nfs/dbraw/zinc/16/96/26/263169626.db2.gz CHVFVUXFLHCOMJ-HNNXBMFYSA-N 0 0 325.368 0.649 10 0 ECAERN C[C@@H]1NC(=O)CC[C@@H]1NC(=O)Cn1cc(Br)ccc1=O ZINC000282193460 264024149 /nfs/dbraw/zinc/02/41/49/264024149.db2.gz SEZCKUMPNXGPJW-WPRPVWTQSA-N 0 0 342.193 0.394 10 0 ECAERN Cc1ccccc1CN(C)C(=O)CN1CC[C@@](O)(c2cn[nH]n2)C1 ZINC000284875467 264249776 /nfs/dbraw/zinc/24/97/76/264249776.db2.gz RZSUJGWHEUQCCS-KRWDZBQOSA-N 0 0 329.404 0.665 10 0 ECAERN COc1ccc2c(c1)CN(C(=O)[C@]1(O)CCCN(C(C)=O)C1)CC2 ZINC000286208762 264380745 /nfs/dbraw/zinc/38/07/45/264380745.db2.gz OJFWGVUIHSYKNS-SFHVURJKSA-N 0 0 332.400 0.953 10 0 ECAERN C[C@@H](O)CN1CCN(C(=O)C(=O)Nc2ccc(Cl)cn2)C[C@H]1C ZINC000193471166 274267635 /nfs/dbraw/zinc/26/76/35/274267635.db2.gz FWOTTXRAMLJMEN-GHMZBOCLSA-N 0 0 340.811 0.587 10 0 ECAERN CCCS(=O)(=O)N1Cc2ccnn2C[C@@H](c2nc(C)no2)C1 ZINC000096067209 276268071 /nfs/dbraw/zinc/26/80/71/276268071.db2.gz DGUKTJKIFBUNCP-NSHDSACASA-N 0 0 325.394 0.914 10 0 ECAERN CN[C@H](C(=O)NCCc1ccc(NC(C)=O)cc1)c1cnn(C)c1 ZINC000262596258 277296693 /nfs/dbraw/zinc/29/66/93/277296693.db2.gz XASQRZGHXJDOJC-INIZCTEOSA-N 0 0 329.404 0.998 10 0 ECAERN C[C@]1(O)[C@@H](O)[C@H](n2cnc3c2ncnc3NC2CCCC2)O[C@@H]1CO ZINC000013610737 278570100 /nfs/dbraw/zinc/57/01/00/278570100.db2.gz BSUJYKOQGOFUAN-PDUOOLKUSA-N 0 0 349.391 0.182 10 0 ECAERN CNC(=O)CC(=O)NC[C@H](c1cccs1)N1CCO[C@@H](C)C1 ZINC000248463455 290366370 /nfs/dbraw/zinc/36/63/70/290366370.db2.gz AQFSIYHZBCRSTK-NWDGAFQWSA-N 0 0 325.434 0.762 10 0 ECAERN Cn1c(=O)[nH]c(=O)c2cc(C(=O)N3CCCc4ncccc43)cnc21 ZINC000025674044 294135707 /nfs/dbraw/zinc/13/57/07/294135707.db2.gz DISVIHXDIUIVNV-UHFFFAOYSA-N 0 0 337.339 0.610 10 0 ECAERN Cn1cccc(NC(=O)C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)c1=O ZINC000122924948 294369990 /nfs/dbraw/zinc/36/99/90/294369990.db2.gz FSUFRWBCJSCJON-PXAZEXFGSA-N 0 0 333.388 0.477 10 0 ECAERN CCn1cc([C@H]2OCC[C@@H]2NS(=O)(=O)[C@@H]2CCO[C@H]2C)cn1 ZINC000333115152 297111044 /nfs/dbraw/zinc/11/10/44/297111044.db2.gz TWTGIZYPWDEWKQ-SCUASFONSA-N 0 0 329.422 0.830 10 0 ECAERN C[C@@H]1CCN(C(=O)N[C@@H]2CCCN(c3nccn(C)c3=O)C2)C[C@@H]1O ZINC000333295799 297122010 /nfs/dbraw/zinc/12/20/10/297122010.db2.gz LSCSWOAVUMAZJD-MCIONIFRSA-N 0 0 349.435 0.161 10 0 ECAERN CO[C@@H]1COC[C@@H]1N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000333570069 297142529 /nfs/dbraw/zinc/14/25/29/297142529.db2.gz PPRGJFUGUOGCGE-XJKSGUPXSA-N 0 0 334.372 0.587 10 0 ECAERN CC(C)[C@H]1N(C(=O)NCC(=O)N2CCOCC2)C[C@@]12CCCO2 ZINC000334011911 297158634 /nfs/dbraw/zinc/15/86/34/297158634.db2.gz VUZRKOLOQMIMJW-ZBFHGGJFSA-N 0 0 325.409 0.444 10 0 ECAERN CCn1cc(Br)cc1C(=O)N1C[C@@H](OC)C[C@H]1C(N)=O ZINC000345074436 298115088 /nfs/dbraw/zinc/11/50/88/298115088.db2.gz OAINKSHLVHCPLT-UWVGGRQHSA-N 0 0 344.209 0.985 10 0 ECAERN CO[C@@H]1C[C@@H](CO)N(C(=O)CS(=O)(=O)NC2CCC(C)CC2)C1 ZINC000345497361 298163504 /nfs/dbraw/zinc/16/35/04/298163504.db2.gz BGMGESQRYPANGI-CLRIEMFWSA-N 0 0 348.465 0.093 10 0 ECAERN CC[C@@H]1CN(C(=O)[C@@H]2CCCN(C(C)=O)C2)C[C@H]1N1CCOCC1 ZINC000364090643 300325346 /nfs/dbraw/zinc/32/53/46/300325346.db2.gz DMPWQHVSKSJYNN-BRWVUGGUSA-N 0 0 337.464 0.814 10 0 ECAERN CO[C@H]1C[C@H](C(=O)N2CCOC[C@@H]2CC(C)C)N(S(C)(=O)=O)C1 ZINC000365758488 300480829 /nfs/dbraw/zinc/48/08/29/300480829.db2.gz NMPNKMIQDFRTRB-MELADBBJSA-N 0 0 348.465 0.309 10 0 ECAERN Cc1ccccc1NC(=O)Cn1cnc2c1n(C)c(=O)n(C)c2=O ZINC000002684394 435966918 /nfs/dbraw/zinc/96/69/18/435966918.db2.gz FPHFZHCHRSFMTK-UHFFFAOYSA-N 0 0 327.344 0.381 10 0 ECAERN COC(=O)[C@H]1CN(S(C)(=O)=O)CCN1C(=O)C1CCCCC1 ZINC000004270758 435975925 /nfs/dbraw/zinc/97/59/25/435975925.db2.gz JZRCXYVNJCEDPB-GFCCVEGCSA-N 0 0 332.422 0.212 10 0 ECAERN C[C@@H](NC(=O)C(=O)Nc1ccccc1Cn1cncn1)[C@@H]1CCCO1 ZINC000071065490 436001806 /nfs/dbraw/zinc/00/18/06/436001806.db2.gz RXEHOZIGOAHCIB-DOMZBBRYSA-N 0 0 343.387 0.949 10 0 ECAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCCc1nc2c(cccc2C)o1 ZINC000373510641 301065463 /nfs/dbraw/zinc/06/54/63/301065463.db2.gz UFPFKKKPPHNEHG-CHWSQXEVSA-N 0 0 331.372 0.777 10 0 ECAERN CO[C@@H]1[C@H](C)[C@H](NC(=O)N2CCOC[C@H]2c2ncnn2C)C1(C)C ZINC000375148274 301153218 /nfs/dbraw/zinc/15/32/18/301153218.db2.gz GXXUZUJRDOCLQF-MROQNXINSA-N 0 0 337.424 0.958 10 0 ECAERN Cn1cc(S(=O)(=O)NCCN2CCO[C@H]3CCCC[C@@H]32)cn1 ZINC000075640257 436168989 /nfs/dbraw/zinc/16/89/89/436168989.db2.gz QNJKXZBYPYUOGW-KBPBESRZSA-N 0 0 328.438 0.342 10 0 ECAERN CC(C)NC(=O)C(=O)N1CCN(C[C@@](C)(O)c2ccccc2)CC1 ZINC000075826539 436176197 /nfs/dbraw/zinc/17/61/97/436176197.db2.gz UZQLJPQLGQFICX-GOSISDBHSA-N 0 0 333.432 0.563 10 0 ECAERN C[C@H](CNC(=O)Nc1cc(-n2cnnn2)ccc1F)N1CCOCC1 ZINC000076516506 436207585 /nfs/dbraw/zinc/20/75/85/436207585.db2.gz MLAJPCYURMYSEH-LLVKDONJSA-N 0 0 349.370 0.644 10 0 ECAERN CNC(=O)[C@@H](NC(=O)CN1CCC[C@@H](NC(C)=O)C1)c1ccccc1 ZINC000077170267 436226844 /nfs/dbraw/zinc/22/68/44/436226844.db2.gz HDUQGSURMVVONI-WBVHZDCISA-N 0 0 346.431 0.190 10 0 ECAERN CCn1c2ccc(C(=O)NC[C@H]3CCCC[C@H]3O)cc2[nH]c(=O)c1=O ZINC000077158884 436227517 /nfs/dbraw/zinc/22/75/17/436227517.db2.gz IFVMHCMXYQGBCW-IUODEOHRSA-N 0 0 345.399 0.991 10 0 ECAERN O=C(NC[C@H]1OC[C@@H](NCc2c[nH]cn2)[C@@H]1O)c1ccc(F)cc1 ZINC000077264437 436229010 /nfs/dbraw/zinc/22/90/10/436229010.db2.gz NZHINSSHYDZVML-KFWWJZLASA-N 0 0 334.351 0.197 10 0 ECAERN CNC(=O)c1cccc(CCNC(=O)N2CCC[C@@H](NC(C)=O)C2)c1 ZINC000077586018 436243311 /nfs/dbraw/zinc/24/33/11/436243311.db2.gz BJZNXHTWRCKVJL-MRXNPFEDSA-N 0 0 346.431 0.899 10 0 ECAERN CCOC(=O)/C=C\C(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000033412047 436252076 /nfs/dbraw/zinc/25/20/76/436252076.db2.gz BVKWGSGEDCUEJX-KTKRTIGZSA-N 0 0 326.374 0.995 10 0 ECAERN COC[C@H](O)CN1CCO[C@H](COc2ccc3c(c2)OCO3)C1 ZINC000034670856 436256891 /nfs/dbraw/zinc/25/68/91/436256891.db2.gz RGLUMBGKDIUBEE-OCCSQVGLSA-N 0 0 325.361 0.502 10 0 ECAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)CCS(=O)(=O)CC(C)C ZINC000081580630 436351178 /nfs/dbraw/zinc/35/11/78/436351178.db2.gz VMFJRVBDFWKPPA-GFCCVEGCSA-N 0 0 328.438 0.999 10 0 ECAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)c1ccccc1OCC(N)=O ZINC000081581956 436352525 /nfs/dbraw/zinc/35/25/25/436352525.db2.gz JKINMMNNMWDTFW-LBPRGKRZSA-N 0 0 329.360 0.716 10 0 ECAERN COC(=O)[C@@H]1CCCCN1C(=O)Cn1c2ccccc2n(C)c1=O ZINC000042648154 436311790 /nfs/dbraw/zinc/31/17/90/436311790.db2.gz CTWGLPIGWAGJNH-AWEZNQCLSA-N 0 0 331.372 0.894 10 0 ECAERN Cc1ccc([C@@H](C)NC(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)o1 ZINC000043719908 436335010 /nfs/dbraw/zinc/33/50/10/436335010.db2.gz JRGSJXVWBLNFRB-GFCCVEGCSA-N 0 0 348.403 0.781 10 0 ECAERN CC(C)c1n[nH]c(C(=O)N2CCOC[C@@H]2C(N)=O)c1Br ZINC000091782955 436460848 /nfs/dbraw/zinc/46/08/48/436460848.db2.gz JHQCQFDCKJUOGD-SSDOTTSWSA-N 0 0 345.197 0.622 10 0 ECAERN CCNC(=O)c1cccc(CNC(=O)NC[C@H](C)N2CCOCC2)c1 ZINC000049131165 436464957 /nfs/dbraw/zinc/46/49/57/436464957.db2.gz YIXOVUBBKDZETK-AWEZNQCLSA-N 0 0 348.447 0.956 10 0 ECAERN CN1CCN(C(=O)C2CCN(CC(N)=O)CC2)[C@@H](c2ccccc2)C1 ZINC000091965293 436465743 /nfs/dbraw/zinc/46/57/43/436465743.db2.gz AHZCMTVUJQXOLJ-QGZVFWFLSA-N 0 0 344.459 0.699 10 0 ECAERN O=C(c1nc[nH]n1)N1CCN(c2nccc(-c3cccnc3)n2)CC1 ZINC000096132634 436515209 /nfs/dbraw/zinc/51/52/09/436515209.db2.gz DMJAIEGZWNOCRH-UHFFFAOYSA-N 0 0 336.359 0.619 10 0 ECAERN CC(C)(C)OC[C@H](O)CN1CCN(CC(=O)N2CCCC2)CC1 ZINC000052806264 436517355 /nfs/dbraw/zinc/51/73/55/436517355.db2.gz CULZSNQIAVGIAC-OAHLLOKOSA-N 0 0 327.469 0.402 10 0 ECAERN CCOC(=O)C1=C(C(=O)OCC)NN(C(=O)OC)[C@H](OCC)C1 ZINC000096034446 436504284 /nfs/dbraw/zinc/50/42/84/436504284.db2.gz LCUOYGGIGVEILI-VHSXEESVSA-N 0 0 330.337 0.920 10 0 ECAERN C[C@H](CNC(=O)C1CCN(Cc2nccn2C)CC1)N1CCOCC1 ZINC000052610228 436511177 /nfs/dbraw/zinc/51/11/77/436511177.db2.gz LRLPEJQOLYPIDK-OAHLLOKOSA-N 0 0 349.479 0.469 10 0 ECAERN CCCc1ccc(S(=O)(=O)NC[C@@H](O)CN2CCOCC2)cc1 ZINC000097008331 436535295 /nfs/dbraw/zinc/53/52/95/436535295.db2.gz SYXRMVZSYRUZMJ-OAHLLOKOSA-N 0 0 342.461 0.611 10 0 ECAERN Cn1cc([C@@H]2CN(S(=O)(=O)CC[C@@H]3CCCO3)CCO2)cn1 ZINC000097015059 436536183 /nfs/dbraw/zinc/53/61/83/436536183.db2.gz QGWOTOVHXIYMSZ-KBPBESRZSA-N 0 0 329.422 0.692 10 0 ECAERN CC(C)c1noc(CCCNC(=O)NC[C@H]2CN(C)CCO2)n1 ZINC000104794426 436562074 /nfs/dbraw/zinc/56/20/74/436562074.db2.gz OQIDMKXWTRFKGI-LBPRGKRZSA-N 0 0 325.413 0.755 10 0 ECAERN CN(CCCNC(=O)NC[C@@H]1CN(C)CCO1)CC(F)(F)F ZINC000104790178 436563759 /nfs/dbraw/zinc/56/37/59/436563759.db2.gz CNPLPLYCYFABIS-LLVKDONJSA-N 0 0 326.363 0.500 10 0 ECAERN CN1CCO[C@@H](CNC(=O)Nc2ccccc2CN2CCOCC2)C1 ZINC000105281170 436571992 /nfs/dbraw/zinc/57/19/92/436571992.db2.gz ZWDZNZRQIULFPS-INIZCTEOSA-N 0 0 348.447 0.971 10 0 ECAERN CCCCCNC(=O)[C@@H](C)N1CCN(c2ccc3nncn3n2)CC1 ZINC000105817043 436580473 /nfs/dbraw/zinc/58/04/73/436580473.db2.gz VTLKDPOHSPNHDJ-CQSZACIVSA-N 0 0 345.451 0.941 10 0 ECAERN CCCCCCNC(=O)CN1CCN(c2ccc3nncn3n2)CC1 ZINC000105816913 436580689 /nfs/dbraw/zinc/58/06/89/436580689.db2.gz HRMGKGLPURNXBD-UHFFFAOYSA-N 0 0 345.451 0.943 10 0 ECAERN Cc1cnn([C@@H]2CCCN(C(=O)CN3C(=O)NC(C)(C)C3=O)C2)c1 ZINC000105857614 436581121 /nfs/dbraw/zinc/58/11/21/436581121.db2.gz LRNBLILPXBLBEZ-GFCCVEGCSA-N 0 0 333.392 0.685 10 0 ECAERN O=C(Cn1c(=O)[nH]c2ccccc21)N1CCC[C@@H](n2cncn2)C1 ZINC000105854589 436581193 /nfs/dbraw/zinc/58/11/93/436581193.db2.gz JKNQCVGKDLTMSE-GFCCVEGCSA-N 0 0 326.360 0.785 10 0 ECAERN CN(CC(=O)NC(N)=O)C[C@@H](c1cccs1)N1CCOCC1 ZINC000105874479 436583065 /nfs/dbraw/zinc/58/30/65/436583065.db2.gz PKWIRDSWQLQUED-NSHDSACASA-N 0 0 326.422 0.248 10 0 ECAERN O=C1c2ccccc2C(=O)N1CCN1CCO[C@H](Cn2cccn2)C1 ZINC000105888757 436584698 /nfs/dbraw/zinc/58/46/98/436584698.db2.gz YSYBFIYIABLZKB-AWEZNQCLSA-N 0 0 340.383 0.880 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)Cn2nnc(-c3ccccc3)n2)CC1 ZINC000106397388 436594012 /nfs/dbraw/zinc/59/40/12/436594012.db2.gz BDBGULFNUVIOAK-OAHLLOKOSA-N 0 0 344.419 0.255 10 0 ECAERN COc1ccc([C@@H]2[C@@H](S(=O)(=O)N3CCOCC3)CON2C)cc1 ZINC000106680640 436600480 /nfs/dbraw/zinc/60/04/80/436600480.db2.gz VKIZWRWZLPHQSY-LSDHHAIUSA-N 0 0 342.417 0.644 10 0 ECAERN CC(C)(C)n1ncc2c1nc(N[C@@H]1CCc3ncnn3C1)[nH]c2=O ZINC000108948097 436621287 /nfs/dbraw/zinc/62/12/87/436621287.db2.gz WCUNHBCTODZOET-SECBINFHSA-N 0 0 328.380 0.893 10 0 ECAERN COc1ncccc1CNC(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000111814922 436632611 /nfs/dbraw/zinc/63/26/11/436632611.db2.gz NEJMOGDMSVFGLT-AWEZNQCLSA-N 0 0 331.376 0.897 10 0 ECAERN CCOc1ccnc(N2CCN(C(=O)NCCn3ccnc3)CC2)n1 ZINC000113573643 436638356 /nfs/dbraw/zinc/63/83/56/436638356.db2.gz FZWMUYZXVYJOPY-UHFFFAOYSA-N 0 0 345.407 0.604 10 0 ECAERN O=C(Cn1nc2ccccn2c1=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000113890279 436638468 /nfs/dbraw/zinc/63/84/68/436638468.db2.gz QEVRMDCVJQACDG-CYBMUJFWSA-N 0 0 326.360 0.973 10 0 ECAERN COc1cc(CCNC(=O)N[C@H]2CCc3ncnn3C2)ccc1O ZINC000114832782 436643656 /nfs/dbraw/zinc/64/36/56/436643656.db2.gz FJBPLLICFKRZNK-LBPRGKRZSA-N 0 0 331.376 0.849 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)C(=O)c1c(C)nn(C)c1C)CC2 ZINC000114865981 436644296 /nfs/dbraw/zinc/64/42/96/436644296.db2.gz XJYYXDBXOMZASK-NSHDSACASA-N 0 0 330.392 0.505 10 0 ECAERN CCCn1cc(CN2CCCN(C(=O)C(=O)NC3CC3)CC2)cn1 ZINC000115372404 436646584 /nfs/dbraw/zinc/64/65/84/436646584.db2.gz FXPXRBJWCYVSSV-UHFFFAOYSA-N 0 0 333.436 0.606 10 0 ECAERN Cc1nn(C)c(C)c1CN1CCN(C(=O)C2=NN(C)C(=O)CC2)CC1 ZINC000115390077 436647299 /nfs/dbraw/zinc/64/72/99/436647299.db2.gz AQIAXBBLAJTCJL-UHFFFAOYSA-N 0 0 346.435 0.289 10 0 ECAERN CCCNC(=O)c1cn(CC)nc1S(=O)(=O)N1CCSCC1 ZINC000065151953 436651865 /nfs/dbraw/zinc/65/18/65/436651865.db2.gz MGZBZCYDGQQCSB-UHFFFAOYSA-N 0 0 346.478 0.780 10 0 ECAERN CCS(=O)(=O)N[C@H]1CCCN(c2cc(N3CCCC3)ncn2)C1 ZINC000065269253 436653918 /nfs/dbraw/zinc/65/39/18/436653918.db2.gz ZJEIDYNEBDORIH-ZDUSSCGKSA-N 0 0 339.465 0.985 10 0 ECAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)[C@H]1CCCN(C(N)=O)C1)CC2 ZINC000150713635 436687393 /nfs/dbraw/zinc/68/73/93/436687393.db2.gz AGBLOLKQYNWZJY-RYUDHWBXSA-N 0 0 334.424 0.623 10 0 ECAERN CCCN(C)S(=O)(=O)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000120635478 436695413 /nfs/dbraw/zinc/69/54/13/436695413.db2.gz AALQCBNTWYICLV-UHFFFAOYSA-N 0 0 329.470 0.514 10 0 ECAERN COc1ccc(C(=O)N[C@H]2CCCC[C@H]2CO)cc1-n1cnnn1 ZINC000120898548 436701166 /nfs/dbraw/zinc/70/11/66/436701166.db2.gz IXQVXKKHYILSFB-STQMWFEESA-N 0 0 331.376 0.952 10 0 ECAERN COC(=O)CCNC(=O)CN1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000120954094 436703889 /nfs/dbraw/zinc/70/38/89/436703889.db2.gz HVUCIXFDGINECG-BXUZGUMPSA-N 0 0 342.342 0.752 10 0 ECAERN Cn1cnc(S(=O)(=O)NCC(=O)N2CCC[C@H]2c2ccco2)c1 ZINC000151525445 436704449 /nfs/dbraw/zinc/70/44/49/436704449.db2.gz WJIOTFTYIRFDEM-NSHDSACASA-N 0 0 338.389 0.655 10 0 ECAERN CSCCC(=O)N1CCn2nc([C@H](O)c3nccn3C)cc2C1 ZINC000223024557 436705447 /nfs/dbraw/zinc/70/54/47/436705447.db2.gz VSKKHDURWLZVMT-AWEZNQCLSA-N 0 0 335.433 0.794 10 0 ECAERN Cc1noc([C@@H]2COCCN2C(=O)CNC(=O)Cc2ccccc2)n1 ZINC000121103058 436707628 /nfs/dbraw/zinc/70/76/28/436707628.db2.gz GROVTESJPRFROX-AWEZNQCLSA-N 0 0 344.371 0.637 10 0 ECAERN CCCCn1nccc1NC(=O)C(=O)N1CCC[C@H](NC(C)=O)C1 ZINC000151643267 436708522 /nfs/dbraw/zinc/70/85/22/436708522.db2.gz XZCJGBFRAVJMBN-ZDUSSCGKSA-N 0 0 335.408 0.749 10 0 ECAERN CCc1nnc([C@H]2CN(C(=O)CCC(=O)N(CC)CC)CCO2)[nH]1 ZINC000121315015 436711459 /nfs/dbraw/zinc/71/14/59/436711459.db2.gz JKUBGIRTDFAEFN-GFCCVEGCSA-N 0 0 337.424 0.916 10 0 ECAERN CCCC[C@H](NC(=O)NCC)C(=O)NC[C@H](C)N1CCOCC1 ZINC000119078923 436665207 /nfs/dbraw/zinc/66/52/07/436665207.db2.gz RGMAPZRCGLMXEG-KBPBESRZSA-N 0 0 328.457 0.701 10 0 ECAERN CC(C)(O)[C@@H](c1ccc(CN2CCOCC2)cc1)S(N)(=O)=O ZINC000146268557 436679266 /nfs/dbraw/zinc/67/92/66/436679266.db2.gz YXWWJYCHCUOPBA-CQSZACIVSA-N 0 0 328.434 0.619 10 0 ECAERN O=C(NC[C@@H](O)COc1ccc(C(F)(F)F)cc1)[C@H]1CNC(=O)C1 ZINC000195093346 436679320 /nfs/dbraw/zinc/67/93/20/436679320.db2.gz RPRNAKWYSRSJLT-MWLCHTKSSA-N 0 0 346.305 0.697 10 0 ECAERN COc1ccc(C(=O)N[C@@H]2CCc3ncnn3C2)cc1-n1cnnn1 ZINC000120187015 436681418 /nfs/dbraw/zinc/68/14/18/436681418.db2.gz UVQFHCPHSODEHJ-LLVKDONJSA-N 0 0 340.347 0.007 10 0 ECAERN CNc1cc(N2CCC[C@H]2CNC(=O)Cc2cc(C)[nH]n2)ncn1 ZINC000121386722 436714677 /nfs/dbraw/zinc/71/46/77/436714677.db2.gz ZALSAEMKZLUMBR-ZDUSSCGKSA-N 0 0 329.408 0.878 10 0 ECAERN O=C(CNC(=O)c1cccnc1)N[C@@H]1CCCN(c2cccnn2)C1 ZINC000152265371 436724639 /nfs/dbraw/zinc/72/46/39/436724639.db2.gz BZSKJEIVKYUZFH-CQSZACIVSA-N 0 0 340.387 0.387 10 0 ECAERN CCOCCCCNC(=O)N1CCN(c2ccc3nncn3n2)CC1 ZINC000152351779 436728422 /nfs/dbraw/zinc/72/84/22/436728422.db2.gz HTZBXXMOYDWYIJ-UHFFFAOYSA-N 0 0 347.423 0.773 10 0 ECAERN C[C@H]1CC[C@@H](C(=O)Nc2cnn(CC(=O)N3CCN(C)CC3)c2)O1 ZINC000152503180 436732103 /nfs/dbraw/zinc/73/21/03/436732103.db2.gz IHNBGOMIFVMBQY-JSGCOSHPSA-N 0 0 335.408 0.163 10 0 ECAERN CN(C)C(=O)[C@H]1CCCN1C(=O)c1cnn(C)c1Br ZINC000273177974 436736113 /nfs/dbraw/zinc/73/61/13/436736113.db2.gz DHDLPXOFMFKFMV-SECBINFHSA-N 0 0 329.198 0.875 10 0 ECAERN CCCNC(=O)CNC(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(F)cc1 ZINC000124363838 436749855 /nfs/dbraw/zinc/74/98/55/436749855.db2.gz XHYOEBFTWSYSEV-BBRMVZONSA-N 0 0 335.379 0.988 10 0 ECAERN COc1ccc(Br)cc1CS(=O)(=O)C[C@@H](O)CO ZINC000125160780 436763305 /nfs/dbraw/zinc/76/33/05/436763305.db2.gz BWQMONJOIXHLAH-JTQLQIEISA-N 0 0 339.207 0.726 10 0 ECAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCOC2(CCC2)C1 ZINC000127938230 436810201 /nfs/dbraw/zinc/81/02/01/436810201.db2.gz XJGKRVRFDIGCNY-CYBMUJFWSA-N 0 0 330.450 0.972 10 0 ECAERN CC(C)[C@H](O)CNC(=O)[C@@H]1CCC[C@@H]1C(=O)NC[C@@H](O)C(C)C ZINC000245925885 436770873 /nfs/dbraw/zinc/77/08/73/436770873.db2.gz XLTVHNCTYHYCIN-LXTVHRRPSA-N 0 0 328.453 0.669 10 0 ECAERN CN(CC(C)(C)CN1CCOCC1)C(=O)NC[C@H]1CN(C)CCO1 ZINC000125684794 436774820 /nfs/dbraw/zinc/77/48/20/436774820.db2.gz SSOYVVJHHLAPAA-HNNXBMFYSA-N 0 0 342.484 0.317 10 0 ECAERN CCc1cc(NC(=O)C(=O)N2CCN(CCOC)[C@@H](C)C2)n(C)n1 ZINC000126223130 436783403 /nfs/dbraw/zinc/78/34/03/436783403.db2.gz ZZPNIWAUYLKHDU-LBPRGKRZSA-N 0 0 337.424 0.100 10 0 ECAERN CCn1c(C)nnc1CN1CCN(c2ncnc3c2cnn3C)CC1 ZINC000154789613 436786203 /nfs/dbraw/zinc/78/62/03/436786203.db2.gz KKQIRUYURPDPCJ-UHFFFAOYSA-N 0 0 341.423 0.605 10 0 ECAERN CS(=O)(=O)c1ccccc1S(=O)(=O)N1CCN2CCC[C@H]2C1 ZINC000247650689 436795748 /nfs/dbraw/zinc/79/57/48/436795748.db2.gz WNDYXZKCKYHWQF-LBPRGKRZSA-N 0 0 344.458 0.559 10 0 ECAERN COCCN1CCN(C(=O)NC[C@H]2CC(=O)N(C3CC3)C2)C[C@@H]1C ZINC000248421559 436801715 /nfs/dbraw/zinc/80/17/15/436801715.db2.gz YAEWNWAEVIWFFG-UONOGXRCSA-N 0 0 338.452 0.359 10 0 ECAERN CCc1n[nH]c(=O)c(CNC(=O)NC[C@H]2CN(C)CCO2)c1CC ZINC000158168009 436841190 /nfs/dbraw/zinc/84/11/90/436841190.db2.gz PNFARPDRLYDDFM-NSHDSACASA-N 0 0 337.424 0.025 10 0 ECAERN CNC(=O)[C@@H]1CN(C(=O)COc2ccc(Cl)cc2C)C[C@H]1CO ZINC000253410082 436843846 /nfs/dbraw/zinc/84/38/46/436843846.db2.gz MVFAUIJITOBYST-WCQYABFASA-N 0 0 340.807 0.840 10 0 ECAERN CCc1onc(C)c1NC(=O)C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000131316358 436850278 /nfs/dbraw/zinc/85/02/78/436850278.db2.gz FCXKWCYCXMJJAA-LBPRGKRZSA-N 0 0 336.392 0.417 10 0 ECAERN Cc1nnc([C@@H]2CN(C[C@@H]3CCCN(S(C)(=O)=O)C3)CCO2)[nH]1 ZINC000132018655 436859549 /nfs/dbraw/zinc/85/95/49/436859549.db2.gz MEVWZQNEBLDNCO-STQMWFEESA-N 0 0 343.453 0.158 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)C(=O)Nc1c(C)noc1CC)CC2 ZINC000132160260 436862006 /nfs/dbraw/zinc/86/20/06/436862006.db2.gz JEXJMIIJSXFGJT-JTQLQIEISA-N 0 0 346.391 0.769 10 0 ECAERN O=C(NC[C@@H](O)CN1CCOCC1)c1ccc(C(F)(F)F)nc1 ZINC000129010615 436822979 /nfs/dbraw/zinc/82/29/79/436822979.db2.gz FKZORLLQSNBZOE-LLVKDONJSA-N 0 0 333.310 0.523 10 0 ECAERN CCc1c(C(=O)N2C[C@@H](C)O[C@@H](C(N)=O)C2)cnn1-c1ccccn1 ZINC000157450266 436828282 /nfs/dbraw/zinc/82/82/82/436828282.db2.gz TVZUKYCSYNSQTH-BXUZGUMPSA-N 0 0 343.387 0.545 10 0 ECAERN Cc1cc(C)n(-c2ccc(C(=O)N3C[C@@H](C)O[C@@H](C(N)=O)C3)cn2)n1 ZINC000157607595 436832973 /nfs/dbraw/zinc/83/29/73/436832973.db2.gz USJFJJKNCBVZGI-TZMCWYRMSA-N 0 0 343.387 0.599 10 0 ECAERN Cc1ccc(S(=O)(=O)NCCNC(=O)C[C@@H](O)C(C)C)s1 ZINC000162928063 436914408 /nfs/dbraw/zinc/91/44/08/436914408.db2.gz XKRFHLIOBSYJJY-LLVKDONJSA-N 0 0 334.463 0.858 10 0 ECAERN C[C@@H](NC(=O)Cn1nc2ccccn2c1=O)c1nnc2n1CCCC2 ZINC000135431651 436916639 /nfs/dbraw/zinc/91/66/39/436916639.db2.gz PIBRBUXGSWYMOU-LLVKDONJSA-N 0 0 341.375 0.301 10 0 ECAERN CN(C)C[C@@H]1CN(C(=O)c2csc(S(C)(=O)=O)c2)CCO1 ZINC000163044958 436916977 /nfs/dbraw/zinc/91/69/77/436916977.db2.gz LGKWFMDGQJUOSN-LLVKDONJSA-N 0 0 332.447 0.554 10 0 ECAERN O=C(C[C@@H]1COCCN1C[C@H](O)CN1CCCC1=O)c1ccccc1 ZINC000134183767 436890989 /nfs/dbraw/zinc/89/09/89/436890989.db2.gz JIDBYPQWZXOQSV-SJORKVTESA-N 0 0 346.427 0.944 10 0 ECAERN CCOCCN1CCN(C(=O)[C@@H]2CCN(C(=O)CC)C2)C[C@H]1C ZINC000161995472 436899839 /nfs/dbraw/zinc/89/98/39/436899839.db2.gz JMMQPGCMRFJAFA-HUUCEWRRSA-N 0 0 325.453 0.814 10 0 ECAERN CCC(=O)N1CC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(N)=O)C1 ZINC000136272305 436928997 /nfs/dbraw/zinc/92/89/97/436928997.db2.gz RCQRACDBTSVGOK-KBPBESRZSA-N 0 0 332.404 0.393 10 0 ECAERN CN(C)c1cccc(CNC(=O)N2CC[C@@H](N3CCOCC3)C2)n1 ZINC000164204441 436930626 /nfs/dbraw/zinc/93/06/26/436930626.db2.gz RJRSGJLIVJONMD-OAHLLOKOSA-N 0 0 333.436 0.764 10 0 ECAERN C[N@@H+](CC(=O)[O-])C[C@H]1CN(C(=O)Cc2ccc(F)cc2F)CCO1 ZINC000262976200 436946909 /nfs/dbraw/zinc/94/69/09/436946909.db2.gz SOYPZBHFHWPXOV-ZDUSSCGKSA-N 0 0 342.342 0.751 10 0 ECAERN C[C@H]1CC[C@H](NC(=O)N2CCO[C@H](C[N@H+](C)CC(=O)[O-])C2)CC1 ZINC000263172087 436953331 /nfs/dbraw/zinc/95/33/31/436953331.db2.gz DFUGNUUTFVMTNP-MGPQQGTHSA-N 0 0 327.425 0.992 10 0 ECAERN C[C@H]1CC[C@H](NC(=O)N2CCO[C@@H](C[N@H+](C)CC(=O)[O-])C2)CC1 ZINC000263172085 436954169 /nfs/dbraw/zinc/95/41/69/436954169.db2.gz DFUGNUUTFVMTNP-IHRRRGAJSA-N 0 0 327.425 0.992 10 0 ECAERN COc1ccccc1N1CC[C@@H](NC(=O)[C@H]2CC(F)(F)CN2)C1=O ZINC000263237824 436957269 /nfs/dbraw/zinc/95/72/69/436957269.db2.gz OGBRTJRPXDUBGC-GHMZBOCLSA-N 0 0 339.342 0.914 10 0 ECAERN Cc1nc(C[C@@H]2CCCN(C(=O)NCCNC(=O)C3CC3)C2)no1 ZINC000170883620 436959141 /nfs/dbraw/zinc/95/91/41/436959141.db2.gz ZCSBTUBFDWAXPX-LBPRGKRZSA-N 0 0 335.408 0.868 10 0 ECAERN CCNC(=O)c1cccc(CNC(=O)NC[C@H]2CN(C)CCO2)c1 ZINC000170922923 436960171 /nfs/dbraw/zinc/96/01/71/436960171.db2.gz IMKOMQRTCJMSKG-HNNXBMFYSA-N 0 0 334.420 0.566 10 0 ECAERN O=C(c1ccc(-n2cnnc2)cc1)N1CC[C@H](N2CCOCC2)C1 ZINC000172768381 437030209 /nfs/dbraw/zinc/03/02/09/437030209.db2.gz ITFBQFNJVDTBSF-INIZCTEOSA-N 0 0 327.388 0.814 10 0 ECAERN CCOC(=O)C1CCN(C(=O)CN2CCC[C@@H](n3cncn3)C2)CC1 ZINC000171616047 436984216 /nfs/dbraw/zinc/98/42/16/436984216.db2.gz JPYSPZMYUFSJTQ-OAHLLOKOSA-N 0 0 349.435 0.717 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)N1CCCN(C(C)=O)CC1)CC2 ZINC000172038578 436997095 /nfs/dbraw/zinc/99/70/95/436997095.db2.gz RWIWPFKTZDJZFB-CYBMUJFWSA-N 0 0 334.424 0.419 10 0 ECAERN CC(C)(C)S(=O)(=O)CCNC(=O)N1CCC[C@H](n2cncn2)C1 ZINC000173286842 437045407 /nfs/dbraw/zinc/04/54/07/437045407.db2.gz FHVPPZHFERMBES-LBPRGKRZSA-N 0 0 343.453 0.838 10 0 ECAERN CNc1cc(N2CCC[C@H]2CNC(=O)CNC(=O)C(C)(C)C)ncn1 ZINC000173424492 437049460 /nfs/dbraw/zinc/04/94/60/437049460.db2.gz PRBVRIDZRIHOIV-LBPRGKRZSA-N 0 0 348.451 0.766 10 0 ECAERN CNc1cc(N2CCC[C@@H]2CNC(=O)c2cn(C)nc2C)ncn1 ZINC000173448056 437050085 /nfs/dbraw/zinc/05/00/85/437050085.db2.gz SLQDPFZYCKQISX-GFCCVEGCSA-N 0 0 329.408 0.959 10 0 ECAERN Cc1nnc([C@@H]2CN(C(=O)c3ccc4[nH]c(=O)[nH]c4c3)CCO2)[nH]1 ZINC000173602196 437058475 /nfs/dbraw/zinc/05/84/75/437058475.db2.gz FOIZNIFLJULAOC-LBPRGKRZSA-N 0 0 328.332 0.496 10 0 ECAERN CN(C)c1ncccc1CNC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000173777054 437064422 /nfs/dbraw/zinc/06/44/22/437064422.db2.gz UPTVUNBDUXWNAT-OAHLLOKOSA-N 0 0 333.436 0.764 10 0 ECAERN O=C(Nc1ccc(Cl)nc1)C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000174008720 437073839 /nfs/dbraw/zinc/07/38/39/437073839.db2.gz AFXGCOQRDDRHAZ-GFCCVEGCSA-N 0 0 338.795 0.607 10 0 ECAERN Cc1cc(N2CCC[C@H](NC(=O)c3cn(C)nc3C)C2=O)n(C)n1 ZINC000173068233 437037387 /nfs/dbraw/zinc/03/73/87/437037387.db2.gz MOBBJAJRSMJKEO-ZDUSSCGKSA-N 0 0 330.392 0.696 10 0 ECAERN CC[C@H]1CN(C(=O)CCCCN2CCOCC2)CC[N@@H+]1C[C@@H](C)O ZINC000174595089 437082487 /nfs/dbraw/zinc/08/24/87/437082487.db2.gz BVHCVEWEXOPTBT-SJORKVTESA-N 0 0 341.496 0.793 10 0 ECAERN Cc1cnn([C@@H]2CCCN(C(=O)CN3C(=O)NC(=O)C3(C)C)C2)c1 ZINC000174661176 437084501 /nfs/dbraw/zinc/08/45/01/437084501.db2.gz YTBJQUODCKNNEI-GFCCVEGCSA-N 0 0 333.392 0.685 10 0 ECAERN CNc1cc(N2CCC[C@@H]2CNC(=O)NCCn2cccn2)ncn1 ZINC000174950108 437092015 /nfs/dbraw/zinc/09/20/15/437092015.db2.gz IGHCMYYIVYDJDX-CYBMUJFWSA-N 0 0 344.423 0.683 10 0 ECAERN Cc1ccc(N2CC[C@@H](NC(=O)NC[C@@H]3CN(C)CCO3)C2=O)cc1 ZINC000176432596 437144576 /nfs/dbraw/zinc/14/45/76/437144576.db2.gz WYNZIIVVMUDJNQ-HZPDHXFCSA-N 0 0 346.431 0.730 10 0 ECAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)NCCN1CCOCC1(C)C ZINC000175755632 437115994 /nfs/dbraw/zinc/11/59/94/437115994.db2.gz IFMWGYAFDDQWKH-ZDUSSCGKSA-N 0 0 336.440 0.831 10 0 ECAERN CN(C)C(=O)Cn1cnc(NC(=O)N2CCN3CCCC[C@@H]3C2)n1 ZINC000175939991 437125685 /nfs/dbraw/zinc/12/56/85/437125685.db2.gz JZSXLIZALBBZPT-GFCCVEGCSA-N 0 0 335.412 0.068 10 0 ECAERN NC(=O)c1cccc(OCCC(=O)N[C@H]2CCc3ncnn3C2)c1 ZINC000176065284 437130354 /nfs/dbraw/zinc/13/03/54/437130354.db2.gz HORRQUHCFFQSGX-LBPRGKRZSA-N 0 0 329.360 0.277 10 0 ECAERN CNc1cc(N2CCC[C@@H]2CNC(=O)N[C@@H]2C=C[C@H](CO)C2)ncn1 ZINC000176125916 437133385 /nfs/dbraw/zinc/13/33/85/437133385.db2.gz OGGLVHYYBOMTBG-BFHYXJOUSA-N 0 0 346.435 0.723 10 0 ECAERN O=C(Nc1ccc2c(c1)CCC2)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000177633557 437192436 /nfs/dbraw/zinc/19/24/36/437192436.db2.gz OMJMSMWZDZWGAZ-AWEZNQCLSA-N 0 0 325.372 0.837 10 0 ECAERN CNC(=O)[C@H](NC(=O)NCC(=O)N(C)Cc1ccccc1)C(C)C ZINC000178397304 437215002 /nfs/dbraw/zinc/21/50/02/437215002.db2.gz XTFGKIPPWPIHFO-OAHLLOKOSA-N 0 0 334.420 0.715 10 0 ECAERN CN1CCN(S(=O)(=O)C[C@@H]2CCCCO2)C[C@H]1c1ncc[nH]1 ZINC000328617626 437240251 /nfs/dbraw/zinc/24/02/51/437240251.db2.gz CYAVVTAHLXNLMT-STQMWFEESA-N 0 0 328.438 0.597 10 0 ECAERN CNC(=O)[C@H](NC(=O)Nc1ccc(C)c(-n2cnnn2)c1)C(C)C ZINC000178913672 437240932 /nfs/dbraw/zinc/24/09/32/437240932.db2.gz PXQHNWQMYHGADF-CYBMUJFWSA-N 0 0 331.380 0.863 10 0 ECAERN O=C(CN1C[C@@H](O)C[C@@H]1CO)Nc1ccc(Br)cc1 ZINC000179169288 437252266 /nfs/dbraw/zinc/25/22/66/437252266.db2.gz RNKANVHNNQAQIK-NEPJUHHUSA-N 0 0 329.194 0.815 10 0 ECAERN CNC(=O)c1ccc(N(C)[C@H]2CCCN(c3cccnn3)C2)nn1 ZINC000266843516 437253327 /nfs/dbraw/zinc/25/33/27/437253327.db2.gz NVYNQFTXHPVEPR-LBPRGKRZSA-N 0 0 327.392 0.731 10 0 ECAERN CNC(=O)[C@@H]1CCCN1C(=O)NCCNC(=O)c1ccccc1F ZINC000179250708 437258076 /nfs/dbraw/zinc/25/80/76/437258076.db2.gz ZKUOOPQYPJBTAJ-ZDUSSCGKSA-N 0 0 336.367 0.476 10 0 ECAERN Cn1cnn(-c2ccc(NC(=O)NC[C@@H]3CN(C)CCO3)cc2)c1=O ZINC000179409208 437264782 /nfs/dbraw/zinc/26/47/82/437264782.db2.gz MVPOXLUYBHBABO-CQSZACIVSA-N 0 0 346.391 0.023 10 0 ECAERN CCOc1ccnc(N2CCN([C@@H](C)CN3CCOCC3)CC2)n1 ZINC000180478348 437291597 /nfs/dbraw/zinc/29/15/97/437291597.db2.gz NIKQRRIQTITNMP-HNNXBMFYSA-N 0 0 335.452 0.718 10 0 ECAERN CCCOCc1ccccc1CNC(=O)CN1C[C@@H](O)C[C@@H]1CO ZINC000185146144 437427706 /nfs/dbraw/zinc/42/77/06/437427706.db2.gz OVNZYLWMEOKALC-SJORKVTESA-N 0 0 336.432 0.657 10 0 ECAERN COCC(=O)NC1CN(C(=O)NCc2cn3c(cccc3C)n2)C1 ZINC000185403521 437436810 /nfs/dbraw/zinc/43/68/10/437436810.db2.gz WZGBFYFGGDSGFM-UHFFFAOYSA-N 0 0 331.376 0.299 10 0 ECAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)N(CCO)CCCOC ZINC000187295160 437498604 /nfs/dbraw/zinc/49/86/04/437498604.db2.gz IAAQUTVGNPTENH-GFCCVEGCSA-N 0 0 325.413 0.716 10 0 ECAERN CS(=O)(=O)NCCC(=O)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000187598470 437508620 /nfs/dbraw/zinc/50/86/20/437508620.db2.gz HTUUVRWTJCUPJX-RYUDHWBXSA-N 0 0 332.447 0.222 10 0 ECAERN CN(C)c1nc(N)nc(CN2C[C@@H](c3ccsc3)[C@H](CO)C2)n1 ZINC000188086726 437525119 /nfs/dbraw/zinc/52/51/19/437525119.db2.gz WAVLMQFEHSHJHH-RYUDHWBXSA-N 0 0 334.449 0.789 10 0 ECAERN O=S(=O)(CCCOCc1ccccc1)N1CCO[C@H](CO)C1 ZINC000290828108 437534036 /nfs/dbraw/zinc/53/40/36/437534036.db2.gz UHYUZVNGHPNEMT-HNNXBMFYSA-N 0 0 329.418 0.616 10 0 ECAERN COCCOc1ccc(CC(=O)N[C@H]2CCc3ncnn3C2)cc1 ZINC000192104272 437667145 /nfs/dbraw/zinc/66/71/45/437667145.db2.gz NOIIYXLSJWONQD-AWEZNQCLSA-N 0 0 330.388 0.977 10 0 ECAERN C[C@@H](NC(=O)c1ccco1)C(=O)N1CCC(C)(C)S(=O)(=O)CC1 ZINC000192884051 437695534 /nfs/dbraw/zinc/69/55/34/437695534.db2.gz MKFZBNMTYOBOFQ-LLVKDONJSA-N 0 0 342.417 0.824 10 0 ECAERN CNC(=O)[C@H](NC(=O)C(=O)Nc1ccc(C(F)(F)F)cn1)C(C)C ZINC000193599752 437712036 /nfs/dbraw/zinc/71/20/36/437712036.db2.gz QNXISABEYZHGBG-SNVBAGLBSA-N 0 0 346.309 0.926 10 0 ECAERN C[C@@H]1CN(C(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2ccccc2)CC[C@@H]1O ZINC000365457167 437918066 /nfs/dbraw/zinc/91/80/66/437918066.db2.gz GXNZCHNAIZEUJF-NQZOLGFYSA-N 0 0 332.400 0.814 10 0 ECAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)[C@@H](C)N3CCN(C)CC3)C2)n1 ZINC000371651049 437973936 /nfs/dbraw/zinc/97/39/36/437973936.db2.gz WSMAGASCDSQCAK-PBHICJAKSA-N 0 0 348.495 0.769 10 0 ECAERN CN(CC(N)=O)C[C@H]1CN(CCOc2ccccc2F)CCO1 ZINC000367050395 438159704 /nfs/dbraw/zinc/15/97/04/438159704.db2.gz ORNFLYOKLPAAPK-ZDUSSCGKSA-N 0 0 325.384 0.322 10 0 ECAERN CC1(C)NC(=O)CC[C@H]1NC(=O)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000374688598 438223621 /nfs/dbraw/zinc/22/36/21/438223621.db2.gz ZBPJBWOCMBQPCQ-CHWSQXEVSA-N 0 0 346.435 0.802 10 0 ECAERN COC(=O)[C@H]1CCCN(C(=O)N[C@@H]2CCCC[C@H]2S(C)(=O)=O)C1 ZINC000368647108 438358552 /nfs/dbraw/zinc/35/85/52/438358552.db2.gz LTVIKVJTEZYDHB-YNEHKIRRSA-N 0 0 346.449 0.937 10 0 ECAERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N1CCN(C2CCC2)CC1 ZINC000378687500 438410814 /nfs/dbraw/zinc/41/08/14/438410814.db2.gz WVHJYHHTUWMPKZ-KGLIPLIRSA-N 0 0 330.450 0.828 10 0 ECAERN O=C(N[C@@H]1CCNC1=O)c1cc(I)ccc1O ZINC000597857145 439196474 /nfs/dbraw/zinc/19/64/74/439196474.db2.gz RNIQWJXXSXQIST-MRVPVSSYSA-N 0 0 346.124 0.615 10 0 ECAERN O[C@@H]1COCC[C@@H]1NCc1ncc(I)s1 ZINC000599012537 439344289 /nfs/dbraw/zinc/34/42/89/439344289.db2.gz SYEOKSGZQNFLIS-NKWVEPMBSA-N 0 0 340.186 0.987 10 0 ECAERN O[C@]1(c2cn[nH]n2)CCCN(c2ncc(Br)cn2)C1 ZINC000583616730 439489019 /nfs/dbraw/zinc/48/90/19/439489019.db2.gz KARGZYGQOPHNDE-LLVKDONJSA-N 0 0 325.170 0.845 10 0 ECAERN CCOC(=O)C1=CN=C2N=CC(I)=CN2[C@H]1O ZINC000585656122 439641931 /nfs/dbraw/zinc/64/19/31/439641931.db2.gz HMCKYDLQTZMTOT-QMMMGPOBSA-N 0 0 347.112 0.784 10 0 ECAERN CC(=O)N[C@@H]1CCCN(C(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)C1 ZINC000585976502 439657469 /nfs/dbraw/zinc/65/74/69/439657469.db2.gz BKJAFPAEBXJNCU-WCQYABFASA-N 0 0 343.383 0.798 10 0 ECAERN O=C(N[C@H]1CCC(=O)N[C@@H]1[C@H]1CCCO1)c1ccnc2ccnn21 ZINC000627351552 440143230 /nfs/dbraw/zinc/14/32/30/440143230.db2.gz VZBJDNFBWZUDGM-NVBFEUDRSA-N 0 0 329.360 0.285 10 0 ECAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)NCCCC(=O)N(C)C)CC2 ZINC000172565519 320517278 /nfs/dbraw/zinc/51/72/78/320517278.db2.gz HMTMAQJNWJLXFL-LBPRGKRZSA-N 0 0 336.440 0.884 10 0 ECAERN O=C1[C@@H](N2CCN(c3ccc4nncn4n3)CC2)CCN1C1CC1 ZINC000328684100 320727111 /nfs/dbraw/zinc/72/71/11/320727111.db2.gz WOHQGMQHHDHNEP-ZDUSSCGKSA-N 0 0 327.392 0.010 10 0 ECAERN CS(=O)(=O)NC[C@@H]1CCCN(C(=O)C[C@@H]2CCCCNC2=O)C1 ZINC000328773720 320732135 /nfs/dbraw/zinc/73/21/35/320732135.db2.gz BOSAPYMDEQNRPP-STQMWFEESA-N 0 0 345.465 0.921 10 0 ECAERN CO[C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)c3ccccc32)C[C@H]1OC ZINC000328882702 320738727 /nfs/dbraw/zinc/73/87/27/320738727.db2.gz MXASFCFPQRAQGP-BFHYXJOUSA-N 0 0 339.413 0.820 10 0 ECAERN CN1C(=O)C[C@@H](C(=O)N2CC(n3ccnn3)C2)[C@H]1c1cccnc1 ZINC000329315058 320766134 /nfs/dbraw/zinc/76/61/34/320766134.db2.gz CPOINEVKMGBDKE-UKRRQHHQSA-N 0 0 326.360 0.276 10 0 ECAERN CC(=O)N1CCc2ccc(S(=O)(=O)N[C@@H]3CCCNC3=O)cc21 ZINC000329491397 320775197 /nfs/dbraw/zinc/77/51/97/320775197.db2.gz ZGTDBBVFJPDREA-CYBMUJFWSA-N 0 0 337.401 0.993 10 0 ECAERN COc1ccc([C@H]2OCC[C@@H]2N2C(=O)N[C@]3(CCOC3)C2=O)cn1 ZINC000330067486 320802761 /nfs/dbraw/zinc/80/27/61/320802761.db2.gz ULOJAKQAORTRPE-GHJWDPDVSA-N 0 0 333.344 0.836 10 0 ECAERN COc1c(CNS(=O)(=O)CCC2CCOCC2)c(C)nn1C ZINC000330308490 320816421 /nfs/dbraw/zinc/81/64/21/320816421.db2.gz SUVJFKDSEPXEIC-UHFFFAOYSA-N 0 0 331.438 0.973 10 0 ECAERN COC[C@@H]1C[C@H](OC)CN1C(=O)C1CCN(C(=O)N(C)C)CC1 ZINC000344804473 321165378 /nfs/dbraw/zinc/16/53/78/321165378.db2.gz DSSSFLGSKWSIAP-KBPBESRZSA-N 0 0 327.425 0.642 10 0 ECAERN CCOC(=O)[C@@H]1CCCN(C(=O)[C@@]2(O)CCCN(C(C)=O)C2)C1 ZINC000347237285 321234680 /nfs/dbraw/zinc/23/46/80/321234680.db2.gz PIFWCIWDMQRCNN-CZUORRHYSA-N 0 0 326.393 0.162 10 0 ECAERN C[C@H]1CN(C(=O)c2ccc3[nH]c(=O)[nH]c3c2)C[C@@H]1N1CCOCC1 ZINC000173967124 533876882 /nfs/dbraw/zinc/87/68/82/533876882.db2.gz VQZOHWYRCNKAPU-NHYWBVRUSA-N 0 0 330.388 0.649 10 0 ECAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)NCC(=O)NCC3CC3)CCO2)n1 ZINC000183797711 534113519 /nfs/dbraw/zinc/11/35/19/534113519.db2.gz RUFUTSUGPARTPW-HNNXBMFYSA-N 0 0 349.435 0.437 10 0 ECAERN COC(=O)c1coc(S(=O)(=O)N2CC[C@@H](c3cnn(C)c3)C2)c1 ZINC000153222741 534320122 /nfs/dbraw/zinc/32/01/22/534320122.db2.gz YXCYISMMPNENDU-SNVBAGLBSA-N 0 0 339.373 0.978 10 0 ECAERN Cc1cn(-c2ccccc2)nc1C(=O)NC[C@@H](O)CN1CCOCC1 ZINC000184350872 534493927 /nfs/dbraw/zinc/49/39/27/534493927.db2.gz FBQGQLIUSXGBIW-MRXNPFEDSA-N 0 0 344.415 0.604 10 0 ECAERN Cc1nc2nc(N)nn2c(C)c1CCC(=O)N[C@@H]1CCCC[C@H]1CO ZINC000179212978 534708546 /nfs/dbraw/zinc/70/85/46/534708546.db2.gz SWBWMQKPPJLJIL-GXTWGEPZSA-N 0 0 346.435 0.923 10 0 ECAERN O=C(c1ccc2[nH]c(=O)[nH]c2c1)N1CCCN(c2cccnn2)CC1 ZINC000171554929 534721418 /nfs/dbraw/zinc/72/14/18/534721418.db2.gz VGNSTHCVHVMOEQ-UHFFFAOYSA-N 0 0 338.371 0.999 10 0 ECAERN CCOC(=O)c1nn(C)cc1CN1CCO[C@H](Cn2cccn2)C1 ZINC000186220398 528376861 /nfs/dbraw/zinc/37/68/61/528376861.db2.gz AEWNFLFBTRXYDW-AWEZNQCLSA-N 0 0 333.392 0.694 10 0 ECAERN CC(C)c1nnc2n1C[C@H](NC(=O)NCCCC(=O)N(C)C)CC2 ZINC000181517311 528478834 /nfs/dbraw/zinc/47/88/34/528478834.db2.gz DTRBZTCTLZRJQP-GFCCVEGCSA-N 0 0 336.440 0.884 10 0 ECAERN CC(C)[C@@H]1C(=O)NCCN1C(=O)Nc1ccnn1C[C@H]1CCOC1 ZINC000187790819 528645013 /nfs/dbraw/zinc/64/50/13/528645013.db2.gz YDMVRXUOFIZCPY-TZMCWYRMSA-N 0 0 335.408 0.908 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)CSc2nnc3ccccn32)CC1 ZINC000183433136 529226891 /nfs/dbraw/zinc/22/68/91/529226891.db2.gz ZQHGLTFJJTZXOS-CYBMUJFWSA-N 0 0 349.460 0.737 10 0 ECAERN CC(=O)c1ccc(S(=O)(=O)N(C)C[C@@H]2CN(C)CCO2)cc1 ZINC000074775133 545686720 /nfs/dbraw/zinc/68/67/20/545686720.db2.gz UIAHMVNBUKISRV-AWEZNQCLSA-N 0 0 326.418 0.840 10 0 ECAERN O=C(NC[C@H](O)CN1CCOCC1)c1ccc(OCC2CC2)cc1 ZINC000097374793 545731467 /nfs/dbraw/zinc/73/14/67/545731467.db2.gz CRQICZGTIQTXOM-INIZCTEOSA-N 0 0 334.416 0.898 10 0 ECAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)[C@@H]1CCCCN1S(C)(=O)=O ZINC000177692678 545874710 /nfs/dbraw/zinc/87/47/10/545874710.db2.gz MGFCXPGQSLHZHE-RYUDHWBXSA-N 0 0 341.437 0.352 10 0 ECAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NC1CCC(CO)CC1 ZINC000181026067 545884364 /nfs/dbraw/zinc/88/43/64/545884364.db2.gz VWUHOCCLGOWGIK-RUXDESIVSA-N 0 0 332.466 0.858 10 0 ECAERN CN(C)C(=O)c1cc(S(=O)(=O)NC[C@H]2CCCC[C@H]2O)cn1C ZINC000181262580 545885466 /nfs/dbraw/zinc/88/54/66/545885466.db2.gz XJKOWDAWVLVFKK-BXUZGUMPSA-N 0 0 343.449 0.556 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)C(=O)Nc2cnn(CC3CC3)c2)CC1 ZINC000189467717 545905519 /nfs/dbraw/zinc/90/55/19/545905519.db2.gz LTHOMBQKHPRVMT-HNNXBMFYSA-N 0 0 349.435 0.147 10 0 ECAERN Cn1cc([C@@H]2CS(=O)(=O)CCN2C(=O)NCCC2CC2)cn1 ZINC000190293702 545907239 /nfs/dbraw/zinc/90/72/39/545907239.db2.gz YKPZVMFTGCLZGV-ZDUSSCGKSA-N 0 0 326.422 0.701 10 0 ECAERN C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1cnc(C2CC2)nc1 ZINC000249176610 545944535 /nfs/dbraw/zinc/94/45/35/545944535.db2.gz MFVWYULBWVHLHK-FZMZJTMJSA-N 0 0 329.404 0.988 10 0 ECAERN CCn1cc(O[C@@H]2CN(c3nc(OC)cc(OC)n3)C[C@H]2O)cn1 ZINC000624420867 546922157 /nfs/dbraw/zinc/92/21/57/546922157.db2.gz CRAVPXJJCBZVLM-VXGBXAGGSA-N 0 0 335.364 0.339 10 0 ECAERN CCn1cc(O[C@@H]2CN(CC(=O)N(C)Cc3ccco3)C[C@H]2O)cn1 ZINC000625622457 547178837 /nfs/dbraw/zinc/17/88/37/547178837.db2.gz KHSQDYOAZADGKQ-HZPDHXFCSA-N 0 0 348.403 0.579 10 0 ECAERN CCc1ccccc1S(=O)(=O)N1CC[C@@](O)(Cn2ccnn2)C1 ZINC000671432041 548147290 /nfs/dbraw/zinc/14/72/90/548147290.db2.gz VISLILWZDXZESW-OAHLLOKOSA-N 0 0 336.417 0.666 10 0 ECAERN CC(C)(C)OC(=O)N1CCC[C@]2(CC(=O)O[C@H]2CS(N)(=O)=O)C1 ZINC000757228192 579460224 /nfs/dbraw/zinc/46/02/24/579460224.db2.gz WZWMOGGJLZJRBU-HZMBPMFUSA-N 0 0 348.421 0.608 10 0 ECAERN CO[C@H]1CCCCN(CC(=O)N2CCC(Cn3cncn3)CC2)C1=O ZINC000888075987 586245466 /nfs/dbraw/zinc/24/54/66/586245466.db2.gz MBBJUFWNHMBNGO-HNNXBMFYSA-N 0 0 349.435 0.544 10 0 ECAERN COc1ccnc(CN2CCC[C@](O)(Cc3nncn3C)C2)c1OC ZINC000888077657 586245998 /nfs/dbraw/zinc/24/59/98/586245998.db2.gz NWLQZCWZRIPBOA-KRWDZBQOSA-N 0 0 347.419 0.797 10 0 ECAERN NC(=O)[C@@H]1CC[C@H](C(=O)NC2COCCOC2)N1Cc1ccccc1 ZINC000888094761 586348902 /nfs/dbraw/zinc/34/89/02/586348902.db2.gz BPQNMXBWTPLWTG-JKSUJKDBSA-N 0 0 347.415 0.037 10 0 ECAERN Cn1ccc(CNC(=O)[C@H]2CC[C@@H](C(N)=O)N2Cc2ccccc2)n1 ZINC000888095753 586349642 /nfs/dbraw/zinc/34/96/42/586349642.db2.gz XLGGYIZRJNZTFL-JKSUJKDBSA-N 0 0 341.415 0.555 10 0 ECAERN CCOc1ccncc1S(=O)(=O)N[C@@H]1C[C@@H](O)C12CCOCC2 ZINC000888099028 586350115 /nfs/dbraw/zinc/35/01/15/586350115.db2.gz PEYRYQZJFWWBIP-ZIAGYGMSSA-N 0 0 342.417 0.689 10 0 ECAERN CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)N1CCN(c2nc[nH]n2)CC1 ZINC000898318031 586415428 /nfs/dbraw/zinc/41/54/28/586415428.db2.gz FVKSTOFHKBXWPD-CHWSQXEVSA-N 0 0 345.407 0.448 10 0 ECAERN CN1C(=O)N[C@@]2(CCN(C(=O)c3ccnc(NC4CCC4)c3)C2)C1=O ZINC000900477934 586634907 /nfs/dbraw/zinc/63/49/07/586634907.db2.gz HYMBBNVEELUSMO-QGZVFWFLSA-N 0 0 343.387 0.812 10 0 ECAERN CC1=C(C)C(=O)N(CCC(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)C1=O ZINC000900881871 586672585 /nfs/dbraw/zinc/67/25/85/586672585.db2.gz UZXKWVZJOFDDGD-WFASDCNBSA-N 0 0 349.431 0.261 10 0 ECAERN CN(C[C@@H]1CCn2ccnc2C1)C(=O)c1ccnn1CC[NH+](C)C ZINC000907569801 586737015 /nfs/dbraw/zinc/73/70/15/586737015.db2.gz OKCUPZYRAFVAMG-CQSZACIVSA-N 0 0 330.436 0.976 10 0 ECAERN Cc1nc([C@H]2CCCN(C(=O)CCNC(=O)CO)C2)sc1C ZINC000906808275 586982387 /nfs/dbraw/zinc/98/23/87/586982387.db2.gz CURLDAPVMRVIII-LBPRGKRZSA-N 0 0 325.434 0.965 10 0 ECAERN CCCS(=O)(=O)CCN1CCN([C@H](C)c2nc(C)no2)CC1 ZINC000105864784 589143335 /nfs/dbraw/zinc/14/33/35/589143335.db2.gz NBVALSQDJYPPED-GFCCVEGCSA-N 0 0 330.454 0.881 10 0 ECAERN CCc1nn(C)c(Cl)c1CN1CCN(CCS(C)(=O)=O)CC1 ZINC000105903543 589149549 /nfs/dbraw/zinc/14/95/49/589149549.db2.gz OPSXQQUJTIZMNL-UHFFFAOYSA-N 0 0 348.900 0.798 10 0 ECAERN O[C@@H]1CN(Cc2cn[nH]n2)C[C@H]1Oc1cnn(Cc2ccccc2)c1 ZINC000859390717 589829830 /nfs/dbraw/zinc/82/98/30/589829830.db2.gz AXKRFZXOEFHHHO-IAGOWNOFSA-N 0 0 340.387 0.674 10 0 ECAERN CCn1nccc1CN1CC(N2C[C@H](c3nc(C)no3)CC2=O)C1 ZINC000864309948 590068446 /nfs/dbraw/zinc/06/84/46/590068446.db2.gz ASAONXIFWIEKKZ-GFCCVEGCSA-N 0 0 330.392 0.795 10 0 ECAERN C[C@@H]1CN(Cn2nc(-c3ccc(F)cc3)ccc2=O)C[C@@H](C(N)=O)O1 ZINC000120238142 590103086 /nfs/dbraw/zinc/10/30/86/590103086.db2.gz VZEPYZWYLGEPKG-ABAIWWIYSA-N 0 0 346.362 0.582 10 0 ECAERN O=C(C[C@H]1CS(=O)(=O)CCN1)NCc1ccc(F)c(Cl)c1 ZINC000126737034 590483883 /nfs/dbraw/zinc/48/38/83/590483883.db2.gz SELSJOWPVCMASH-JTQLQIEISA-N 0 0 334.800 0.872 10 0 ECAERN Cn1nccc1[C@H]1[C@H](CNC(=O)c2ccc(=O)[nH]c2)OCCN1C ZINC000886027219 590787297 /nfs/dbraw/zinc/78/72/97/590787297.db2.gz NXPSMLOIFIRYBK-ZFWWWQNUSA-N 0 0 331.376 0.322 10 0 ECAERN CO[C@@H]1CCCCN(CC(=O)NCc2cnc(N(C)C)n2C)C1=O ZINC000886075564 590790976 /nfs/dbraw/zinc/79/09/76/590790976.db2.gz ODLNFNZYZLJCRH-CYBMUJFWSA-N 0 0 337.424 0.130 10 0 ECAERN CC(=O)N1CC(C(=O)N[C@H]2CC[C@H](C(F)(F)F)N(C(C)=O)C2)C1 ZINC000886085238 590793550 /nfs/dbraw/zinc/79/35/50/590793550.db2.gz IJLJSUYCCOGTAS-NWDGAFQWSA-N 0 0 335.326 0.523 10 0 ECAERN COc1ccc(C(=O)N2CCC[C@](O)(Cc3nncn3C)C2)cn1 ZINC000886095383 590794634 /nfs/dbraw/zinc/79/46/34/590794634.db2.gz UNOIZDMEUULAFH-INIZCTEOSA-N 0 0 331.376 0.429 10 0 ECAERN Cn1cc(Br)c(C(=O)N[C@@]2(c3ncc[nH]3)CCOC2)n1 ZINC000886096384 590795280 /nfs/dbraw/zinc/79/52/80/590795280.db2.gz DFMDRBIQPQCQNY-LBPRGKRZSA-N 0 0 340.181 0.951 10 0 ECAERN O=C(C[C@H]1CCC(=O)NC1)N1CC(OCc2nc(C3CC3)no2)C1 ZINC000886097236 590795493 /nfs/dbraw/zinc/79/54/93/590795493.db2.gz VHSWJQPSKLHHCI-SNVBAGLBSA-N 0 0 334.376 0.591 10 0 ECAERN COc1ncccc1C(=O)N1CCC[C@](O)(Cc2nncn2C)C1 ZINC000886095512 590795686 /nfs/dbraw/zinc/79/56/86/590795686.db2.gz YNSWEIBEOZZZGR-INIZCTEOSA-N 0 0 331.376 0.429 10 0 ECAERN C[C@H](NC(=O)N1CCO[C@H](Cn2cccn2)C1)c1nnnn1C1CC1 ZINC000188763262 611378814 /nfs/dbraw/zinc/37/88/14/611378814.db2.gz BJHIIFVVIFGWJY-AAEUAGOBSA-N 0 0 346.395 0.376 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)N[C@H](C)c1nnnn1C1CC1)CC2 ZINC000188986815 611457256 /nfs/dbraw/zinc/45/72/56/611457256.db2.gz BCZRZDJUCWTWFJ-ZJUUUORDSA-N 0 0 345.411 0.537 10 0 ECAERN O=C(CCc1nnc[nH]1)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000177199693 608926450 /nfs/dbraw/zinc/92/64/50/608926450.db2.gz JVZQMNBAXYCWOW-HNNXBMFYSA-N 0 0 329.404 0.615 10 0 ECAERN O=C(c1cnc2c(O)cccn2c1=O)N1CCO[C@H](C(F)(F)F)C1 ZINC000071662473 608957493 /nfs/dbraw/zinc/95/74/93/608957493.db2.gz ZIGUDNACBDWDKO-JTQLQIEISA-N 0 0 343.261 0.803 10 0 ECAERN CCN(CC)C(=O)COCC(=O)NCCc1nnc2ccccn21 ZINC000222421658 609072110 /nfs/dbraw/zinc/07/21/10/609072110.db2.gz OUGVKZZSDUKRHN-UHFFFAOYSA-N 0 0 333.392 0.273 10 0 ECAERN Cc1ccc(C(=O)NCc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)s1 ZINC000222469690 609078018 /nfs/dbraw/zinc/07/80/18/609078018.db2.gz CGBLDDICHNVDHH-UHFFFAOYSA-N 0 0 333.373 0.260 10 0 ECAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccc2nncn2c1 ZINC000179629614 609091247 /nfs/dbraw/zinc/09/12/47/609091247.db2.gz NWWMPDRDGZZNJI-LBPRGKRZSA-N 0 0 337.405 0.872 10 0 ECAERN C[C@H](O)CNC(=O)[C@H]1CN(C(=O)c2ccco2)Cc2cccnc21 ZINC000222678560 609105104 /nfs/dbraw/zinc/10/51/04/609105104.db2.gz FLWVJBHTLDCMCT-AAEUAGOBSA-N 0 0 329.356 0.911 10 0 ECAERN O=C(CNC(=O)Cc1ccccc1)N[C@@H]1C[C@@H](O)[C@H]1n1cccn1 ZINC000909154350 609678999 /nfs/dbraw/zinc/67/89/99/609678999.db2.gz KOMHRTAVBRCXFM-CPUCHLNUSA-N 0 0 328.372 0.033 10 0 ECAERN O=C(N[C@@H]1C[C@H](O)[C@@H]1n1cccn1)[C@]1(O)CCc2ccccc2C1 ZINC000909181313 609681265 /nfs/dbraw/zinc/68/12/65/609681265.db2.gz LXIZCLCGCFSQKF-HPFXQQBRSA-N 0 0 327.384 0.594 10 0 ECAERN CS(=O)(=O)N1CCCN(S(=O)(=O)/C=C\c2ccccc2)CC1 ZINC000209478511 609696435 /nfs/dbraw/zinc/69/64/35/609696435.db2.gz VBNFNIYAWYHYQD-JYRVWZFOSA-N 0 0 344.458 0.954 10 0 ECAERN COc1cccc([C@@H](O)C(=O)N2CCO[C@@H](Cn3cccn3)C2)c1 ZINC000163986933 609696452 /nfs/dbraw/zinc/69/64/52/609696452.db2.gz VHGPMUGBXMSQKM-HZPDHXFCSA-N 0 0 331.372 0.853 10 0 ECAERN Cc1nonc1CN1CCN(C(=O)[C@@H]2CO[C@@H]3C=CC=C[C@@H]3O2)CC1 ZINC000222308877 609699509 /nfs/dbraw/zinc/69/95/09/609699509.db2.gz IMDBJTFVWORJIW-PMPSAXMXSA-N 0 0 346.387 0.301 10 0 ECAERN O=C(CCN1C(=O)CCC1=O)N1CCn2c(nnc2C(F)(F)F)C1 ZINC000223494712 609711819 /nfs/dbraw/zinc/71/18/19/609711819.db2.gz WZPBTTFVVZOABU-UHFFFAOYSA-N 0 0 345.281 0.178 10 0 ECAERN O=C(NCC1(CN2CCOCC2)CC1)[C@@H]1CO[C@@H]2C=CC=C[C@@H]2O1 ZINC000223566027 609712609 /nfs/dbraw/zinc/71/26/09/609712609.db2.gz LFKAJRRMRJGEKY-PMPSAXMXSA-N 0 0 334.416 0.494 10 0 ECAERN CC[C@H](C)[C@@H]1Nc2ncnc(NCC(=O)N3CCOCC3)c2NC1=O ZINC000224000537 609716240 /nfs/dbraw/zinc/71/62/40/609716240.db2.gz SUOLYFYIUUPIPP-JQWIXIFHSA-N 0 0 348.407 0.526 10 0 ECAERN Cc1nn(C)c(C)c1CN1CCN(CC(=O)N2CCO[C@@H](C)C2)CC1 ZINC000171591769 609762377 /nfs/dbraw/zinc/76/23/77/609762377.db2.gz DNAYGTSLBQEFAN-AWEZNQCLSA-N 0 0 349.479 0.402 10 0 ECAERN C[C@@H](O)CN1CCN(C(=O)c2cnn(-c3ccc(F)cc3)n2)C[C@@H]1C ZINC000174347731 609790742 /nfs/dbraw/zinc/79/07/42/609790742.db2.gz CBNLYIKZWXMOMS-QWHCGFSZSA-N 0 0 347.394 0.934 10 0 ECAERN COC1(OC)CC(NC(=O)[C@H]2COCCN2C(=O)OC(C)(C)C)C1 ZINC000911028590 609791417 /nfs/dbraw/zinc/79/14/17/609791417.db2.gz QHTOVOUCAQOENN-GFCCVEGCSA-N 0 0 344.408 0.890 10 0 ECAERN CCN1C(=O)CN(CN2CCN([C@H](C)c3nc(C)no3)CC2)C1=O ZINC000152638782 609870284 /nfs/dbraw/zinc/87/02/84/609870284.db2.gz AOBJKYYCCJQWJJ-LLVKDONJSA-N 0 0 336.396 0.298 10 0 ECAERN CC1=C(C(=O)N2CC[C@@H](n3ccnn3)C2)[C@@H](C)n2ncnc2N1C ZINC000911830312 609914162 /nfs/dbraw/zinc/91/41/62/609914162.db2.gz KKFWRNQQKPHQSZ-VXGBXAGGSA-N 0 0 328.380 0.628 10 0 ECAERN COc1ccccc1N1C[C@H](C(=O)N2CCOC[C@@H]2CO)CC1=O ZINC000912428971 609955019 /nfs/dbraw/zinc/95/50/19/609955019.db2.gz YOBRHOSALKAIOC-OLZOCXBDSA-N 0 0 334.372 0.268 10 0 ECAERN O=C(c1cc(N2CCNC2=O)ccc1Cl)N1CCOC[C@@H]1CO ZINC000912419247 609957018 /nfs/dbraw/zinc/95/70/18/609957018.db2.gz BBLSPELXXGXRCN-NSHDSACASA-N 0 0 339.779 0.703 10 0 ECAERN O=C([C@H]1CC(c2c(F)cccc2F)=NO1)N1CCOC[C@H]1CO ZINC000912424274 609957977 /nfs/dbraw/zinc/95/79/77/609957977.db2.gz CXUFKXVENIJLGB-NOZJJQNGSA-N 0 0 326.299 0.678 10 0 ECAERN CCS(=O)(=O)N[C@@H](C)C(=O)N1CC[C@H](n2cc(C3CC3)nn2)C1 ZINC000912941598 610022980 /nfs/dbraw/zinc/02/29/80/610022980.db2.gz QJJJVROLCSVBDK-JQWIXIFHSA-N 0 0 341.437 0.257 10 0 ECAERN CCS(=O)(=O)N[C@@H](C)C(=O)N1CC[C@@H](n2cc(C3CC3)nn2)C1 ZINC000912941597 610023044 /nfs/dbraw/zinc/02/30/44/610023044.db2.gz QJJJVROLCSVBDK-CMPLNLGQSA-N 0 0 341.437 0.257 10 0 ECAERN CN1C(=O)CN(CN2CCN(C[C@H](O)c3ccccc3)CC2)C1=O ZINC000182282552 610284497 /nfs/dbraw/zinc/28/44/97/610284497.db2.gz GTJCKIQFAMICJH-HNNXBMFYSA-N 0 0 332.404 0.189 10 0 ECAERN Nc1nc2nc[nH]c2c(N2CCC[C@]3(CCC(=O)N(CCO)C3)C2)n1 ZINC000082135860 612321713 /nfs/dbraw/zinc/32/17/13/612321713.db2.gz NSRDIZJWSXUKIJ-MRXNPFEDSA-N 0 0 345.407 0.136 10 0 ECAERN CC[C@@]1(c2cnn(C)c2)NC(=O)N(CN2CCS[C@@H](C)C2)C1=O ZINC000245675531 612710581 /nfs/dbraw/zinc/71/05/81/612710581.db2.gz FULKNAJLMHZZQH-NHYWBVRUSA-N 0 0 337.449 0.972 10 0 ECAERN CC[C@@H]1CN(CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)CC[N@@H+]1CCOC ZINC000247136665 612824588 /nfs/dbraw/zinc/82/45/88/612824588.db2.gz PAJOWBKEYARQEW-PMPSAXMXSA-N 0 0 335.448 0.938 10 0 ECAERN C[C@@H](O)[C@@H](C)NS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O ZINC000344893736 736177743 /nfs/dbraw/zinc/17/77/43/736177743.db2.gz CPBPBFDLBOGUFC-GHMZBOCLSA-N 0 0 340.401 0.361 10 0 ECAERN O=C1[C@@H]([NH+]2CCC(Nc3cccnn3)CC2)CCN1C1CCOCC1 ZINC000328632355 740210851 /nfs/dbraw/zinc/21/08/51/740210851.db2.gz AHGQXLUDWPURFQ-INIZCTEOSA-N 0 0 345.447 1.133 10 0 ECAERN O=C1[C@@H](N2CCCN(c3cccnn3)CC2)CCN1C1CCOCC1 ZINC000328675502 740276640 /nfs/dbraw/zinc/27/66/40/740276640.db2.gz QVWPVNUZNNLQKH-INIZCTEOSA-N 0 0 345.447 0.769 10 0 ECAERN CN(C)Cc1cnc(CN2CCC[C@@H](n3cnc(C(N)=O)n3)C2)s1 ZINC000329651356 741523601 /nfs/dbraw/zinc/52/36/01/741523601.db2.gz CURSTUVOQAGURQ-LLVKDONJSA-N 0 0 349.464 0.732 10 0 ECAERN Cc1cc(C(=O)N[C@@H]2CCCN(c3cc(C)nn3C)C2=O)n(C)n1 ZINC000175004474 231365412 /nfs/dbraw/zinc/36/54/12/231365412.db2.gz ODNBDKPDIJGVHK-GFCCVEGCSA-N 0 0 330.392 0.696 10 0 ECAERN COC(=O)[C@@H]1CCCN(C(=O)NCCn2c3ccccc3[nH]c2=O)C1 ZINC000175051608 231376036 /nfs/dbraw/zinc/37/60/36/231376036.db2.gz LFWKOWGQKZPQIT-GFCCVEGCSA-N 0 0 346.387 0.924 10 0 ECAERN CCC(CC)[C@H](C(=O)NC[C@@H]1CN(C)CCO1)N1CCOCC1 ZINC000173337774 282254518 /nfs/dbraw/zinc/25/45/18/282254518.db2.gz MYNSXNTVKUKFDG-HZPDHXFCSA-N 0 0 327.469 0.570 10 0 ECAERN CN1CCO[C@@H](CNC(=O)CCCc2ccc3c(c2)CC(=O)N3)C1 ZINC000171481173 529783343 /nfs/dbraw/zinc/78/33/43/529783343.db2.gz RVLMXYOOTSKOJV-HNNXBMFYSA-N 0 0 331.416 0.951 10 0 ECAERN CN1CCO[C@H](CNC(=O)C(=O)Nc2cccc(-c3ncco3)c2)C1 ZINC000153179911 529788999 /nfs/dbraw/zinc/78/89/99/529788999.db2.gz YLGMSVSUVZDOHY-CQSZACIVSA-N 0 0 344.371 0.727 10 0 ECAERN CNC(=O)Cn1cc(NC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)cn1 ZINC000179458930 529876613 /nfs/dbraw/zinc/87/66/13/529876613.db2.gz JAUNBCLDJVTOED-WBMJQRKESA-N 0 0 335.408 0.788 10 0 ECAERN O=C(NC[C@@H](O)CN1CCOCC1)c1cnc(-c2ccco2)s1 ZINC000179475702 233082080 /nfs/dbraw/zinc/08/20/80/233082080.db2.gz VKTTTZHRDFDURN-LLVKDONJSA-N 0 0 337.401 0.826 10 0 ECAERN O=C(NC[C@H]1CCCC[C@H]1O)C(=O)Nc1cccc(-n2ccnn2)c1 ZINC000127311656 222822640 /nfs/dbraw/zinc/82/26/40/222822640.db2.gz WPBAQCMOMITYMG-IUODEOHRSA-N 0 0 343.387 0.873 10 0 ECAERN CC1(C)O[C@@H]2[C@@H](CO)O[C@@H](n3cnc4c3ncnc4Cl)[C@H]2O1 ZINC000038599829 213216117 /nfs/dbraw/zinc/21/61/17/213216117.db2.gz VDYNZOUPLVQLRV-QRKAXHLRSA-N 0 0 326.740 0.890 10 0 in-vitro ECAERN CCNC(=O)CNS(=O)(=O)c1ccc(Br)cc1N ZINC000036780196 213118466 /nfs/dbraw/zinc/11/84/66/213118466.db2.gz ZHDOBEYBQMLTKM-UHFFFAOYSA-N 0 0 336.211 0.446 10 0 ECAERN O=C(Nc1ccc2[nH]ccc2c1)C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000187978499 236366849 /nfs/dbraw/zinc/36/68/49/236366849.db2.gz YPKAUOCLFUOFDE-UHFFFAOYSA-N 0 0 326.356 0.843 10 0 ECAERN COC(=O)C[C@H]1CCCCN1S(=O)(=O)c1sc(=O)[nH]c1C ZINC000038027067 291156363 /nfs/dbraw/zinc/15/63/63/291156363.db2.gz FBPOLAFYTIUXKY-SECBINFHSA-N 0 0 334.419 0.851 10 0 ECAERN O=c1oc2cc(O[C@@H]3OC[C@H](O)[C@@H](O)[C@@H]3O)ccc2c2c1CCC2 ZINC000033438650 212938852 /nfs/dbraw/zinc/93/88/52/212938852.db2.gz CXPNYILRTMRVFZ-GUSZCTEKSA-N 0 0 334.324 0.100 10 0 ECAERN Nc1nc2c(c(=O)[nH]1)CCN(C(=O)C[C@@H]1NC(=O)c3ccccc31)C2 ZINC000072143271 216028622 /nfs/dbraw/zinc/02/86/22/216028622.db2.gz ALLJIZZCHQMPHX-LBPRGKRZSA-N 0 0 339.355 0.112 10 0 ECAERN COc1cc2c(cc1OC)CN(C(=O)CN1CCN(C=O)CC1)CC2 ZINC000072445828 216235995 /nfs/dbraw/zinc/23/59/95/216235995.db2.gz JAQYJWOYORZTKR-UHFFFAOYSA-N 0 0 347.415 0.363 10 0 ECAERN O=c1c2nnc3ncnn3c2ccn1Cc1ccc2c(c1)OCCO2 ZINC000072471304 216250031 /nfs/dbraw/zinc/25/00/31/216250031.db2.gz MYZWUASEFGPBQP-UHFFFAOYSA-N 0 0 336.311 0.654 10 0 ECAERN O=C1c2ccccc2C(=O)N1C[C@@H](O)CN(CCO)CC(F)F ZINC000193406244 240151981 /nfs/dbraw/zinc/15/19/81/240151981.db2.gz ZDKKGDQXFZRCLY-JTQLQIEISA-N 0 0 328.315 0.203 10 0 ECAERN C[C@@H]1C[C@@H]1NC(=O)C(=O)Nc1cc(F)c(S(C)(=O)=O)c(F)c1 ZINC000076097806 216713297 /nfs/dbraw/zinc/71/32/97/216713297.db2.gz KGYDOQSNQOPRRN-LDWIPMOCSA-N 0 0 332.328 0.831 10 0 ECAERN CN1CCNC(=O)[C@@H]1CC(=O)NCCc1cnn(-c2ccccc2)c1 ZINC000020202711 212111325 /nfs/dbraw/zinc/11/13/25/212111325.db2.gz IHIIMZVJEFXKDX-INIZCTEOSA-N 0 0 341.415 0.351 10 0 ECAERN CN(C)c1cnn(CC(=O)NCc2nc3ccccc3[nH]2)c(=O)c1 ZINC000019144464 212001406 /nfs/dbraw/zinc/00/14/06/212001406.db2.gz UKWWZYJFKQAPFG-UHFFFAOYSA-N 0 0 326.360 0.502 10 0 ECAERN COCc1nc2n(n1)C[C@H](NC(=O)[C@@H](C)NC(=O)c1ccco1)CC2 ZINC000135144554 223553559 /nfs/dbraw/zinc/55/35/59/223553559.db2.gz BFSVKONNXJLFQM-GHMZBOCLSA-N 0 0 347.375 0.267 10 0 ECAERN C[C@@H](NC(=O)c1ccco1)C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O ZINC000112056927 220234223 /nfs/dbraw/zinc/23/42/23/220234223.db2.gz JZSPCFAKMUBTKB-BDAKNGLRSA-N 0 0 347.293 0.677 10 0 ECAERN C[C@@H](NC(=O)c1ccco1)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000112056922 220235316 /nfs/dbraw/zinc/23/53/16/220235316.db2.gz JZSPCFAKMUBTKB-RKDXNWHRSA-N 0 0 347.293 0.677 10 0 ECAERN Nc1nc2nc[nH]c2c(N2CCC[C@@]3(CCC(=O)N(CCO)C3)C2)n1 ZINC000082134026 217475120 /nfs/dbraw/zinc/47/51/20/217475120.db2.gz NSRDIZJWSXUKIJ-INIZCTEOSA-N 0 0 345.407 0.136 10 0 ECAERN Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1CCOC[C@H]1C(N)=O ZINC000091783363 218065871 /nfs/dbraw/zinc/06/58/71/218065871.db2.gz WRMGAKUQRNVVNL-INIZCTEOSA-N 0 0 342.399 0.744 10 0 ECAERN CCc1nnc(CN2CCN(c3ccc4nncn4n3)CC2)n1C ZINC000171558646 207651055 /nfs/dbraw/zinc/65/10/55/207651055.db2.gz QOAHMCWKAUUPDQ-UHFFFAOYSA-N 0 0 327.396 0.137 10 0 ECAERN COC1(CNC(=O)N2CCN(c3ccc4nncn4n3)CC2)CCC1 ZINC000181806716 532997133 /nfs/dbraw/zinc/99/71/33/532997133.db2.gz JRZMMQQAWPOBJJ-UHFFFAOYSA-N 0 0 345.407 0.525 10 0 ECAERN Cc1nc(CN2CCN(C(=O)[C@@H](C)NC(=O)c3ccco3)CC2)no1 ZINC000112294927 220289081 /nfs/dbraw/zinc/28/90/81/220289081.db2.gz HCMKVFJANBJKDM-LLVKDONJSA-N 0 0 347.375 0.434 10 0 ECAERN CCn1cc(CN2CCCN(S(=O)(=O)CCCOC)CC2)cn1 ZINC000112707455 220381666 /nfs/dbraw/zinc/38/16/66/220381666.db2.gz ZOIBCZMFNAPOMQ-UHFFFAOYSA-N 0 0 344.481 0.777 10 0 ECAERN O=c1cc(C(F)(F)F)nc(N2CCN(c3ncccn3)CC2)[nH]1 ZINC000057342517 285216680 /nfs/dbraw/zinc/21/66/80/285216680.db2.gz JOULHFWDKXEBIW-UHFFFAOYSA-N 0 0 326.282 0.905 10 0 ECAERN COCCN1CCN(C(=O)C(=O)Nc2ccccc2N(C)C)C[C@H]1C ZINC000117522575 221074277 /nfs/dbraw/zinc/07/42/77/221074277.db2.gz QGPVMQQBIBYSGS-CQSZACIVSA-N 0 0 348.447 0.870 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)c2nc3ccccc3c(=O)[nH]2)CC1 ZINC000118751886 221177181 /nfs/dbraw/zinc/17/71/81/221177181.db2.gz IIRFUBGPSCQFFR-LBPRGKRZSA-N 0 0 330.388 0.452 10 0 ECAERN CN(C)S(=O)(=O)N1C[C@H]2COC[C@@]2(COCc2ccccn2)C1 ZINC000247948461 257672593 /nfs/dbraw/zinc/67/25/93/257672593.db2.gz KSLHXBWNIASOCI-DZGCQCFKSA-N 0 0 341.433 0.353 10 0 ECAERN CCS(=O)(=O)N1CC(CNC(=O)N2CC[C@]3(CCOC3)C2)C1 ZINC000333052510 297104855 /nfs/dbraw/zinc/10/48/55/297104855.db2.gz HDWHJFHEWPPMJS-AWEZNQCLSA-N 0 0 331.438 0.090 10 0 ECAERN Cc1cnn(CCNC(=O)N2CCN([C@H](C)C(=O)NC3CC3)CC2)c1 ZINC000126217079 296657136 /nfs/dbraw/zinc/65/71/36/296657136.db2.gz CTFIXSMJWLNXMU-CQSZACIVSA-N 0 0 348.451 0.186 10 0 ECAERN CCCCn1c(N)c(N(CC)Cc2nnc(C)n2CC)c(=O)[nH]c1=O ZINC000154781466 296698490 /nfs/dbraw/zinc/69/84/90/296698490.db2.gz MRQLDHMAGGXIOQ-UHFFFAOYSA-N 0 0 349.439 0.865 10 0 ECAERN CCOc1c(Cl)cccc1CC(=O)N1CCOC[C@H]1C(N)=O ZINC000189936024 286552108 /nfs/dbraw/zinc/55/21/08/286552108.db2.gz BCHRKAYZYGEDDV-LBPRGKRZSA-N 0 0 326.780 0.994 10 0 ECAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)CNC(=O)c1cccnc1 ZINC000125595288 164665162 /nfs/dbraw/zinc/66/51/62/164665162.db2.gz ACZSQYDNTIXOTP-LBPRGKRZSA-N 0 0 328.376 0.617 10 0 ECAERN CS(=O)(=O)c1cc(C(=O)N2CC[C@H](N3CCOCC3)C2)cs1 ZINC000163784113 164816326 /nfs/dbraw/zinc/81/63/26/164816326.db2.gz XJTPAZJGJFBGMJ-LBPRGKRZSA-N 0 0 344.458 0.698 10 0 ECAERN O=C(Cc1ccccc1)NCC(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000171664427 164832956 /nfs/dbraw/zinc/83/29/56/164832956.db2.gz ZNWKSNLBQGFFRW-OAHLLOKOSA-N 0 0 327.388 0.801 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)N1CCC[C@@H](C3OCCO3)C1)CC2 ZINC000172041198 164839729 /nfs/dbraw/zinc/83/97/29/164839729.db2.gz NMUNJSOHNKZBED-OLZOCXBDSA-N 0 0 349.435 0.950 10 0 ECAERN Cc1nc(CN2CCCN(C(=O)Cc3c(C)n[nH]c3C)CC2)no1 ZINC000174998310 164878009 /nfs/dbraw/zinc/87/80/09/164878009.db2.gz RTXRGMIOWDDTPA-UHFFFAOYSA-N 0 0 332.408 0.995 10 0 ECAERN CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)N2CCC(c3cc[nH]n3)CC2)O1 ZINC000181240417 164941305 /nfs/dbraw/zinc/94/13/05/164941305.db2.gz SFRFJRJRGGCTHA-DZGCQCFKSA-N 0 0 349.435 0.935 10 0 ECAERN C[C@@H]1C(=O)NCCCN1C(=O)COc1ccc2ccc(=O)oc2c1 ZINC000188954927 165004182 /nfs/dbraw/zinc/00/41/82/165004182.db2.gz BZXLDKRFBSEEKW-LLVKDONJSA-N 0 0 330.340 0.909 10 0 ECAERN COCCN1CCCN(C(=O)[C@H](Cc2ccccc2)N(C)C)CC1=O ZINC000189058846 165005938 /nfs/dbraw/zinc/00/59/38/165005938.db2.gz UYZGCFRZIFWLPK-KRWDZBQOSA-N 0 0 347.459 0.867 10 0 ECAERN C[C@@H]1C(=O)NCCCN1CC(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000189263303 165006946 /nfs/dbraw/zinc/00/69/46/165006946.db2.gz IQOCWTSNMXEGRM-GFCCVEGCSA-N 0 0 344.415 0.728 10 0 ECAERN O=C(Cc1ccccc1)NCCC(=O)N1CC(NC(=O)C2CC2)C1 ZINC000189499041 165011495 /nfs/dbraw/zinc/01/14/95/165011495.db2.gz ASQNDLKINQYGMR-UHFFFAOYSA-N 0 0 329.400 0.472 10 0 ECAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NC[C@](C)(O)c1ccccc1Cl ZINC000189923611 165017192 /nfs/dbraw/zinc/01/71/92/165017192.db2.gz NWLVLGDBFMLFMC-XFJVYGCCSA-N 0 0 340.807 0.645 10 0 ECAERN Cc1cc(C)c(N2CC[C@H](NC(=O)[C@H]3CNC(=O)C3)C2=O)c(C)c1 ZINC000190559695 165022859 /nfs/dbraw/zinc/02/28/59/165022859.db2.gz HEQAGENOYLKQLG-KGLIPLIRSA-N 0 0 329.400 0.969 10 0 ECAERN C[C@@H]1C(=O)NCCCN1C(=O)C(=O)Nc1cc(CC(C)(C)C)nn1C ZINC000190670526 165024365 /nfs/dbraw/zinc/02/43/65/165024365.db2.gz BNQBBNITRWZLPT-LLVKDONJSA-N 0 0 349.435 0.684 10 0 ECAERN CCn1cc([C@@H]2CN([C@@H](C)C(=O)NC[C@@H]3CCCO3)CCO2)cn1 ZINC000190823942 165025947 /nfs/dbraw/zinc/02/59/47/165025947.db2.gz UHUARVCOEAYFKH-BPUTZDHNSA-N 0 0 336.436 0.960 10 0 ECAERN C[C@@H]1C(=O)NCCCN1C(=O)NCc1ccnc(-n2cccn2)c1 ZINC000191192267 165031472 /nfs/dbraw/zinc/03/14/72/165031472.db2.gz GQINQHXJBRDXFK-GFCCVEGCSA-N 0 0 328.376 0.687 10 0 ECAERN C[C@H](C1CC1)n1nccc1NC(=O)C(=O)N1CCCNC(=O)[C@H]1C ZINC000192101435 165041287 /nfs/dbraw/zinc/04/12/87/165041287.db2.gz COFIOANDKPMWMK-GHMZBOCLSA-N 0 0 333.392 0.530 10 0 ECAERN CN1CCO[C@H](CNC(=O)Cn2cc(Br)ccc2=O)C1 ZINC000194613305 165068242 /nfs/dbraw/zinc/06/82/42/165068242.db2.gz LLNAVMGDAVUSLR-LLVKDONJSA-N 0 0 344.209 0.058 10 0 ECAERN CCC(CC)NC(=O)[C@H](C)S(=O)(=O)Cc1nnnn1C(C)C ZINC000195429276 165081495 /nfs/dbraw/zinc/08/14/95/165081495.db2.gz JKLSORHDGJFFGK-JTQLQIEISA-N 0 0 331.442 0.862 10 0 ECAERN CCN1CCO[C@@H](C(=O)N(C)[C@H]2CCCN(c3cccnn3)C2)C1 ZINC000245469772 165107147 /nfs/dbraw/zinc/10/71/47/165107147.db2.gz VPNYKGDZOYQAOB-LSDHHAIUSA-N 0 0 333.436 0.625 10 0 ECAERN Cc1ccc(Cl)c(OC[C@@H](O)CN2CCOC[C@H]2C(N)=O)c1 ZINC000248551388 165178694 /nfs/dbraw/zinc/17/86/94/165178694.db2.gz GRFGYWPBFPFKTJ-AAEUAGOBSA-N 0 0 328.796 0.574 10 0 ECAERN CCN(CC1CC1)S(=O)(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000248651721 165181053 /nfs/dbraw/zinc/18/10/53/165181053.db2.gz SVQOXNMJATYNIM-UKRRQHHQSA-N 0 0 331.482 0.616 10 0 ECAERN Cn1cc([C@H]2CCN([C@H]3CC(=O)N(CC(F)(F)F)C3=O)C2)cn1 ZINC000248876142 165187853 /nfs/dbraw/zinc/18/78/53/165187853.db2.gz JNHUJKBNROAJKC-ONGXEEELSA-N 0 0 330.310 0.899 10 0 ECAERN C[C@@H]1C[N@@H+](CCC2CCN(CC(=O)NCC(=O)[O-])CC2)C[C@H](C)O1 ZINC000262259653 165318302 /nfs/dbraw/zinc/31/83/02/165318302.db2.gz RZICVRJLKGQAAU-OKILXGFUSA-N 0 0 341.452 0.399 10 0 ECAERN C[C@H]1OCCN[C@@H]1C(=O)N1CCC(c2nnc3ccccn32)CC1 ZINC000262289310 165323929 /nfs/dbraw/zinc/32/39/29/165323929.db2.gz ONUKZRTWROOSPE-DOMZBBRYSA-N 0 0 329.404 0.812 10 0 ECAERN CCc1noc([C@@H](C)N2CCN(C(=O)[C@H]3NCCO[C@@H]3C)CC2)n1 ZINC000262376863 165340951 /nfs/dbraw/zinc/34/09/51/165340951.db2.gz WRAWHAZGUMEUEX-BZPMIXESSA-N 0 0 337.424 0.214 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)c2ccc(S(C)(=O)=O)o2)C1 ZINC000262680313 165374218 /nfs/dbraw/zinc/37/42/18/165374218.db2.gz ALRRVEKBMDSPGX-UHFFFAOYSA-N 0 0 344.389 0.350 10 0 ECAERN CCNC(=O)[C@H]1CCCN(c2ccc(S(=O)(=O)NC)cn2)C1 ZINC000301287705 296884437 /nfs/dbraw/zinc/88/44/37/296884437.db2.gz ZTZXDKIWEQUYHP-NSHDSACASA-N 0 0 326.422 0.342 10 0 ECAERN CS(=O)(=O)NC1CCN(c2nccn3c2nnc3C2CC2)CC1 ZINC000302197158 296896810 /nfs/dbraw/zinc/89/68/10/296896810.db2.gz FKDIYFGUIIUGEY-UHFFFAOYSA-N 0 0 336.421 0.520 10 0 ECAERN COCCCS(=O)(=O)NCC(=O)N1CCC[C@H]1c1ccco1 ZINC000121445200 221845025 /nfs/dbraw/zinc/84/50/25/221845025.db2.gz IMZYINDRHZTMSL-LBPRGKRZSA-N 0 0 330.406 0.899 10 0 ECAERN C[C@@H](NC(=O)C(=O)Nc1ccc(Cn2cncn2)cc1)[C@@H]1CCCO1 ZINC000124527990 222443364 /nfs/dbraw/zinc/44/33/64/222443364.db2.gz DZBNSKJEIPGVGW-DOMZBBRYSA-N 0 0 343.387 0.949 10 0 ECAERN O=C(CCCNC(=O)c1cccnc1)N[C@H]1CCCn2ncnc21 ZINC000126287982 263146481 /nfs/dbraw/zinc/14/64/81/263146481.db2.gz NGOKTIZMVODAFH-ZDUSSCGKSA-N 0 0 328.376 0.834 10 0 ECAERN CNC(=O)[C@H]1CCCN1C(=O)Nc1ccc(C)c(-n2cnnn2)c1 ZINC000176343204 263152135 /nfs/dbraw/zinc/15/21/35/263152135.db2.gz QTOUKGZLJLHTFN-GFCCVEGCSA-N 0 0 329.364 0.713 10 0 ECAERN CCCC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2cnn(C)c2C)C1 ZINC000176611997 263152993 /nfs/dbraw/zinc/15/29/93/263152993.db2.gz MURGCQNRQDBRJU-GFCCVEGCSA-N 0 0 335.408 0.574 10 0 ECAERN C[C@H](NCc1nc(N(C)C)no1)c1ccc(S(N)(=O)=O)cc1 ZINC000192777454 263166187 /nfs/dbraw/zinc/16/61/87/263166187.db2.gz GRVIHJKTXAOHEH-VIFPVBQESA-N 0 0 325.394 0.634 10 0 ECAERN Cc1ccccc1CN(C)C(=O)CN1CC[C@](O)(c2cn[nH]n2)C1 ZINC000284875469 264249325 /nfs/dbraw/zinc/24/93/25/264249325.db2.gz RZSUJGWHEUQCCS-QGZVFWFLSA-N 0 0 329.404 0.665 10 0 ECAERN CC1=C(C(=O)N2CC[C@H](N3CCOCC3)C2)[C@H](C)n2ncnc2N1C ZINC000193225623 276174754 /nfs/dbraw/zinc/17/47/54/276174754.db2.gz GQANOFWECIFZBE-KBPBESRZSA-N 0 0 346.435 0.496 10 0 ECAERN COc1c(C)ccc(NC(=O)C(=O)N[C@H]2CCc3ncnn3C2)c1C ZINC000177630188 277781538 /nfs/dbraw/zinc/78/15/38/277781538.db2.gz GPSVUEAIYSQSOO-LBPRGKRZSA-N 0 0 343.387 0.973 10 0 ECAERN CC(=O)N1CCC[C@H](S(=O)(=O)Oc2ccccc2C(N)=O)C1 ZINC000069775354 278020453 /nfs/dbraw/zinc/02/04/53/278020453.db2.gz YKIRBVUWMDAKLZ-NSHDSACASA-N 0 0 326.374 0.505 10 0 ECAERN CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1CCCn2ncnc21 ZINC000151879593 278536274 /nfs/dbraw/zinc/53/62/74/278536274.db2.gz JKVFRVUDURRLNA-NXEZZACHSA-N 0 0 329.426 0.193 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)N2CCC[C@@H]2CC(=O)OC)C1 ZINC000263491485 279058673 /nfs/dbraw/zinc/05/86/73/279058673.db2.gz RHUFOXMHGNWORZ-OTTFEQOBSA-N 0 0 341.408 0.661 10 0 ECAERN Cc1nc(C(=O)N[C@H]2CCc3nnc(C(C)C)n3C2)c(=O)[nH]c1C ZINC000179149252 279070507 /nfs/dbraw/zinc/07/05/07/279070507.db2.gz NDLGCPDCMSBZLD-NSHDSACASA-N 0 0 330.392 0.846 10 0 ECAERN CCS(=O)(=O)c1ccc(C(=O)N2CC(NC(=O)C3CC3)C2)cc1 ZINC000189463970 437601050 /nfs/dbraw/zinc/60/10/50/437601050.db2.gz UYLHKNLKRNNUHA-UHFFFAOYSA-N 0 0 336.413 0.831 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)C(=O)Nc2ccc(C)c(F)c2)CC1 ZINC000189455804 437601510 /nfs/dbraw/zinc/60/15/10/437601510.db2.gz QCYMRMHIPYNFRS-AWEZNQCLSA-N 0 0 337.395 0.988 10 0 ECAERN O=C(NC1CN(C(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)C1)C1CC1 ZINC000189478861 437602539 /nfs/dbraw/zinc/60/25/39/437602539.db2.gz CSXSRCHPJTWUFG-LBPRGKRZSA-N 0 0 331.372 0.365 10 0 ECAERN CC(C)[C@@H](NC(=O)CN1CCOC[C@H]1C(N)=O)c1ccc(F)cc1 ZINC000246872279 279883959 /nfs/dbraw/zinc/88/39/59/279883959.db2.gz SSZCBIOILLPJLW-GOEBONIOSA-N 0 0 337.395 0.825 10 0 ECAERN CC1(C)S[C@@H]2[C@@H](NC(=O)C3([NH3+])CCCCC3)C(=O)N2[C@@H]1C(=O)[O-] ZINC000001569476 281434280 /nfs/dbraw/zinc/43/42/80/281434280.db2.gz HGBLNBBNRORJKI-IQJOONFLSA-N 0 0 341.433 0.280 10 0 ECAERN COCCn1ccc(C(=O)N2CCO[C@@H](Cn3nc(C)cc3C)C2)n1 ZINC000189779482 437611271 /nfs/dbraw/zinc/61/12/71/437611271.db2.gz KZTJXUFBAKXIOG-OAHLLOKOSA-N 0 0 347.419 0.884 10 0 ECAERN CN(CC(=O)Nc1ccnc2ccncc21)[C@@H]1CCS(=O)(=O)C1 ZINC000333028847 297102246 /nfs/dbraw/zinc/10/22/46/297102246.db2.gz LPPFQCSTOABMRP-LLVKDONJSA-N 0 0 334.401 0.109 10 0 ECAERN NS(=O)(=O)[C@H]1CCN(C(=O)NC2CCC3(CCOCC3)CC2)C1 ZINC000333214174 297118725 /nfs/dbraw/zinc/11/87/25/297118725.db2.gz QIYZBFLWXJBWOI-ZDUSSCGKSA-N 0 0 345.465 0.798 10 0 ECAERN CO[C@@H]1CN(S(=O)(=O)CCc2ccc3c(c2)CCO3)C[C@H]1OC ZINC000333238787 297120248 /nfs/dbraw/zinc/12/02/48/297120248.db2.gz VYDZKZINRVJXPD-HZPDHXFCSA-N 0 0 341.429 0.839 10 0 ECAERN C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)N1CCC[C@@H](n2ccnn2)C1 ZINC000333414065 297132144 /nfs/dbraw/zinc/13/21/44/297132144.db2.gz QIPCDHBOONMHFD-QJPTWQEYSA-N 0 0 327.410 0.058 10 0 ECAERN CN1CCN(C(=O)[C@H]2CCCN2C(=O)[C@H]2CCc3cccnc32)CC1 ZINC000333461077 297136385 /nfs/dbraw/zinc/13/63/85/297136385.db2.gz LQVXGCHAWYHDDD-JKSUJKDBSA-N 0 0 342.443 0.876 10 0 ECAERN CN1C(=O)NCC12CCN(S(=O)(=O)NCc1ccccc1)CC2 ZINC000333486981 297137567 /nfs/dbraw/zinc/13/75/67/297137567.db2.gz QHBDOPHVVXAXTM-UHFFFAOYSA-N 0 0 338.433 0.511 10 0 ECAERN CO[C@H]1C[C@H](C(=O)N2CCOC[C@H]2CC(C)C)N(S(C)(=O)=O)C1 ZINC000365758487 300480825 /nfs/dbraw/zinc/48/08/25/300480825.db2.gz NMPNKMIQDFRTRB-HZSPNIEDSA-N 0 0 348.465 0.309 10 0 ECAERN CO[C@H]1C[C@H](C(=O)N[C@H]2C[C@@](C)(OC)C2(C)C)N(S(C)(=O)=O)C1 ZINC000366054929 300510576 /nfs/dbraw/zinc/51/05/76/300510576.db2.gz PKKWVEOTCXRTBL-OZTPJHRESA-N 0 0 348.465 0.355 10 0 ECAERN COC(=O)c1ccc(NCC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000015290009 436078120 /nfs/dbraw/zinc/07/81/20/436078120.db2.gz KQFCWOPSPPMMBP-GFCCVEGCSA-N 0 0 326.374 0.188 10 0 ECAERN Cc1cc(C(=O)N2CCOC[C@@H]2C(N)=O)c2c(n1)onc2C(C)C ZINC000180215403 301103279 /nfs/dbraw/zinc/10/32/79/301103279.db2.gz AKWQMQHSLQWOHB-LLVKDONJSA-N 0 0 332.360 0.981 10 0 ECAERN CC(=O)N1CCOC[C@H]1C(=O)NCc1nccn1-c1ccccc1 ZINC000375782394 301208572 /nfs/dbraw/zinc/20/85/72/301208572.db2.gz JAIVAFBFJQVEOO-HNNXBMFYSA-N 0 0 328.372 0.736 10 0 ECAERN CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000377473300 301352660 /nfs/dbraw/zinc/35/26/60/301352660.db2.gz DCDMODVCKZQQLC-IHRRRGAJSA-N 0 0 346.449 0.902 10 0 ECAERN CCn1c2ccc(C(=O)NC[C@@H]3CCCC[C@@H]3O)cc2[nH]c(=O)c1=O ZINC000077158874 436227038 /nfs/dbraw/zinc/22/70/38/436227038.db2.gz IFVMHCMXYQGBCW-WFASDCNBSA-N 0 0 345.399 0.991 10 0 ECAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)NC[C@H](C)N1CCOCC1 ZINC000087035893 436395178 /nfs/dbraw/zinc/39/51/78/436395178.db2.gz LAHCOSCIAWFKBX-QWHCGFSZSA-N 0 0 336.440 0.695 10 0 ECAERN CC(C)(C)OC[C@@H](O)CN1CCN(CC(=O)N2CCCCC2)CC1 ZINC000052915269 436518954 /nfs/dbraw/zinc/51/89/54/436518954.db2.gz RDHFLUZPBDCYMK-INIZCTEOSA-N 0 0 341.496 0.793 10 0 ECAERN CC(C)(NS(C)(=O)=O)C(=O)N1CCc2c(ncn2C2CC2)C1 ZINC000095961528 436501920 /nfs/dbraw/zinc/50/19/20/436501920.db2.gz HKYDADRFCKJOIM-UHFFFAOYSA-N 0 0 326.422 0.431 10 0 ECAERN Cc1ccc(N2CCCN(CC(=O)NCC(F)(F)F)CC2)nn1 ZINC000105800718 436579044 /nfs/dbraw/zinc/57/90/44/436579044.db2.gz YFGHEYDJLXTFPW-UHFFFAOYSA-N 0 0 331.342 0.976 10 0 ECAERN CC(C)OC(=O)CCNC(=O)[C@@H](Cc1ccccc1)n1cnnn1 ZINC000054461854 436553181 /nfs/dbraw/zinc/55/31/81/436553181.db2.gz LXTYSELJPROXAS-CQSZACIVSA-N 0 0 331.376 0.915 10 0 ECAERN CCCNC(=O)c1cccc(CNC(=O)NC[C@H]2CN(C)CCO2)c1 ZINC000104788900 436562681 /nfs/dbraw/zinc/56/26/81/436562681.db2.gz IAKKPQHYSQDRFB-INIZCTEOSA-N 0 0 348.447 0.956 10 0 ECAERN CN1CCO[C@@H](CNC(=O)NCCN2CCc3sccc3C2)C1 ZINC000104791453 436562902 /nfs/dbraw/zinc/56/29/02/436562902.db2.gz KRAOELRFUZHZMY-AWEZNQCLSA-N 0 0 338.477 0.736 10 0 ECAERN CCCCNC(=O)[C@@H]1CCCN(C(=O)NC[C@H]2CN(C)CCO2)C1 ZINC000104798557 436563553 /nfs/dbraw/zinc/56/35/53/436563553.db2.gz HQYVGNAOPUNDSO-CABCVRRESA-N 0 0 340.468 0.655 10 0 ECAERN CN1CCO[C@@H](CNC(=O)N2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC000104797460 436564482 /nfs/dbraw/zinc/56/44/82/436564482.db2.gz XFAVRCRAMCFTIQ-ZDUSSCGKSA-N 0 0 326.441 0.217 10 0 ECAERN NC(=O)[C@H]1COCCN1C(=O)c1cc(O)cc(Br)c1 ZINC000528944939 301920467 /nfs/dbraw/zinc/92/04/67/301920467.db2.gz HWUTZJRJVIRADG-SNVBAGLBSA-N 0 0 329.150 0.481 10 0 ECAERN CCOC(=O)CN(CC(N)=O)C(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000109121426 436623940 /nfs/dbraw/zinc/62/39/40/436623940.db2.gz SDCNVAVNQYMFAP-GHMZBOCLSA-N 0 0 340.326 0.945 10 0 ECAERN COC(=O)CNC(=O)[C@@H](C)N1CCN(Cc2cnc(C)s2)CC1 ZINC000105814212 436580263 /nfs/dbraw/zinc/58/02/63/436580263.db2.gz XEAXPPJJZYURAQ-LLVKDONJSA-N 0 0 340.449 0.247 10 0 ECAERN CCN1CCN(CC(=O)N2CCC[C@@H](n3cc(C)cn3)C2)C(=O)C1=O ZINC000105859497 436581077 /nfs/dbraw/zinc/58/10/77/436581077.db2.gz RNICNSIBHXRMFO-CQSZACIVSA-N 0 0 347.419 0.046 10 0 ECAERN Cc1nn(C)c(C)c1CN1CCN(CC(=O)NC2CCOCC2)CC1 ZINC000105866023 436582932 /nfs/dbraw/zinc/58/29/32/436582932.db2.gz QLJYYDKXNCVWCB-UHFFFAOYSA-N 0 0 349.479 0.450 10 0 ECAERN Cn1cnnc1CN1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000105894446 436585200 /nfs/dbraw/zinc/58/52/00/436585200.db2.gz YZDLLSOHVFIMQX-OAHLLOKOSA-N 0 0 331.420 0.373 10 0 ECAERN CCn1cnnc1C1CCN([C@@H](C)C(=O)NC(=O)NC2CC2)CC1 ZINC000105929224 436588531 /nfs/dbraw/zinc/58/85/31/436588531.db2.gz FTUQAZCOHXDYPI-NSHDSACASA-N 0 0 334.424 0.854 10 0 ECAERN CC(C)N1CCO[C@@H](CN2CCN(CC(=O)c3cccn3C)CC2)C1 ZINC000106122553 436589953 /nfs/dbraw/zinc/58/99/53/436589953.db2.gz UPSKFECBDXASDI-KRWDZBQOSA-N 0 0 348.491 0.935 10 0 ECAERN Cc1ccc(N2CCCN(Cc3nc(N)nc(N(C)C)n3)CC2)nn1 ZINC000106072746 436590232 /nfs/dbraw/zinc/59/02/32/436590232.db2.gz WOOHSVJESISNJX-UHFFFAOYSA-N 0 0 343.439 0.331 10 0 ECAERN CC(C)(C)n1cc(CN2CCN(C(=O)[C@H]3CCC(=O)N3)CC2)cn1 ZINC000113921722 436638280 /nfs/dbraw/zinc/63/82/80/436638280.db2.gz VASSTBVJWHZPSP-CQSZACIVSA-N 0 0 333.436 0.561 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NS(=O)(=O)c1ncn(C)c1Cl)CC2 ZINC000114875022 436644574 /nfs/dbraw/zinc/64/45/74/436644574.db2.gz SVVQMTXVICTGHT-QMMMGPOBSA-N 0 0 344.828 0.521 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1nc3ccccc3c(=O)[nH]1)CC2 ZINC000114875411 436644861 /nfs/dbraw/zinc/64/48/61/436644861.db2.gz DMBCWKWBQCNRQR-JTQLQIEISA-N 0 0 338.371 0.822 10 0 ECAERN CN(C)C[C@@H]1CN(C(=O)CCS(=O)(=O)C2CCCC2)CCO1 ZINC000116793465 436652760 /nfs/dbraw/zinc/65/27/60/436652760.db2.gz ZIICBMOUPJUAAY-CYBMUJFWSA-N 0 0 332.466 0.523 10 0 ECAERN CNC(=O)c1cncc(/C=C/C(=O)N2CCN(CCOC)[C@@H](C)C2)c1 ZINC000117286703 436655193 /nfs/dbraw/zinc/65/51/93/436655193.db2.gz NAMANNRREZUDOB-NNTXTVRGSA-N 0 0 346.431 0.634 10 0 ECAERN Cc1nnc([C@H]2CN(C(=O)COc3c(C)nn(C)c3C)CCO2)[nH]1 ZINC000150996888 436693474 /nfs/dbraw/zinc/69/34/74/436693474.db2.gz WGGPGYSRINEKSA-GFCCVEGCSA-N 0 0 334.380 0.442 10 0 ECAERN COc1ccc(C(=O)N[C@H]2CCCC[C@@H]2CO)cc1-n1cnnn1 ZINC000120898254 436701893 /nfs/dbraw/zinc/70/18/93/436701893.db2.gz IXQVXKKHYILSFB-OLZOCXBDSA-N 0 0 331.376 0.952 10 0 ECAERN NC(=O)[C@@]1(O)CCCN(CC(=O)NCc2ccc(Cl)cc2)C1 ZINC000225482044 436710431 /nfs/dbraw/zinc/71/04/31/436710431.db2.gz VNRRCLAOIRADDZ-OAHLLOKOSA-N 0 0 325.796 0.268 10 0 ECAERN C[C@@H]1CCNC(=O)[C@@H]1NC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 ZINC000194242047 436660982 /nfs/dbraw/zinc/66/09/82/436660982.db2.gz XBOYBMUJYRNFCJ-YEHMFOAPSA-N 0 0 347.390 0.986 10 0 ECAERN CCn1c(N)c(C(=O)CN2CCCC[C@@H]2c2cn[nH]c2)c(=O)[nH]c1=O ZINC000121815109 436726616 /nfs/dbraw/zinc/72/66/16/436726616.db2.gz ICBLFJHLAMMOFK-LLVKDONJSA-N 0 0 346.391 0.272 10 0 ECAERN Cc1cnn(CCNC(=O)c2cc(S(N)(=O)=O)cc(C)c2C)c1 ZINC000152458587 436731659 /nfs/dbraw/zinc/73/16/59/436731659.db2.gz WXRFTGOPPQOOFD-UHFFFAOYSA-N 0 0 336.417 0.886 10 0 ECAERN CN(C)C(=O)CN(C)C(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(F)cc1 ZINC000124309086 436748025 /nfs/dbraw/zinc/74/80/25/436748025.db2.gz LJRQXICCMKGGPF-BBRMVZONSA-N 0 0 335.379 0.892 10 0 ECAERN Cn1nccc1C1CCN(C(=O)CN2CCCS2(=O)=O)CC1 ZINC000124511029 436751989 /nfs/dbraw/zinc/75/19/89/436751989.db2.gz YJAGLXURXZGZCE-UHFFFAOYSA-N 0 0 326.422 0.162 10 0 ECAERN Cc1nnc([C@@H]2CN(C(=O)c3cccc4c3oc(=O)n4C)CCO2)[nH]1 ZINC000124942641 436759660 /nfs/dbraw/zinc/75/96/60/436759660.db2.gz QMUJELXQMGBQSV-LBPRGKRZSA-N 0 0 343.343 0.772 10 0 ECAERN COc1c(CNC(=O)N2CCO[C@@H](Cn3cccn3)C2)c(C)nn1C ZINC000153704347 436762027 /nfs/dbraw/zinc/76/20/27/436762027.db2.gz JCOUQPARRKVOQS-CYBMUJFWSA-N 0 0 348.407 0.544 10 0 ECAERN C[C@@H](CNC(=O)N1CC[C@H](Oc2ccncc2)C1)N1CCOCC1 ZINC000153839672 436763911 /nfs/dbraw/zinc/76/39/11/436763911.db2.gz UFZSRMMYMFSDRZ-HOCLYGCPSA-N 0 0 334.420 0.965 10 0 ECAERN CCCCn1nccc1NC(=O)C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000153880706 436765334 /nfs/dbraw/zinc/76/53/34/436765334.db2.gz WGMFBVAGXXDAOY-AWEZNQCLSA-N 0 0 349.435 0.555 10 0 ECAERN CCO[C@H]1C[C@H](N(C)C(=O)Cn2ccc(=O)[nH]c2=O)C12CCCC2 ZINC000156222189 436811716 /nfs/dbraw/zinc/81/17/16/436811716.db2.gz WWRDVZUWGMLUFP-STQMWFEESA-N 0 0 335.404 0.733 10 0 ECAERN CC(C)Oc1ccccc1CC(=O)NC[C@@H](O)CN1CCOCC1 ZINC000128134242 436812813 /nfs/dbraw/zinc/81/28/13/436812813.db2.gz QQVNKPHLPHOBMP-MRXNPFEDSA-N 0 0 336.432 0.826 10 0 ECAERN CNC(=O)[C@H](NC(=O)[C@H]1CC(=O)N(C)[C@H]1c1cccnc1)C(C)C ZINC000246173471 436774312 /nfs/dbraw/zinc/77/43/12/436774312.db2.gz IAKKAMSFMFWYAJ-CFVMTHIKSA-N 0 0 332.404 0.488 10 0 ECAERN CCc1noc(C)c1NC(=O)C(=O)N1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000246447750 436778607 /nfs/dbraw/zinc/77/86/07/436778607.db2.gz IVSAZJVXWGGMBH-QWRGUYRKSA-N 0 0 338.408 0.397 10 0 ECAERN CC[C@H]1CN(C(=O)CCS(=O)(=O)CC(C)C)CCN1C[C@H](C)O ZINC000246824556 436786023 /nfs/dbraw/zinc/78/60/23/436786023.db2.gz LLLFZIMZEAPAHC-GJZGRUSLSA-N 0 0 348.509 0.751 10 0 ECAERN Cc1cc(C(=O)N2CCN(C[C@H](C)O)[C@H](C)C2)c2c(=O)[nH]n(C)c2n1 ZINC000246871237 436787662 /nfs/dbraw/zinc/78/76/62/436787662.db2.gz WDEPEXYGDDPKFD-NEPJUHHUSA-N 0 0 347.419 0.097 10 0 ECAERN C[C@H](NC(=O)c1ccco1)C(=O)N1CCC[C@H](Cn2cncn2)C1 ZINC000127192920 436797757 /nfs/dbraw/zinc/79/77/57/436797757.db2.gz BYZWKHQTRWGIRT-STQMWFEESA-N 0 0 331.376 0.928 10 0 ECAERN COc1ccc(CC(=O)N[C@@H]2CN(c3ccncn3)C[C@H]2CO)cc1 ZINC000253394374 436841384 /nfs/dbraw/zinc/84/13/84/436841384.db2.gz ACHLDCOOOWULQW-GOEBONIOSA-N 0 0 342.399 0.641 10 0 ECAERN Cc1noc(CCNC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)n1 ZINC000131615251 436855497 /nfs/dbraw/zinc/85/54/97/436855497.db2.gz MBJLJUUMVAMWGD-SECBINFHSA-N 0 0 328.328 0.721 10 0 ECAERN CNC(=O)[C@@H]1C[C@H](Oc2cccnc2)CN1C(=O)c1nccn1C ZINC000257176791 436857647 /nfs/dbraw/zinc/85/76/47/436857647.db2.gz APRQJVYOHPPILR-STQMWFEESA-N 0 0 329.360 0.223 10 0 ECAERN Cc1cc(C)n(CCC(=O)N[C@@H]2CN(c3ccncn3)C[C@H]2CO)n1 ZINC000257180872 436858044 /nfs/dbraw/zinc/85/80/44/436858044.db2.gz DYLAKOYXGNUWBC-LSDHHAIUSA-N 0 0 344.419 0.294 10 0 ECAERN C[C@@H](O)CN1CCN(C(=O)c2ccnc(-n3ccnc3)c2)C[C@H]1C ZINC000174325226 533695441 /nfs/dbraw/zinc/69/54/41/533695441.db2.gz RAROPGCFINPUNQ-ZIAGYGMSSA-N 0 0 329.404 0.794 10 0 ECAERN C[C@@H](C1CC1)n1nccc1NC(=O)NC[C@@H](O)CN1CCOCC1 ZINC000157256849 436826568 /nfs/dbraw/zinc/82/65/68/436826568.db2.gz JNWBIGIVPVSBAB-GXTWGEPZSA-N 0 0 337.424 0.669 10 0 ECAERN Nc1c(Cl)cc(C(=O)NC[C@@H](O)CN2CCOCC2)cc1Cl ZINC000135573259 436919451 /nfs/dbraw/zinc/91/94/51/436919451.db2.gz KDGQCJKKIHXTPZ-SNVBAGLBSA-N 0 0 348.230 0.999 10 0 ECAERN NC(=O)c1cc([C@@H]2CCCN(C(=O)[C@H]3CC(F)(F)CN3)C2)n[nH]1 ZINC000263310233 436962538 /nfs/dbraw/zinc/96/25/38/436962538.db2.gz YLIZBEZVLVZXOP-LDYMZIIASA-N 0 0 327.335 0.212 10 0 ECAERN O=C([C@@H]1CC(F)(F)CN1)N1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000263304222 436962582 /nfs/dbraw/zinc/96/25/82/436962582.db2.gz XNYJUSXCPLQOHD-MNOVXSKESA-N 0 0 325.363 0.928 10 0 ECAERN C[C@@H](O)CN1CCN(C(=O)c2cn(Cc3ccccc3)nn2)C[C@H]1C ZINC000174319164 533695552 /nfs/dbraw/zinc/69/55/52/533695552.db2.gz KGOJPKZOSVOVLW-HUUCEWRRSA-N 0 0 343.431 0.854 10 0 ECAERN CCCC(=O)N[C@H]1CCCN(C(=O)N[C@@H](C)CN2CCOCC2)C1 ZINC000171009178 436964411 /nfs/dbraw/zinc/96/44/11/436964411.db2.gz NEMDKZJNRTXQJL-GJZGRUSLSA-N 0 0 340.468 0.797 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)N[C@@H]2c3ccccc3C[C@H]2O)C1 ZINC000263462120 436967277 /nfs/dbraw/zinc/96/72/77/436967277.db2.gz IZAFSCHHSHRXBP-KWVKFQHESA-N 0 0 347.415 0.881 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)N2CCOC[C@@H]2C2CC2)C1 ZINC000263504171 436970034 /nfs/dbraw/zinc/97/00/34/436970034.db2.gz WMPQEBHOBYLZGC-JXQTWKCFSA-N 0 0 325.409 0.744 10 0 ECAERN COc1ccc([C@H]2OCC[C@@H]2NC(=O)C2=NN(C)C(=O)CC2)cn1 ZINC000275487255 436975031 /nfs/dbraw/zinc/97/50/31/436975031.db2.gz UYJWODWNKUQORX-XHDPSFHLSA-N 0 0 332.360 0.645 10 0 ECAERN CN(C)c1ncc(NC(=O)C(=O)N2CCC[C@H]2c2cnn(C)c2)cn1 ZINC000163922329 436928715 /nfs/dbraw/zinc/92/87/15/436928715.db2.gz ZNMOSJMSQYXCQQ-ZDUSSCGKSA-N 0 0 343.391 0.578 10 0 ECAERN CCN(CC)C(=O)CN1CCCN(C(=O)[C@@H]2CC(F)(F)CN2)CC1 ZINC000262957217 436946246 /nfs/dbraw/zinc/94/62/46/436946246.db2.gz KHJXKUISLIAZPB-ZDUSSCGKSA-N 0 0 346.422 0.386 10 0 ECAERN Cc1ccc2nc(CN3CCO[C@@H](C[N@@H+](C)CC(=O)[O-])C3)cn2c1 ZINC000262979585 436946799 /nfs/dbraw/zinc/94/67/99/436946799.db2.gz YNOBLXALGPVAJH-HNNXBMFYSA-N 0 0 332.404 0.860 10 0 ECAERN C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)[C@H]1CC(F)(F)CN1 ZINC000263174555 436954289 /nfs/dbraw/zinc/95/42/89/436954289.db2.gz GCNSCEWJBKLVRP-ZWNOBZJWSA-N 0 0 336.342 0.898 10 0 ECAERN C[N@@H+](CC(=O)[O-])C[C@H]1CN(C(=O)N[C@@H]2CCCC2(C)C)CCO1 ZINC000263239449 436957854 /nfs/dbraw/zinc/95/78/54/436957854.db2.gz NNOFFXZLCONXBW-QWHCGFSZSA-N 0 0 327.425 0.992 10 0 ECAERN O=C(OCC(F)(F)F)N1CCN(c2ccc3nncn3n2)CC1 ZINC000172476520 437016473 /nfs/dbraw/zinc/01/64/73/437016473.db2.gz RTLYLJYOARESNK-UHFFFAOYSA-N 0 0 330.270 0.945 10 0 ECAERN COc1cccc([C@H](O)CNC(=O)N[C@@H]2CCc3ncnn3C2)c1 ZINC000172603710 437022830 /nfs/dbraw/zinc/02/28/30/437022830.db2.gz VUOBALWDPMYDRM-TZMCWYRMSA-N 0 0 331.376 0.634 10 0 ECAERN O=C(Cc1ccccc1)NCC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000172748722 437027399 /nfs/dbraw/zinc/02/73/99/437027399.db2.gz WNAYWRBDEHEKME-MRXNPFEDSA-N 0 0 331.416 0.278 10 0 ECAERN C[C@@H](COCc1ccccc1)NC(=O)CN1CCCS1(=O)=O ZINC000172973680 437034197 /nfs/dbraw/zinc/03/41/97/437034197.db2.gz ITTVTWUZWSWRLO-ZDUSSCGKSA-N 0 0 326.418 0.743 10 0 ECAERN NC(=O)c1ccc(NC(=O)N2CCO[C@@H](Cn3cccn3)C2)cc1 ZINC000171816859 436989752 /nfs/dbraw/zinc/98/97/52/436989752.db2.gz XIOUZQYVQJEZCQ-CQSZACIVSA-N 0 0 329.360 0.915 10 0 ECAERN CN1CCO[C@@H](CNC(=O)NCC[S@@](=O)Cc2ccccc2)C1 ZINC000172067486 436996918 /nfs/dbraw/zinc/99/69/18/436996918.db2.gz NKTCZLDPALWUDS-NPMXOYFQSA-N 0 0 339.461 0.565 10 0 ECAERN CC(C)(C)n1cc(CN2CCN(C(=O)[C@@H]3COCCO3)CC2)cn1 ZINC000172111469 436998671 /nfs/dbraw/zinc/99/86/71/436998671.db2.gz RWHLVRCASCSTBS-HNNXBMFYSA-N 0 0 336.436 0.698 10 0 ECAERN COc1ccc(C(=O)N2CCN(C[C@H](O)c3ccccc3)CC2)nn1 ZINC000172349493 437011569 /nfs/dbraw/zinc/01/15/69/437011569.db2.gz JFGRFSFUJQXWDT-INIZCTEOSA-N 0 0 342.399 0.977 10 0 ECAERN Cc1cc(NC(=O)N2CCN(c3ccc4nncn4n3)CC2)no1 ZINC000172476459 437015216 /nfs/dbraw/zinc/01/52/16/437015216.db2.gz VSXLMDAZHZSEBI-UHFFFAOYSA-N 0 0 328.336 0.775 10 0 ECAERN O=C(c1coc(Br)c1)N1CC[C@@](O)(c2cn[nH]n2)C1 ZINC000284542553 437055211 /nfs/dbraw/zinc/05/52/11/437055211.db2.gz FZRDVUDVNTUHJI-NSHDSACASA-N 0 0 327.138 0.894 10 0 ECAERN CCCNC(=O)CCCC(=O)N1CCO[C@@H](c2nnc(CC)[nH]2)C1 ZINC000173609153 437058192 /nfs/dbraw/zinc/05/81/92/437058192.db2.gz DAHPKBVNUOCWOG-GFCCVEGCSA-N 0 0 337.424 0.964 10 0 ECAERN CCc1nnc([C@@H]2CN(C(=O)c3ccc4[nH]c(=O)[nH]c4c3)CCO2)[nH]1 ZINC000173609530 437058980 /nfs/dbraw/zinc/05/89/80/437058980.db2.gz AWVIGMVJXMUAPR-LBPRGKRZSA-N 0 0 342.359 0.750 10 0 ECAERN Cn1cc([C@@H]2CCCN2CCNS(=O)(=O)c2cnn(C)c2)cn1 ZINC000173655889 437059993 /nfs/dbraw/zinc/05/99/93/437059993.db2.gz XDPCWAIMYZIPNM-AWEZNQCLSA-N 0 0 338.437 0.269 10 0 ECAERN COc1ccc(CNC(=O)CN2CCO[C@H](c3nnc(C)[nH]3)C2)cc1 ZINC000173669813 437060466 /nfs/dbraw/zinc/06/04/66/437060466.db2.gz GMMOMVMZFKNELM-HNNXBMFYSA-N 0 0 345.403 0.811 10 0 ECAERN Cc1nnc([C@@H]2CN(CC(=O)NCc3ccccc3F)CCO2)[nH]1 ZINC000173676140 437060809 /nfs/dbraw/zinc/06/08/09/437060809.db2.gz JOFXPEMKCZRMAB-AWEZNQCLSA-N 0 0 333.367 0.942 10 0 ECAERN CCc1nnc([C@@H]2CN(S(=O)(=O)c3c(C)noc3C)CCO2)[nH]1 ZINC000173737512 437062592 /nfs/dbraw/zinc/06/25/92/437062592.db2.gz ZQCSAUGMAZHYBH-JTQLQIEISA-N 0 0 341.393 0.734 10 0 ECAERN CCc1nnc([C@H]2CN(S(=O)(=O)N3CCCCCC3)CCO2)[nH]1 ZINC000173738706 437062834 /nfs/dbraw/zinc/06/28/34/437062834.db2.gz VZAIVUWCKYUKPO-GFCCVEGCSA-N 0 0 343.453 0.861 10 0 ECAERN CN(C)c1ccc(NC(=O)C(=O)N2CC[C@@H](N3CCOCC3)C2)cc1 ZINC000174010463 437072796 /nfs/dbraw/zinc/07/27/96/437072796.db2.gz IWEWFLCPIACIMK-MRXNPFEDSA-N 0 0 346.431 0.624 10 0 ECAERN Cn1nc2c(cc1=O)CN(C(=O)N[C@H]1COc3ccccc31)CC2 ZINC000174440737 437080804 /nfs/dbraw/zinc/08/08/04/437080804.db2.gz BSTSTBKTVBSSQZ-AWEZNQCLSA-N 0 0 326.356 0.982 10 0 ECAERN CN(C)S(=O)(=O)N(C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000175213049 437098076 /nfs/dbraw/zinc/09/80/76/437098076.db2.gz DSBKVTWIFADJQI-LBPRGKRZSA-N 0 0 333.479 0.860 10 0 ECAERN COc1ncccc1CNC(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000175661469 437111538 /nfs/dbraw/zinc/11/15/38/437111538.db2.gz CZPMQGDJPWFVIG-UKRRQHHQSA-N 0 0 334.420 0.952 10 0 ECAERN Cc1nccn1C[C@@H]1CCCN1C(=O)NCCC(=O)N1CCOCC1 ZINC000175692019 437111843 /nfs/dbraw/zinc/11/18/43/437111843.db2.gz RAQOLFUQBWORRX-HNNXBMFYSA-N 0 0 349.435 0.614 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)CC1(CS(C)(=O)=O)CC1)CC2 ZINC000176842723 437159130 /nfs/dbraw/zinc/15/91/30/437159130.db2.gz OWGMDEZKMPUCJE-NSHDSACASA-N 0 0 340.449 0.486 10 0 ECAERN NC(=O)Cn1cc(C(=O)NC2(c3noc(C4CC4)n3)CCCC2)nn1 ZINC000175702630 437113696 /nfs/dbraw/zinc/11/36/96/437113696.db2.gz HPWVDVUSXXXJBH-UHFFFAOYSA-N 0 0 345.363 0.223 10 0 ECAERN C[C@H]1CN(C(=O)NCCCc2cnn(C)c2)C[C@H]1N1CCOCC1 ZINC000175748741 437114788 /nfs/dbraw/zinc/11/47/88/437114788.db2.gz SMJXYPMGTQFYEY-GOEBONIOSA-N 0 0 335.452 0.715 10 0 ECAERN Cn1cc([C@]2(C)CN(c3ncc(S(N)(=O)=O)s3)CCO2)cn1 ZINC000301689010 437127927 /nfs/dbraw/zinc/12/79/27/437127927.db2.gz XWLYGSHMANXUJC-LBPRGKRZSA-N 0 0 343.434 0.276 10 0 ECAERN CCc1cc(N[C@@H](C(=O)N2CCOCC2)C(C)C)n2ncnc2n1 ZINC000301719915 437130175 /nfs/dbraw/zinc/13/01/75/437130175.db2.gz PPOYGFXDXZHEHQ-CQSZACIVSA-N 0 0 332.408 0.982 10 0 ECAERN CCOc1cc(C)nc(N2CCN(C(=O)CCc3nnc[nH]3)CC2)n1 ZINC000177199961 437173367 /nfs/dbraw/zinc/17/33/67/437173367.db2.gz MTORJTWMVIAPAB-UHFFFAOYSA-N 0 0 345.407 0.583 10 0 ECAERN CCOc1cccc(NC(=O)C(=O)N[C@H]2CCc3ncnn3C2)c1 ZINC000177626562 437191371 /nfs/dbraw/zinc/19/13/71/437191371.db2.gz BNLOJNQGTCQJEH-LBPRGKRZSA-N 0 0 329.360 0.747 10 0 ECAERN Cc1cc(F)ccc1NC(=O)C(=O)N1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000177608400 437192541 /nfs/dbraw/zinc/19/25/41/437192541.db2.gz FDRJBDWYOLDTSI-QWHCGFSZSA-N 0 0 337.395 0.986 10 0 ECAERN Cc1noc([C@@]2(O)CCN(S(=O)(=O)C3Cc4ccccc4C3)C2)n1 ZINC000328612290 437239498 /nfs/dbraw/zinc/23/94/98/437239498.db2.gz OGXCXPUCEFTNBY-MRXNPFEDSA-N 0 0 349.412 0.769 10 0 ECAERN COC[C@@H](C)S(=O)(=O)N1CC[C@@](O)(c2nc(C3CC3)no2)C1 ZINC000328609176 437240421 /nfs/dbraw/zinc/24/04/21/437240421.db2.gz CKWWARXEMRLGTL-RNCFNFMXSA-N 0 0 331.394 0.205 10 0 ECAERN CCc1cc(C(=O)N2CC(N3CCn4c(CC)nnc4C3)C2)[nH]n1 ZINC000328637299 437244805 /nfs/dbraw/zinc/24/48/05/437244805.db2.gz ONZWVJCSHHXFJS-UHFFFAOYSA-N 0 0 329.408 0.466 10 0 ECAERN CCN(Cc1nnc(C)o1)[C@H]1CN(Cc2c(C)n[nH]c2C)C[C@H]1O ZINC000328648988 437247186 /nfs/dbraw/zinc/24/71/86/437247186.db2.gz UVNYMYJQXJEBIW-LSDHHAIUSA-N 0 0 334.424 0.785 10 0 ECAERN CNc1cc(N2CCC[C@@H]2CNC(=O)N[C@H](C)c2nc[nH]n2)ncn1 ZINC000183130647 437375704 /nfs/dbraw/zinc/37/57/04/437375704.db2.gz ZIPXFOZKIOAGMB-GHMZBOCLSA-N 0 0 345.411 0.666 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)N[C@@H]2CCN(c3ccccn3)C2)CC1 ZINC000182043782 437337062 /nfs/dbraw/zinc/33/70/62/437337062.db2.gz OJWMGSUASPMJQO-HZPDHXFCSA-N 0 0 347.463 0.758 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)N[C@H]2CCN(c3ccccn3)C2)CC1 ZINC000182043802 437338018 /nfs/dbraw/zinc/33/80/18/437338018.db2.gz OJWMGSUASPMJQO-HOTGVXAUSA-N 0 0 347.463 0.758 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)NC[C@@H]2CC(=O)N(C3CC3)C2)CC1 ZINC000182159466 437339947 /nfs/dbraw/zinc/33/99/47/437339947.db2.gz NNRCSJQWHBZJHH-DZGCQCFKSA-N 0 0 338.452 0.095 10 0 ECAERN C[C@H](c1nccs1)N1CCN(C[C@H](O)CN2CCCC2=O)CC1 ZINC000184620469 437408331 /nfs/dbraw/zinc/40/83/31/437408331.db2.gz RGMAPQXHLMQUFJ-KGLIPLIRSA-N 0 0 338.477 0.805 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)NCCNC(=O)c2ccccc2)CC1 ZINC000184794454 437414580 /nfs/dbraw/zinc/41/45/80/437414580.db2.gz VOLSBLCLXCHSLS-MRXNPFEDSA-N 0 0 348.447 0.515 10 0 ECAERN O=C(CN1C[C@H](O)C[C@@H]1CO)NCc1ccc(OC(F)F)cc1 ZINC000185174812 437429065 /nfs/dbraw/zinc/42/90/65/437429065.db2.gz HHGOLVBKKDLFNF-VXGBXAGGSA-N 0 0 330.331 0.332 10 0 ECAERN COC(=O)c1cn(C2CCN(Cc3nnnn3C(C)C)CC2)nn1 ZINC000183741663 437391148 /nfs/dbraw/zinc/39/11/48/437391148.db2.gz HVDVHBLCKOWEOF-UHFFFAOYSA-N 0 0 334.384 0.469 10 0 ECAERN Cn1c(CN2CCOC[C@H]2C(N)=O)nnc1-c1ccc(Cl)cc1 ZINC000186460118 437472827 /nfs/dbraw/zinc/47/28/27/437472827.db2.gz IBWAZFSVIWYIGY-LBPRGKRZSA-N 0 0 335.795 0.822 10 0 ECAERN COCC(=O)NC1CN(C(=O)Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC000185241828 437433338 /nfs/dbraw/zinc/43/33/38/437433338.db2.gz ZXTRJPGHYVYCSB-UHFFFAOYSA-N 0 0 347.346 0.997 10 0 ECAERN COCC(=O)NC1CN(C(=O)c2cn(-c3ccc(C)cc3)nn2)C1 ZINC000185287882 437434897 /nfs/dbraw/zinc/43/48/97/437434897.db2.gz XSSRGLWNGARLQL-UHFFFAOYSA-N 0 0 329.360 0.163 10 0 ECAERN CNS(=O)(=O)CCNC(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000187296632 437499752 /nfs/dbraw/zinc/49/97/52/437499752.db2.gz GKMYZIWMOJWRCK-IUCAKERBSA-N 0 0 331.360 0.956 10 0 ECAERN COCC(=O)NC1CN(S(=O)(=O)c2cccc3ccccc32)C1 ZINC000187715063 437511646 /nfs/dbraw/zinc/51/16/46/437511646.db2.gz ZDZKCYSRYXGCHP-UHFFFAOYSA-N 0 0 334.397 0.975 10 0 ECAERN Cc1c(NC(=O)C(=O)N2CC(NC(=O)C3CC3)C2)cccc1N(C)C ZINC000187989996 437521116 /nfs/dbraw/zinc/52/11/16/437521116.db2.gz LDVJTFCIPGFJBS-UHFFFAOYSA-N 0 0 344.415 0.737 10 0 ECAERN O=C(NC1CN(C(=O)[C@H]2Cc3ccccc3C(=O)O2)C1)C1CCC1 ZINC000188496714 437550762 /nfs/dbraw/zinc/55/07/62/437550762.db2.gz VQIUSWPJEFYZOL-OAHLLOKOSA-N 0 0 328.368 0.895 10 0 ECAERN O=C(NC1CN(C(=O)[C@@H]2CC[C@H](C(F)(F)F)NC2=O)C1)C1CCC1 ZINC000188480912 437551009 /nfs/dbraw/zinc/55/10/09/437551009.db2.gz PUDHBRZUPZQJPD-GHMZBOCLSA-N 0 0 347.337 0.571 10 0 ECAERN Cc1nc2n(n1)C[C@H](NC(=O)N1CC(NC(=O)C3CCC3)C1)CC2 ZINC000188837453 437572300 /nfs/dbraw/zinc/57/23/00/437572300.db2.gz DQVVOTOGFWEONN-GFCCVEGCSA-N 0 0 332.408 0.211 10 0 ECAERN CCN1CN(C(=O)[C@H]2CC(=O)N(C)[C@@H]2c2ccc(F)cc2)CC1=O ZINC000190588891 437631289 /nfs/dbraw/zinc/63/12/89/437631289.db2.gz YTVLFTDVGMUTHB-XJKSGUPXSA-N 0 0 333.363 0.993 10 0 ECAERN FC(F)(F)Cn1nnnc1CN1CCC[C@@H](Cn2cncn2)C1 ZINC000190893394 437642055 /nfs/dbraw/zinc/64/20/55/437642055.db2.gz JLKMSZMDVVUOLS-SNVBAGLBSA-N 0 0 330.318 0.739 10 0 ECAERN CC[C@@H](O)CN1CCN(CCS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000192604812 437682400 /nfs/dbraw/zinc/68/24/00/437682400.db2.gz ACSMTCWFRNAGQV-OAHLLOKOSA-N 0 0 344.452 0.988 10 0 ECAERN CC1=C(C(=O)N2CC(NC(=O)C3CC3)C2)[C@H](C)n2ncnc2N1C ZINC000192604066 437683405 /nfs/dbraw/zinc/68/34/05/437683405.db2.gz LMVOGCRXHOVQTP-JTQLQIEISA-N 0 0 330.392 0.300 10 0 ECAERN CCCCOC[C@H](O)CN1CCN(CC(=O)N2CCCC2)CC1 ZINC000193364130 437709801 /nfs/dbraw/zinc/70/98/01/437709801.db2.gz OFWAXPXGBFTQRV-MRXNPFEDSA-N 0 0 327.469 0.404 10 0 ECAERN CCN1C(=O)CC[C@H](C(=O)N2CCO[C@@H](C)C2)[C@@H]1c1cnn(C)c1 ZINC000357850006 438082039 /nfs/dbraw/zinc/08/20/39/438082039.db2.gz CCMQPGZQHNEPCK-NOLJZWGESA-N 0 0 334.420 0.967 10 0 ECAERN O=C(C1CCN(C(=O)N2CCCC2)CC1)N1C[C@@H](F)C[C@H]1CO ZINC000366694900 438115173 /nfs/dbraw/zinc/11/51/73/438115173.db2.gz XQRSQKMPGNXCFB-KBPBESRZSA-N 0 0 327.400 0.846 10 0 ECAERN Cn1ccnc1[C@H]1CN(c2ccnc(N3CCOCC3)n2)CCN1C ZINC000373684988 438164383 /nfs/dbraw/zinc/16/43/83/438164383.db2.gz WIZBZASMILWUOF-CQSZACIVSA-N 0 0 343.435 0.540 10 0 ECAERN C[C@@H]1C[C@@H]1C(=O)N1CCC[C@H](CS(=O)(=O)N2CCOCC2)C1 ZINC000521396685 439117323 /nfs/dbraw/zinc/11/73/23/439117323.db2.gz OLIDBQBLRBRHFN-RDBSUJKOSA-N 0 0 330.450 0.543 10 0 ECAERN Cn1cc(S(=O)(=O)N[C@H]2CC[C@H](C(F)(F)F)N(C)C2)cn1 ZINC000583616445 439487421 /nfs/dbraw/zinc/48/74/21/439487421.db2.gz UWBKHSGVUOJQDI-WCBMZHEXSA-N 0 0 326.344 0.724 10 0 ECAERN CO[C@@H]1C[C@@H](c2nnc(C)[nH]2)N(C(=O)Cn2cccc(C)c2=O)C1 ZINC000583619609 439488618 /nfs/dbraw/zinc/48/86/18/439488618.db2.gz HIVHIROOCXWPGN-OLZOCXBDSA-N 0 0 331.376 0.572 10 0 ECAERN CCCn1nnnc1CN(C)C[C@@H]1C[C@H](F)CN1c1nnc(C)o1 ZINC000583621397 439488735 /nfs/dbraw/zinc/48/87/35/439488735.db2.gz CELKYGPYGADRBN-RYUDHWBXSA-N 0 0 338.391 0.823 10 0 ECAERN Cc1ccc(CN(C(=O)CN2CC[C@](O)(c3cn[nH]n3)C2)C2CC2)o1 ZINC000583618377 439489601 /nfs/dbraw/zinc/48/96/01/439489601.db2.gz RJJLFJYODLNPGM-QGZVFWFLSA-N 0 0 345.403 0.791 10 0 ECAERN O=C(CN1CCC[C@@](O)(c2cn[nH]n2)C1)N1CCc2ccccc21 ZINC000583618053 439489855 /nfs/dbraw/zinc/48/98/55/439489855.db2.gz YHPMSDMRGOLITM-KRWDZBQOSA-N 0 0 327.388 0.677 10 0 ECAERN CN(C)c1ccc(-c2cccc(S(N)(=O)=O)c2-c2nn[nH]n2)cn1 ZINC000584596474 439603848 /nfs/dbraw/zinc/60/38/48/439603848.db2.gz GBPKMBGXDREVQZ-UHFFFAOYSA-N 0 0 345.388 0.642 10 0 ECAERN Nc1ccn(C[C@H]2CO[C@H](COC(=O)c3ccccc3)O2)c(=O)n1 ZINC000584662063 439607179 /nfs/dbraw/zinc/60/71/79/439607179.db2.gz SPAOUVOEZFZVRJ-JSGCOSHPSA-N 0 0 331.328 0.667 10 0 ECAERN CCOC(=O)c1ccc([C@H]2COCCCN2S(N)(=O)=O)cc1 ZINC000616648448 439820705 /nfs/dbraw/zinc/82/07/05/439820705.db2.gz NLQPSRMWESPRCX-CYBMUJFWSA-N 0 0 328.390 0.830 10 0 ECAERN NC(=O)c1cccc([C@H]2CN(S(N)(=O)=O)c3ccccc3N2)c1 ZINC000616692931 439820771 /nfs/dbraw/zinc/82/07/71/439820771.db2.gz XHMFOQIGCVMTQA-CYBMUJFWSA-N 0 0 332.385 0.962 10 0 ECAERN O=C(N[C@H]1C[C@@H](O)[C@@H]1n1cccn1)c1cc(N2CCOCC2)ccn1 ZINC000616767970 439821933 /nfs/dbraw/zinc/82/19/33/439821933.db2.gz VJUHUIGUVRYZQT-NUEKZKHPSA-N 0 0 343.387 0.219 10 0 ECAERN CCN1CCO[C@@H](CNC(=O)c2cnccn2)[C@@H]1c1cnn(C)c1 ZINC000618143126 440056787 /nfs/dbraw/zinc/05/67/87/440056787.db2.gz BPMTVAVJLHJIOZ-GJZGRUSLSA-N 0 0 330.392 0.402 10 0 ECAERN Cn1cc(O[C@@H]2CN(C(=O)c3c[nH]c4ncccc34)C[C@H]2O)cn1 ZINC000628258619 440443100 /nfs/dbraw/zinc/44/31/00/440443100.db2.gz LDCRMEXVZRRVGY-ZIAGYGMSSA-N 0 0 327.344 0.561 10 0 ECAERN CCO[C@@]1(C(=O)NCc2c(Br)cnn2C)CCOC1 ZINC000633979974 440592528 /nfs/dbraw/zinc/59/25/28/440592528.db2.gz JGWNMTAFJRRURX-LBPRGKRZSA-N 0 0 332.198 0.994 10 0 ECAERN CNS(=O)(=O)c1ccc(C)c(C(=O)N[C@H]2CCc3ncnn3C2)c1 ZINC000172002564 320516133 /nfs/dbraw/zinc/51/61/33/320516133.db2.gz YCNDIHQMXOEEMW-NSHDSACASA-N 0 0 349.416 0.239 10 0 ECAERN O=C1[C@@H](N2CCN(S(=O)(=O)c3ccccc3)CC2)CCN1C1CC1 ZINC000328685386 320727061 /nfs/dbraw/zinc/72/70/61/320727061.db2.gz XKGYIKGTZMDYEX-INIZCTEOSA-N 0 0 349.456 0.756 10 0 ECAERN C[C@H](C(=O)N(C)CC(=O)N1CCC[C@@H](n2cccn2)C1)n1cccn1 ZINC000328714747 320728991 /nfs/dbraw/zinc/72/89/91/320728991.db2.gz SNMPYUCBXSKDJX-HUUCEWRRSA-N 0 0 344.419 0.963 10 0 ECAERN C[C@H](CC(=O)N1CCO[C@H](Cn2cccn2)C1)N1CCCCC1=O ZINC000328776111 320732015 /nfs/dbraw/zinc/73/20/15/320732015.db2.gz SLQZVZBWBHKPGU-CABCVRRESA-N 0 0 334.420 0.902 10 0 ECAERN COCCC(=O)N1CCN(C(=O)C[C@@H]2CCCCC(=O)N2)CC1 ZINC000328816171 320734489 /nfs/dbraw/zinc/73/44/89/320734489.db2.gz NUXAQSUDUPGBMT-ZDUSSCGKSA-N 0 0 325.409 0.983 10 0 ECAERN Cc1[nH]c2ccnn2c(=O)c1CC(=O)N1CCC[C@@H](n2cccn2)C1 ZINC000329125966 320754849 /nfs/dbraw/zinc/75/48/49/320754849.db2.gz YIBIKXVULXAHAG-CYBMUJFWSA-N 0 0 340.387 0.934 10 0 ECAERN O=C(CCN1C(=O)CSc2ccccc21)N1C[C@H](O)C[C@H]1CO ZINC000329356881 320767933 /nfs/dbraw/zinc/76/79/33/320767933.db2.gz HEYWVMKYFJXTFZ-NWDGAFQWSA-N 0 0 336.413 0.470 10 0 ECAERN Cn1cc([C@H]2OCC[C@@H]2C(=O)N2CCN(Cc3ccon3)CC2)cn1 ZINC000329881704 320793361 /nfs/dbraw/zinc/79/33/61/320793361.db2.gz OWVSFYHLCQBZEN-JKSUJKDBSA-N 0 0 345.403 0.830 10 0 ECAERN Cc1c([C@H]2[C@H](C(=O)N3C[C@H]4CC[C@@H](C3)O4)CC(=O)N2C)cnn1C ZINC000329901129 320794458 /nfs/dbraw/zinc/79/44/58/320794458.db2.gz OIWRJOTVTVWYOA-OQMKEHIESA-N 0 0 332.404 0.638 10 0 ECAERN O=C1CCc2cc(S(=O)(=O)N3CC(O)(C4CC4)C3)c(F)cc2N1 ZINC000330175866 320809070 /nfs/dbraw/zinc/80/90/70/320809070.db2.gz ZZROSFZVOAFVRS-UHFFFAOYSA-N 0 0 340.376 0.856 10 0 ECAERN CN1CCO[C@@H]2CN(C(=O)c3ccc(NS(C)(=O)=O)cc3)C[C@@H]21 ZINC000352051225 321346904 /nfs/dbraw/zinc/34/69/04/321346904.db2.gz ANOJVIGMJZKLGQ-UONOGXRCSA-N 0 0 339.417 0.213 10 0 ECAERN CNC(=O)CC(=O)N1CCOC[C@@H]1c1ncnn1Cc1ccccc1 ZINC000375870894 321871233 /nfs/dbraw/zinc/87/12/33/321871233.db2.gz JSXCMFIMZAQPJY-CQSZACIVSA-N 0 0 343.387 0.362 10 0 ECAERN COc1cccc([C@H](C)CC(=O)NC[C@@H](O)CN2CCOCC2)c1 ZINC000132446261 533766645 /nfs/dbraw/zinc/76/66/45/533766645.db2.gz NNALUIJMWPVUAQ-GDBMZVCRSA-N 0 0 336.432 0.998 10 0 ECAERN Cc1nc(C[C@@H]2CCCN(C(=O)CNC(=O)c3ccccn3)C2)no1 ZINC000172539908 534406472 /nfs/dbraw/zinc/40/64/72/534406472.db2.gz JNNOHSSMWMOJFR-ZDUSSCGKSA-N 0 0 343.387 0.984 10 0 ECAERN O=C(Nc1ccnn1Cc1ccc(F)cc1)C(=O)N1CCC[C@H]1CO ZINC000192084696 534429222 /nfs/dbraw/zinc/42/92/22/534429222.db2.gz UTJMWEZVSIGYRR-AWEZNQCLSA-N 0 0 346.362 0.992 10 0 ECAERN O=C(NC[C@H](O)CN1CCOCC1)c1ccc(-c2ccco2)[nH]c1=O ZINC000132603109 534625363 /nfs/dbraw/zinc/62/53/63/534625363.db2.gz CSGJZVGWFQRUJL-LBPRGKRZSA-N 0 0 347.371 0.058 10 0 ECAERN Cc1cnn(C[C@@H]2CN(C(=O)[C@@H](C)CS(C)(=O)=O)CCO2)c1 ZINC000176818789 534747614 /nfs/dbraw/zinc/74/76/14/534747614.db2.gz GAUZZEZTFATSPG-STQMWFEESA-N 0 0 329.422 0.100 10 0 ECAERN Cn1ccc2cccc(NC(=O)NC[C@H](O)CN3CCOCC3)c21 ZINC000190057675 534775127 /nfs/dbraw/zinc/77/51/27/534775127.db2.gz ABKWWNFKMLVAAR-AWEZNQCLSA-N 0 0 332.404 0.993 10 0 ECAERN CC(C)[C@H](O)CC(=O)N1CCN(CC(=O)NCc2ccccc2)CC1 ZINC000154733905 527719240 /nfs/dbraw/zinc/71/92/40/527719240.db2.gz GSXZHVHFDSUAPF-QGZVFWFLSA-N 0 0 347.459 0.854 10 0 ECAERN CC(C)[C@H](O)CC(=O)Nc1ncn(CC(=O)NCc2ccccc2)n1 ZINC000158628349 527721235 /nfs/dbraw/zinc/72/12/35/527721235.db2.gz DCOUTVSIKCWAGM-CQSZACIVSA-N 0 0 345.403 0.940 10 0 ECAERN CCNC(=O)C(C)(C)CNC(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000131149959 528013060 /nfs/dbraw/zinc/01/30/60/528013060.db2.gz LPKZFXPRJPUFCA-CYBMUJFWSA-N 0 0 337.424 0.456 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)CNC(=O)c2ccc(F)cc2)CC1 ZINC000171655484 529226439 /nfs/dbraw/zinc/22/64/39/529226439.db2.gz RAQUTUOQOKJXNZ-OAHLLOKOSA-N 0 0 337.395 0.471 10 0 ECAERN CC1=C[C@@]23C(=O)[C@@H](C=C(CO)[C@H](O)[C@]2(O)[C@@H]1O)[C@@H]1[C@H](C[C@@H]3C)C1(C)C ZINC000253590331 535246063 /nfs/dbraw/zinc/24/60/63/535246063.db2.gz VEBVPUXQAPLADL-QGYFJQFNSA-N 0 0 348.439 0.815 10 0 ECAERN CN(C)[C@@H](C(=O)N1CCO[C@@H](C[N@H+](C)CC(=O)[O-])C1)c1ccccc1 ZINC000262794984 536120793 /nfs/dbraw/zinc/12/07/93/536120793.db2.gz DORPGPOAGNZUJK-DOTOQJQBSA-N 0 0 349.431 0.533 10 0 ECAERN CC(=O)Nc1ccc(S(=O)(=O)N(C)C[C@@H]2CN(C)CCO2)cc1 ZINC000074775059 545685893 /nfs/dbraw/zinc/68/58/93/545685893.db2.gz RBYZLYWUNKWIAF-AWEZNQCLSA-N 0 0 341.433 0.596 10 0 ECAERN CN1CCO[C@@H](CNC(=O)N[C@@H]2CCN(C(=O)C3CCCC3)C2)C1 ZINC000135224353 545801301 /nfs/dbraw/zinc/80/13/01/545801301.db2.gz SRDIZVFXUHYDGS-CABCVRRESA-N 0 0 338.452 0.407 10 0 ECAERN Cc1nnc([C@H]2CN(C(=O)[C@@H]3[NH2+]CCc4ccccc43)CCO2)[nH]1 ZINC000178847349 545879962 /nfs/dbraw/zinc/87/99/62/545879962.db2.gz IUDNOAJJIKVLNU-HUUCEWRRSA-N 0 0 327.388 0.900 10 0 ECAERN CS(=O)(=O)C[C@@H](NC[C@H](O)CN1CCCC1=O)c1ccccc1 ZINC000181783580 545888168 /nfs/dbraw/zinc/88/81/68/545888168.db2.gz BECHXHAVYNWJIN-LSDHHAIUSA-N 0 0 340.445 0.345 10 0 ECAERN CC(=O)NC1CN(C(=O)C(=O)Nc2ccc(-n3cccn3)cc2C)C1 ZINC000188098555 545902218 /nfs/dbraw/zinc/90/22/18/545902218.db2.gz YTPYYVYUGISROZ-UHFFFAOYSA-N 0 0 341.371 0.466 10 0 ECAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N(CCc1ccccc1)[C@H]1CCOC1 ZINC000193477682 545911424 /nfs/dbraw/zinc/91/14/24/545911424.db2.gz BEKJGQJCTPDSCX-RCCFBDPRSA-N 0 0 346.427 0.828 10 0 ECAERN NC(=O)[C@]1(O)CCCN(c2nccc(N3Cc4ccccc4C3)n2)C1 ZINC000624206714 546890016 /nfs/dbraw/zinc/89/00/16/546890016.db2.gz CURCSYAJFSKJMW-SFHVURJKSA-N 0 0 339.399 0.813 10 0 ECAERN O=S(=O)(c1ccccc1F)N1CC[C@](O)(Cn2ccnn2)C1 ZINC000671430832 548146718 /nfs/dbraw/zinc/14/67/18/548146718.db2.gz VNWKLSQYNSQHGW-ZDUSSCGKSA-N 0 0 326.353 0.243 10 0 ECAERN O=S(=O)(NCc1nccc(N2CCOCC2)n1)c1ccccc1 ZINC000224173205 564087779 /nfs/dbraw/zinc/08/77/79/564087779.db2.gz QKHAGNQBRVUWNB-UHFFFAOYSA-N 0 0 334.401 0.792 10 0 ECAERN CO[C@H]1CCCCN(CC(=O)N2CCc3cc[nH]c(=O)c3C2)C1=O ZINC000888076252 586245475 /nfs/dbraw/zinc/24/54/75/586245475.db2.gz OXFVWGKOBAOFQV-AWEZNQCLSA-N 0 0 333.388 0.699 10 0 ECAERN Cc1cc(C(=O)N[C@H]2C[C@@H](O)[C@@H]2n2cccn2)ccc1-n1cncn1 ZINC000888079449 586246815 /nfs/dbraw/zinc/24/68/15/586246815.db2.gz KNDZZTHREYKSMN-NUEKZKHPSA-N 0 0 338.371 0.877 10 0 ECAERN Cn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2ccc3c(c2)N(C)CC3)cn1 ZINC000888093623 586348543 /nfs/dbraw/zinc/34/85/43/586348543.db2.gz LJABZJGLTUBDPM-DOTOQJQBSA-N 0 0 342.399 0.989 10 0 ECAERN Cc1ccc2c(c1)OCCN2C(=O)c1cn([C@@H]2COC[C@H]2O)nn1 ZINC000888093854 586348557 /nfs/dbraw/zinc/34/85/57/586348557.db2.gz ZNXRQJYYVJJXLB-ZIAGYGMSSA-N 0 0 330.344 0.558 10 0 ECAERN CNC(=O)[C@H]1CC(=O)N(C2CN(C(=O)CC3(C(F)(F)F)CC3)C2)C1 ZINC000888098589 586349857 /nfs/dbraw/zinc/34/98/57/586349857.db2.gz POWKUARJBAJKIU-VIFPVBQESA-N 0 0 347.337 0.524 10 0 ECAERN O=C(c1cn([C@@H]2COC[C@H]2O)nn1)N1CCOC(C2CC2)(C2CC2)C1 ZINC000888100775 586350483 /nfs/dbraw/zinc/35/04/83/586350483.db2.gz RDVNAZURWIKKJE-HUUCEWRRSA-N 0 0 348.403 0.242 10 0 ECAERN CCn1ccnc(NC[C@@H]2OCCN(CC)[C@H]2c2ccnn2C)c1=O ZINC000888102776 586350720 /nfs/dbraw/zinc/35/07/20/586350720.db2.gz LOSQXBQDPVSFCK-GJZGRUSLSA-N 0 0 346.435 0.871 10 0 ECAERN Cn1cncc1[C@H]1[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CCC(=O)N1C1CC1 ZINC000897909834 586381812 /nfs/dbraw/zinc/38/18/12/586381812.db2.gz ZMKFHPNCPUBHAS-JKIFEVAISA-N 0 0 345.447 0.825 10 0 ECAERN CNc1cc(N2CCC[C@@H]2CNC(=O)c2cnc(C)n2C)ncn1 ZINC000900881911 586672539 /nfs/dbraw/zinc/67/25/39/586672539.db2.gz VIRQPHZCXUJPKL-GFCCVEGCSA-N 0 0 329.408 0.959 10 0 ECAERN COc1ccc(CN(C)C(=O)C[C@@H]2CS(=O)(=O)CCN2)cc1C ZINC000818110369 587403752 /nfs/dbraw/zinc/40/37/52/587403752.db2.gz XQUMQDGZNJCBKV-CQSZACIVSA-N 0 0 340.445 0.739 10 0 ECAERN Cc1cnn(CCNC(=O)c2cc(S(N)(=O)=O)ccc2Cl)c1 ZINC000117987128 589823584 /nfs/dbraw/zinc/82/35/84/589823584.db2.gz QSPQGPXYCKPZBR-UHFFFAOYSA-N 0 0 342.808 0.922 10 0 ECAERN CCO[C@H]1C[C@H](OC(=O)Cn2ccc(=O)n(C)c2=O)C12CCCC2 ZINC000119587726 590030219 /nfs/dbraw/zinc/03/02/19/590030219.db2.gz FFBOZMKSWXUVJF-STQMWFEESA-N 0 0 336.388 0.828 10 0 ECAERN COc1nccc(CN2CC(N3C[C@H](c4nc(C)no4)CC3=O)C2)n1 ZINC000864310839 590068315 /nfs/dbraw/zinc/06/83/15/590068315.db2.gz UUJBLLWTTKOKJF-LLVKDONJSA-N 0 0 344.375 0.377 10 0 ECAERN Cc1noc([C@H]2CC(=O)N(C3CN(C(=O)C4(O)CCCCC4)C3)C2)n1 ZINC000864680269 590093488 /nfs/dbraw/zinc/09/34/88/590093488.db2.gz KJXMSJAWAOHQQV-LBPRGKRZSA-N 0 0 348.403 0.600 10 0 ECAERN C[C@@H]1CN(Cn2nc(-c3ccc(F)cc3)ccc2=O)C[C@H](C(N)=O)O1 ZINC000120238055 590103234 /nfs/dbraw/zinc/10/32/34/590103234.db2.gz VZEPYZWYLGEPKG-IAQYHMDHSA-N 0 0 346.362 0.582 10 0 ECAERN CC(C)c1nc2c(n1C)CCN(Cn1nc3cnccn3c1=O)C2 ZINC000133061378 590676854 /nfs/dbraw/zinc/67/68/54/590676854.db2.gz PMIPEFZSOQAUDC-UHFFFAOYSA-N 0 0 327.392 0.764 10 0 ECAERN CCCn1[nH]ccc1=NC(=O)CN1CCC[C@@H]1[C@H]1COCC[C@@H]1O ZINC000886026724 590786708 /nfs/dbraw/zinc/78/67/08/590786708.db2.gz QYGMWYPZUDDDCS-KFWWJZLASA-N 0 0 336.436 0.515 10 0 ECAERN COCCS(=O)(=O)N[C@@H]1CC[C@H](C(F)(F)F)N(C(C)=O)C1 ZINC000886039132 590788102 /nfs/dbraw/zinc/78/81/02/590788102.db2.gz KFTUSRQXXYSOBV-NXEZZACHSA-N 0 0 332.344 0.494 10 0 ECAERN Cc1nc2ccc(N3CCC[C@](O)(Cc4nncn4C)C3)nn2n1 ZINC000886065833 590789899 /nfs/dbraw/zinc/78/98/99/590789899.db2.gz ZUXWCLYLAXVRQP-HNNXBMFYSA-N 0 0 328.380 0.135 10 0 ECAERN CCN1CCO[C@@H](CNC(=O)Cc2cc(C)on2)[C@@H]1c1ccnn1C ZINC000886066128 590790028 /nfs/dbraw/zinc/79/00/28/590790028.db2.gz HERDACBJYFZWNQ-RDJZCZTQSA-N 0 0 347.419 0.837 10 0 ECAERN Cn1nccc1[C@H]1[C@H](CNc2ncnc3nc[nH]c32)OCCN1C ZINC000886081881 590792852 /nfs/dbraw/zinc/79/28/52/590792852.db2.gz ATMMSHLHHPTTNA-AAEUAGOBSA-N 0 0 328.380 0.522 10 0 ECAERN Cn1cnnc1C[C@]1(O)CCCN(C(=O)c2cnn(C(C)(C)C)c2)C1 ZINC000886095001 590794336 /nfs/dbraw/zinc/79/43/36/590794336.db2.gz JXPYOOLAFNUURL-QGZVFWFLSA-N 0 0 346.435 0.976 10 0 ECAERN Cn1ccnc1[C@H]1[C@H](NC(=O)c2cn[nH]c2)CCC(=O)N1C1CC1 ZINC000886094649 590794798 /nfs/dbraw/zinc/79/47/98/590794798.db2.gz BKSDZVQJHJCEER-TZMCWYRMSA-N 0 0 328.376 0.768 10 0 ECAERN O=C(NC[C@H](O)CN1CCOCC1)c1ccc2ccc(O)cc2c1O ZINC000828589442 591168952 /nfs/dbraw/zinc/16/89/52/591168952.db2.gz FEZVQMNVXRBYFA-AWEZNQCLSA-N 0 0 346.383 0.674 10 0 ECAERN C[C@@H](NC(=O)N1CCO[C@@H](Cn2cccn2)C1)c1nnnn1C1CC1 ZINC000188763327 611378087 /nfs/dbraw/zinc/37/80/87/611378087.db2.gz BJHIIFVVIFGWJY-DGCLKSJQSA-N 0 0 346.395 0.376 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)N[C@H](C)c1nnnn1C1CC1)CC2 ZINC000188986791 611457146 /nfs/dbraw/zinc/45/71/46/611457146.db2.gz BCZRZDJUCWTWFJ-NXEZZACHSA-N 0 0 345.411 0.537 10 0 ECAERN O=C(c1ccn(CC(F)F)n1)N1CCO[C@H](Cn2cccn2)C1 ZINC000194094795 608606033 /nfs/dbraw/zinc/60/60/33/608606033.db2.gz OBFUGNSMHZRCOL-NSHDSACASA-N 0 0 325.319 0.886 10 0 ECAERN Cc1nccn1C[C@@H]1CCCN1CN1C(=O)C(=O)N(C(C)C)C1=O ZINC000176081304 608771896 /nfs/dbraw/zinc/77/18/96/608771896.db2.gz TZFZGPKULVCOFV-ZDUSSCGKSA-N 0 0 333.392 0.813 10 0 ECAERN Cc1nnc([C@H]2CN(C(=O)Cc3[nH]nc4c3CCCC4)CCO2)[nH]1 ZINC000188399998 611677438 /nfs/dbraw/zinc/67/74/38/611677438.db2.gz SGXVEOHUASUMKX-CQSZACIVSA-N 0 0 330.392 0.858 10 0 ECAERN CC(=O)N1CCN(C(=O)[C@H]2CN(C(C)=O)Cc3cccnc32)CC1 ZINC000222657580 609103884 /nfs/dbraw/zinc/10/38/84/609103884.db2.gz GNWPODRRWLWXQF-HNNXBMFYSA-N 0 0 330.388 0.218 10 0 ECAERN C[C@@H](O)CNC(=O)[C@H]1CN(C(=O)c2ccco2)Cc2cccnc21 ZINC000222678509 609105213 /nfs/dbraw/zinc/10/52/13/609105213.db2.gz FLWVJBHTLDCMCT-YPMHNXCESA-N 0 0 329.356 0.911 10 0 ECAERN O=C(Cc1cc(F)cc2c1OCOC2)N[C@@H]1C[C@@H](O)[C@H]1n1cccn1 ZINC000909158978 609679093 /nfs/dbraw/zinc/67/90/93/609679093.db2.gz AWWXIXGDITZVAX-FMKPAKJESA-N 0 0 347.346 0.922 10 0 ECAERN CN(C)C(=O)c1cccc(C(=O)N[C@@H]2C[C@H](O)[C@@H]2n2cccn2)c1 ZINC000909171139 609684076 /nfs/dbraw/zinc/68/40/76/609684076.db2.gz XWWHQXCBGMZUBK-QLFBSQMISA-N 0 0 328.372 0.689 10 0 ECAERN O=C(NCC1(CO)CC1)[C@H]1CCC(=O)N1Cc1ccc2c(c1)OCO2 ZINC000223229363 609708965 /nfs/dbraw/zinc/70/89/65/609708965.db2.gz OQSBPCKDJQFLDM-CYBMUJFWSA-N 0 0 346.383 0.795 10 0 ECAERN CC(C)[C@H]1Nc2ncnc(N(C)[C@@H]3CCS(=O)(=O)C3)c2NC1=O ZINC000223987073 609716423 /nfs/dbraw/zinc/71/64/23/609716423.db2.gz WPCYAUNFEMIQBS-NXEZZACHSA-N 0 0 339.421 0.489 10 0 ECAERN CC(=O)N1CCC[C@H]1c1nc(C2CN(S(=O)(=O)C(C)C)C2)no1 ZINC000169792910 609747651 /nfs/dbraw/zinc/74/76/51/609747651.db2.gz NUBOKIZTGIABNW-LBPRGKRZSA-N 0 0 342.421 0.890 10 0 ECAERN O=C1NC(C2CC2)(C2CC2)C(=O)N1CN1CC[C@H](N2CCOCC2)C1 ZINC000172959946 609777267 /nfs/dbraw/zinc/77/72/67/609777267.db2.gz JEKFXUTVEVJCRM-HNNXBMFYSA-N 0 0 348.447 0.461 10 0 ECAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NC1CC(OC)(OC)C1 ZINC000911046894 609798516 /nfs/dbraw/zinc/79/85/16/609798516.db2.gz KHHRPUNJFWONQJ-GFCCVEGCSA-N 0 0 334.438 0.458 10 0 ECAERN S=C1SCCN1CN1CCN(c2ccc3nncn3n2)CC1 ZINC000152600113 609868155 /nfs/dbraw/zinc/86/81/55/609868155.db2.gz UGCWKNHZKLBANW-UHFFFAOYSA-N 0 0 335.462 0.538 10 0 ECAERN O=C1C[C@@H](c2ccccn2)CN1CN1CCO[C@H](Cn2cccn2)C1 ZINC000152835034 609882969 /nfs/dbraw/zinc/88/29/69/609882969.db2.gz JGRZSCVPNDSROB-CVEARBPZSA-N 0 0 341.415 0.953 10 0 ECAERN O=c1c2ccccc2nnn1CN1CCO[C@@H](Cn2cccn2)C1 ZINC000152837252 609882991 /nfs/dbraw/zinc/88/29/91/609882991.db2.gz KGAJZDDLQGXJPJ-CYBMUJFWSA-N 0 0 326.360 0.347 10 0 ECAERN CC1=C(C(=O)N2CC[C@H](n3ccnn3)C2)[C@@H](C)n2ncnc2N1C ZINC000911830309 609914296 /nfs/dbraw/zinc/91/42/96/609914296.db2.gz KKFWRNQQKPHQSZ-NEPJUHHUSA-N 0 0 328.380 0.628 10 0 ECAERN CCOc1ccccc1N1C[C@@H](C(=O)N2CCOC[C@@H]2CO)CC1=O ZINC000912427424 609958269 /nfs/dbraw/zinc/95/82/69/609958269.db2.gz KQOYLZQSQIRBFE-KBPBESRZSA-N 0 0 348.399 0.658 10 0 ECAERN NS(=O)(=O)N1CCC[C@@H](C(=O)N2CCC[C@@H]2C(F)(F)F)C1 ZINC000913018754 610030877 /nfs/dbraw/zinc/03/08/77/610030877.db2.gz ORMNFBGVIRZZDK-RKDXNWHRSA-N 0 0 329.344 0.455 10 0 ECAERN CN1C(=O)CN(CN2CCN(Cc3cnn(C(C)(C)C)c3)CC2)C1=O ZINC000182280495 610284380 /nfs/dbraw/zinc/28/43/80/610284380.db2.gz JMWZPKDZDXCSLW-UHFFFAOYSA-N 0 0 348.451 0.607 10 0 ECAERN CCc1ccc(C(=O)N[C@H]2CC(=O)N(CCN3CCOCC3)C2)o1 ZINC000071911466 610504405 /nfs/dbraw/zinc/50/44/05/610504405.db2.gz IWERGENZPIGXES-ZDUSSCGKSA-N 0 0 335.404 0.505 10 0 ECAERN COc1cccc(C[C@H]2CN(Cc3cc(=O)[nH]c(=O)[nH]3)CCO2)c1 ZINC000071765461 610704334 /nfs/dbraw/zinc/70/43/34/610704334.db2.gz JJFGJYXNRYSGMC-HNNXBMFYSA-N 0 0 331.372 0.928 10 0 ECAERN CCn1c(N)nc2cc(C(=O)NCc3nnc4n3CCCC4)cnc21 ZINC000077379821 612055949 /nfs/dbraw/zinc/05/59/49/612055949.db2.gz CPFVVOHVNUWZPF-UHFFFAOYSA-N 0 0 340.391 0.891 10 0 ECAERN O=C(Nc1ccc(N2CCNC(=O)C2)c(Cl)c1)[C@@H]1CNC(=O)C1 ZINC000194801393 612270086 /nfs/dbraw/zinc/27/00/86/612270086.db2.gz LRMWYWUQPHQSQZ-VIFPVBQESA-N 0 0 336.779 0.351 10 0 ECAERN C[C@H]1CN(C(=O)C(=O)Nc2ccc(-n3ccnc3)nc2)C[C@H](C)O1 ZINC000193696031 612443209 /nfs/dbraw/zinc/44/32/09/612443209.db2.gz FJRCWAWZEWNATK-RYUDHWBXSA-N 0 0 329.360 0.842 10 0 ECAERN O=S1(=O)CCNC[C@@H]1CCNc1ccncc1Br ZINC000721714468 741541890 /nfs/dbraw/zinc/54/18/90/741541890.db2.gz DTQNOHAFWYPUPJ-VIFPVBQESA-N 0 0 334.239 0.455 10 0 ECAERN Cc1n[nH]cc1CCCNC(=O)CS[C@@H]1CCS(=O)(=O)C1 ZINC000050183347 214049704 /nfs/dbraw/zinc/04/97/04/214049704.db2.gz QILGOPWNJJXWFN-GFCCVEGCSA-N 0 0 331.463 0.687 10 0 ECAERN CN(Cc1ccc2nonc2c1)C(=O)C1CCN(CC(N)=O)CC1 ZINC000097819635 219059098 /nfs/dbraw/zinc/05/90/98/219059098.db2.gz VMGATNZHIZDBJR-UHFFFAOYSA-N 0 0 331.376 0.379 10 0 ECAERN Cc1cc(N2CCC[C@@H](NC(=O)c3ccc(=O)[nH]c3)C2=O)n(C)n1 ZINC000174994189 231362399 /nfs/dbraw/zinc/36/23/99/231362399.db2.gz FXZVFNMMNJGBOQ-GFCCVEGCSA-N 0 0 329.360 0.755 10 0 ECAERN CCc1nnc([C@H]2CN(C(=O)CNC(=O)c3cccs3)CCO2)[nH]1 ZINC000173612578 529700936 /nfs/dbraw/zinc/70/09/36/529700936.db2.gz JWEMKNMJBWBHNP-SNVBAGLBSA-N 0 0 349.416 0.759 10 0 ECAERN CNC(=O)c1ccc(N[C@@H]2CCCN(c3cc(C)nn3C)C2=O)nn1 ZINC000173917035 529942896 /nfs/dbraw/zinc/94/28/96/529942896.db2.gz RMCPPYMMAGQUFS-GFCCVEGCSA-N 0 0 343.391 0.486 10 0 ECAERN CN(C[C@H](c1cccs1)N1CCOCC1)C(=O)[C@@H]1CCC(=O)N1 ZINC000177965204 529962214 /nfs/dbraw/zinc/96/22/14/529962214.db2.gz DKHZBGNQFFFKSH-QWHCGFSZSA-N 0 0 337.445 0.858 10 0 ECAERN C[C@H](NC(=O)N1CCS(=O)(=O)C[C@@H]1c1cnn(C)c1)C1CC1 ZINC000189413053 299114573 /nfs/dbraw/zinc/11/45/73/299114573.db2.gz BHSUYDOIONMEKD-GXFFZTMASA-N 0 0 326.422 0.700 10 0 ECAERN CC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)[C@@H]([NH3+])C3=CCC=CC3)[C@H]2SC1 ZINC000003978030 210095213 /nfs/dbraw/zinc/09/52/13/210095213.db2.gz RDLPVSKMFDYCOR-FIXISWKDSA-N 0 0 349.412 0.349 10 0 ECAERN CCc1ccc(CCC(=O)N[C@@H]2C[C@H]3C(=O)N(C)CC(=O)N3C2)cc1 ZINC000067727350 215197657 /nfs/dbraw/zinc/19/76/57/215197657.db2.gz NAIMDYFGKDFGLQ-CVEARBPZSA-N 0 0 343.427 0.739 10 0 ECAERN COCCN1CCN(C(=O)C(=O)Nc2cccnc2Cl)C[C@H]1C ZINC000179724366 233371451 /nfs/dbraw/zinc/37/14/51/233371451.db2.gz TZKZAOPWOHPHCT-LLVKDONJSA-N 0 0 340.811 0.853 10 0 ECAERN C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)N[C@H](C)COCc1ccccc1 ZINC000181134256 234094636 /nfs/dbraw/zinc/09/46/36/234094636.db2.gz WYWNZDBDKZLOIU-XJKCOSOUSA-N 0 0 334.416 0.984 10 0 ECAERN COCCCC(=O)Nc1c(N)n(-c2ccccc2)c(=O)n(C)c1=O ZINC000039125334 213231908 /nfs/dbraw/zinc/23/19/08/213231908.db2.gz XIDPBPJCTGIOQO-UHFFFAOYSA-N 0 0 332.360 0.484 10 0 ECAERN O=C(CNC(=O)N1CCC(Nc2cccnn2)CC1)NCC1CC1 ZINC000183789950 235227824 /nfs/dbraw/zinc/22/78/24/235227824.db2.gz WOKKBWSXDYOBBL-UHFFFAOYSA-N 0 0 332.408 0.589 10 0 ECAERN Cc1cnn(CCNCc2nnc3n2c2ccccc2c(=O)n3C)c1 ZINC000105881321 219575095 /nfs/dbraw/zinc/57/50/95/219575095.db2.gz ZYEHSOVHMXTMHS-UHFFFAOYSA-N 0 0 337.387 0.876 10 0 ECAERN COCC(=O)NC1CN(C(=O)NC[C@H](C)c2ncc(C)s2)C1 ZINC000185805430 235754938 /nfs/dbraw/zinc/75/49/38/235754938.db2.gz IRNLERVJVNBRIT-VIFPVBQESA-N 0 0 326.422 0.711 10 0 ECAERN O=C(NC1CN(S(=O)(=O)c2ccc3oc(=O)ccc3c2)C1)C1CC1 ZINC000187932055 236347279 /nfs/dbraw/zinc/34/72/79/236347279.db2.gz ATILZXVUGKKURD-UHFFFAOYSA-N 0 0 348.380 0.692 10 0 ECAERN COc1ccc(C(=O)N[C@@H]2[C@@H](c3cncnc3)C[C@@H](O)[C@H]2O)cc1 ZINC000072321785 216150462 /nfs/dbraw/zinc/15/04/62/216150462.db2.gz ZQUPDXRNWBRNPO-KLHDSHLOSA-N 0 0 329.356 0.493 10 0 ECAERN Cc1cccc(C[C@@H](CO)NC(=O)N[C@H]2CCc3ncnn3C2)c1 ZINC000190163558 238262110 /nfs/dbraw/zinc/26/21/10/238262110.db2.gz DPUGRABZPZSMME-GJZGRUSLSA-N 0 0 329.404 0.804 10 0 ECAERN COC(=O)Cc1nn(C)c2c1nnc1nc(Cc3ccccc3)nn12 ZINC000072462378 216244220 /nfs/dbraw/zinc/24/42/20/216244220.db2.gz WGYAFQYDDCTVKG-UHFFFAOYSA-N 0 0 337.343 0.712 10 0 ECAERN Cc1nnc(CN(C)CC(=O)N[C@@H](C)C(=O)N2CCCCC2)n1C ZINC000132159343 223305928 /nfs/dbraw/zinc/30/59/28/223305928.db2.gz ISENOXDFABXAKY-LBPRGKRZSA-N 0 0 336.440 0.073 10 0 ECAERN CO[C@@](C)(C(=O)NC[C@H](O)CN1CCOCC1)c1ccccc1F ZINC000191922137 239384579 /nfs/dbraw/zinc/38/45/79/239384579.db2.gz VWUMADGOZGVMDP-SUMWQHHRSA-N 0 0 340.395 0.497 10 0 ECAERN CCOC(=O)CN(CC(N)=O)C(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000109121432 219948587 /nfs/dbraw/zinc/94/85/87/219948587.db2.gz SDCNVAVNQYMFAP-WDEREUQCSA-N 0 0 340.326 0.945 10 0 ECAERN CCn1ncnc1CN1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000193338582 240117408 /nfs/dbraw/zinc/11/74/08/240117408.db2.gz QJYMSABQCXDABN-MRXNPFEDSA-N 0 0 345.447 0.856 10 0 ECAERN O=C(Nc1ccc(F)cn1)C(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000193474980 240178237 /nfs/dbraw/zinc/17/82/37/240178237.db2.gz MOLAKAKUWITXBA-LBPRGKRZSA-N 0 0 333.323 0.283 10 0 ECAERN CCCCOC[C@@H](O)Cn1c(=O)c2c(ncn2CCC)n(C)c1=O ZINC000193375073 240135231 /nfs/dbraw/zinc/13/52/31/240135231.db2.gz VEYVGPHBKQCOMX-LBPRGKRZSA-N 0 0 338.408 0.484 10 0 ECAERN COC(=O)[C@@H]1CCCN(C(=O)C2=C(C)N(C)c3ncnn3[C@H]2C)C1 ZINC000195197277 291353279 /nfs/dbraw/zinc/35/32/79/291353279.db2.gz NIOSPBTXPRQMQL-NWDGAFQWSA-N 0 0 333.392 0.975 10 0 ECAERN NC(=O)[C@H]1COCCN1S(=O)(=O)c1c[nH]c2cccc(F)c21 ZINC000195442985 240962731 /nfs/dbraw/zinc/96/27/31/240962731.db2.gz VOPCJBNANXKSSY-SNVBAGLBSA-N 0 0 327.337 0.182 10 0 ECAERN CC1(C)O[C@@H]2[C@H](O1)[C@H](CO)O[C@H]2n1cnc2c1ncnc2Cl ZINC000021989062 212268576 /nfs/dbraw/zinc/26/85/76/212268576.db2.gz VDYNZOUPLVQLRV-YLJFRXORSA-N 0 0 326.740 0.890 10 0 ECAERN CCN(C)C(=O)CNC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 ZINC000184492419 284279604 /nfs/dbraw/zinc/27/96/04/284279604.db2.gz HCADIZDBPXHJGS-CZUORRHYSA-N 0 0 335.379 0.940 10 0 ECAERN CN(C)C(=O)[C@H]1CCCN1S(=O)(=O)c1cccc2nsnc21 ZINC000019099428 211999417 /nfs/dbraw/zinc/99/94/17/211999417.db2.gz DTXMLYDJFZDPBS-SNVBAGLBSA-N 0 0 340.430 0.933 10 0 ECAERN CCCNC(=O)CCC(=O)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000110727796 220061961 /nfs/dbraw/zinc/06/19/61/220061961.db2.gz KTFOGOLDQUVFOV-UHFFFAOYSA-N 0 0 335.452 0.761 10 0 ECAERN COCCOCCC(=O)N1CCCN(Cc2noc(C)n2)CC1 ZINC000110946545 220083158 /nfs/dbraw/zinc/08/31/58/220083158.db2.gz PFFOOKREEYEYRB-UHFFFAOYSA-N 0 0 326.397 0.465 10 0 ECAERN COC(=O)CCCc1nc(CN2CCC[C@@H](n3cncn3)C2)no1 ZINC000111229517 220118192 /nfs/dbraw/zinc/11/81/92/220118192.db2.gz WDEVIKLRMXRCGW-GFCCVEGCSA-N 0 0 334.380 0.994 10 0 ECAERN Cc1ncc(CN2CCN(C(=O)NCCS(C)(=O)=O)CC2)s1 ZINC000111750180 220187472 /nfs/dbraw/zinc/18/74/72/220187472.db2.gz STUHJPJVCLMTMK-UHFFFAOYSA-N 0 0 346.478 0.323 10 0 ECAERN Cc1cnn([C@H]2CCCN(C(=O)NCCNS(C)(=O)=O)C2)c1 ZINC000111812871 220196713 /nfs/dbraw/zinc/19/67/13/220196713.db2.gz BYKFCXRBQJNNTF-LBPRGKRZSA-N 0 0 329.426 0.087 10 0 ECAERN C[C@@H](O)C1CCN(C(=O)C(=O)Nc2ccc(-n3cccn3)nc2)CC1 ZINC000111920470 220223816 /nfs/dbraw/zinc/22/38/16/220223816.db2.gz FXQSMEBQYHOFLF-GFCCVEGCSA-N 0 0 343.387 0.825 10 0 ECAERN CCOCCO[C@H](C)C(=O)N1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000112065160 220236976 /nfs/dbraw/zinc/23/69/76/220236976.db2.gz ACHQHURSQNWWDY-HUUCEWRRSA-N 0 0 325.409 0.861 10 0 ECAERN CCc1noc([C@H](C)N2CCN(C(=O)NCCNC(C)=O)CC2)n1 ZINC000112131215 220249939 /nfs/dbraw/zinc/24/99/39/220249939.db2.gz NJXORSAOQJHBBP-NSHDSACASA-N 0 0 338.412 0.156 10 0 ECAERN O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1-c1ccc(Cl)o1 ZINC000013604672 211590727 /nfs/dbraw/zinc/59/07/27/211590727.db2.gz XMWRRADZWTVZNE-JVUFJMBOSA-N 0 0 328.708 0.091 10 0 ECAERN CCNC(=O)C[C@@H]1C(=O)NCCN1Cc1cccc(OC)c1OC ZINC000012587506 211417807 /nfs/dbraw/zinc/41/78/07/211417807.db2.gz HMMMJFMQTALEJB-CYBMUJFWSA-N 0 0 335.404 0.530 10 0 ECAERN Cc1csc(=O)n1CCC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000172744993 207655576 /nfs/dbraw/zinc/65/55/76/207655576.db2.gz HGLWUQDRGWWCKR-CYBMUJFWSA-N 0 0 325.434 0.541 10 0 ECAERN CNC(=O)[C@H](NC(=O)C(=O)Nc1cnn(-c2ccccc2)c1)C(C)C ZINC000179083036 207695739 /nfs/dbraw/zinc/69/57/39/207695739.db2.gz RWVDOXZYCFWQBJ-CQSZACIVSA-N 0 0 343.387 0.698 10 0 ECAERN CC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2ccnn2[C@@H](C)C2CC2)C1 ZINC000191989528 207762053 /nfs/dbraw/zinc/76/20/53/207762053.db2.gz CJFQLMSNGPPCOD-SMDDNHRTSA-N 0 0 347.419 0.920 10 0 ECAERN COc1c(C(=O)N2CCCN(c3cccnn3)CC2)c(C)nn1C ZINC000112293582 220288150 /nfs/dbraw/zinc/28/81/50/220288150.db2.gz VPILTCDDEPVFLY-UHFFFAOYSA-N 0 0 330.392 0.880 10 0 ECAERN CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000112650275 220363716 /nfs/dbraw/zinc/36/37/16/220363716.db2.gz VXECRKIHHRHMPI-ZYFYVMIWSA-N 0 0 349.460 0.967 10 0 ECAERN Cc1ccc(C(=O)N[C@@H]2CCc3ncnn3C2)cc1NS(C)(=O)=O ZINC000112660319 220366852 /nfs/dbraw/zinc/36/68/52/220366852.db2.gz AQONEEATVWITEE-GFCCVEGCSA-N 0 0 349.416 0.703 10 0 ECAERN CC(C)c1nc2c(n1C)CCN(C(=O)CN1CCCS1(=O)=O)C2 ZINC000112664008 220368693 /nfs/dbraw/zinc/36/86/93/220368693.db2.gz VQPQZQJJQVUEGA-UHFFFAOYSA-N 0 0 340.449 0.464 10 0 ECAERN CCNC(=O)c1ccc(CNC(=O)N[C@H]2CCc3ncnn3C2)cc1 ZINC000112742514 220391926 /nfs/dbraw/zinc/39/19/26/220391926.db2.gz KGBQZQLTHQQDBL-AWEZNQCLSA-N 0 0 342.403 0.842 10 0 ECAERN C[C@@H](NC(=O)N[C@@H]1CCc2ncnn2C1)C(=O)NCc1ccccc1 ZINC000112745692 220395989 /nfs/dbraw/zinc/39/59/89/220395989.db2.gz UGAUZQXDEGESSW-TZMCWYRMSA-N 0 0 342.403 0.597 10 0 ECAERN C[C@H](NC(=O)N[C@@H]1CCc2ncnn2C1)C(=O)Nc1ccccc1 ZINC000112750662 220398078 /nfs/dbraw/zinc/39/80/78/220398078.db2.gz BKNCWBLHSVPPBS-WCQYABFASA-N 0 0 328.376 0.919 10 0 ECAERN COCCCS(=O)(=O)N1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC000116899786 221008136 /nfs/dbraw/zinc/00/81/36/221008136.db2.gz HVYPVBFLLZGXCZ-CQSZACIVSA-N 0 0 330.454 0.973 10 0 ECAERN CCOCCN1CCN(C(=O)[C@@H](C)NC(=O)c2ccco2)C[C@@H]1C ZINC000117275292 221041556 /nfs/dbraw/zinc/04/15/56/221041556.db2.gz YPSQQSCPFUMWRA-UONOGXRCSA-N 0 0 337.420 0.967 10 0 ECAERN COCCN1CCN(C(=O)c2ccnc(-n3cncn3)c2)C[C@H]1C ZINC000117284177 221042818 /nfs/dbraw/zinc/04/28/18/221042818.db2.gz NKDNVUPYYPNXHW-CYBMUJFWSA-N 0 0 330.392 0.455 10 0 ECAERN COCCN1CCN(C(=O)CCS(=O)(=O)CC(C)C)C[C@H]1C ZINC000117285877 221042898 /nfs/dbraw/zinc/04/28/98/221042898.db2.gz PIDNAWPVKHKKJC-CQSZACIVSA-N 0 0 334.482 0.626 10 0 ECAERN COCCN1CCN(C(=O)c2cnc3sccn3c2=O)C[C@@H]1C ZINC000117295817 221047109 /nfs/dbraw/zinc/04/71/09/221047109.db2.gz HHAZYHDLNCXPIU-NSHDSACASA-N 0 0 336.417 0.549 10 0 ECAERN CCCC[C@H](NC(N)=O)C(=O)N1CCN(CCOC)[C@H](CC)C1 ZINC000117300368 221048674 /nfs/dbraw/zinc/04/86/74/221048674.db2.gz JTRIOZZJMDRZGW-KGLIPLIRSA-N 0 0 328.457 0.783 10 0 ECAERN COCCN1CCN(C(=O)NCCNC(=O)c2ccccc2)C[C@H]1C ZINC000117474870 221067804 /nfs/dbraw/zinc/06/78/04/221067804.db2.gz ICERJNHGCZURBG-OAHLLOKOSA-N 0 0 348.447 0.779 10 0 ECAERN COCCN1CCN(C(=O)NCc2ccc(C(N)=O)cc2)C[C@@H]1C ZINC000117479390 221068046 /nfs/dbraw/zinc/06/80/46/221068046.db2.gz YKWBMHUHFKTGHY-ZDUSSCGKSA-N 0 0 334.420 0.648 10 0 ECAERN Cc1cnn(CCNS(=O)(=O)c2ccc3c(c2)C(=O)NCC3)c1 ZINC000117927698 221101180 /nfs/dbraw/zinc/10/11/80/221101180.db2.gz CDZJJAQWPZWLEW-UHFFFAOYSA-N 0 0 334.401 0.456 10 0 ECAERN Cc1cnn(CCNC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)c1 ZINC000117814249 221091626 /nfs/dbraw/zinc/09/16/26/221091626.db2.gz IDSZNOQDJOFPAB-UHFFFAOYSA-N 0 0 348.428 0.944 10 0 ECAERN Cc1cnn(CCNC(=O)C2=NN(c3ccccc3)[C@H](C(N)=O)C2)c1 ZINC000117810705 221091876 /nfs/dbraw/zinc/09/18/76/221091876.db2.gz CNBLYBZWVCYVRS-HNNXBMFYSA-N 0 0 340.387 0.428 10 0 ECAERN CS(=O)(=O)N1CC[C@H]2CN(C(=O)c3ccsc3)CCO[C@H]2C1 ZINC000247553206 257680804 /nfs/dbraw/zinc/68/08/04/257680804.db2.gz WLMALLOMDSFYRW-AAEUAGOBSA-N 0 0 344.458 0.871 10 0 ECAERN CS(=O)(=O)N1CC[C@@]2(C1)C[C@@H](NC(=O)c1ccncc1)CCO2 ZINC000247503701 257681676 /nfs/dbraw/zinc/68/16/76/257681676.db2.gz GHCTWJRQKGOIDP-ZFWWWQNUSA-N 0 0 339.417 0.395 10 0 ECAERN COc1ccc(C(=O)N2CC(NC(C)=O)C2)nc1Br ZINC000191477683 533289260 /nfs/dbraw/zinc/28/92/60/533289260.db2.gz VRRBTCPZUABQOS-UHFFFAOYSA-N 0 0 328.166 0.813 10 0 ECAERN CC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2c(C)noc2C2CC2)C1 ZINC000133584122 296673631 /nfs/dbraw/zinc/67/36/31/296673631.db2.gz HDDQBGLOQZMLDH-GFCCVEGCSA-N 0 0 334.376 0.926 10 0 ECAERN CC[C@H](CCO)NC(=O)[C@@H]1CCC[C@@H]1C(=O)N[C@H](CC)CCO ZINC000245896089 296729195 /nfs/dbraw/zinc/72/91/95/296729195.db2.gz SKQFRRDRPCYBSC-TUVASFSCSA-N 0 0 328.453 0.957 10 0 ECAERN CCS(=O)(=O)NCCNC(=O)N1CCC[C@@H]1c1cnn(C)c1 ZINC000170893941 286685059 /nfs/dbraw/zinc/68/50/59/286685059.db2.gz VKYYMJBXMSKMMZ-GFCCVEGCSA-N 0 0 329.426 0.206 10 0 ECAERN CC(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000169088545 164822327 /nfs/dbraw/zinc/82/23/27/164822327.db2.gz HKKYJKARACZIQZ-LBPRGKRZSA-N 0 0 345.321 0.529 10 0 ECAERN Cc1csc([C@H]2CCCN(C(=O)NCCNS(C)(=O)=O)C2)n1 ZINC000173481359 164856205 /nfs/dbraw/zinc/85/62/05/164856205.db2.gz VQZINXXAVOUZNG-NSHDSACASA-N 0 0 346.478 0.890 10 0 ECAERN CC1([C@H]2CCCN(C(=O)N[C@H]3CCc4ncnn4C3)C2)OCCO1 ZINC000181800049 164946856 /nfs/dbraw/zinc/94/68/56/164946856.db2.gz QDBQLUNDZDMEST-STQMWFEESA-N 0 0 335.408 0.778 10 0 ECAERN Cc1nn(C)c(C)c1-c1cc(C(=O)N2CCCNC(=O)[C@@H]2C)[nH]n1 ZINC000188956732 165004172 /nfs/dbraw/zinc/00/41/72/165004172.db2.gz VOHABORLTRDCHV-NSHDSACASA-N 0 0 330.392 0.778 10 0 ECAERN C[C@H]1C(=O)NCCCN1C(=O)[C@@H]1CCCN1C(=O)Cc1ccccc1 ZINC000189233700 165006714 /nfs/dbraw/zinc/00/67/14/165006714.db2.gz XOMCZQNHBGYTAZ-HOCLYGCPSA-N 0 0 343.427 0.957 10 0 ECAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N[C@H]1CCCN(c2ccccc2F)C1 ZINC000189915660 165017211 /nfs/dbraw/zinc/01/72/11/165017211.db2.gz WXOFOUAPOMOUSI-JJRVBVJISA-N 0 0 349.406 0.892 10 0 ECAERN CC(=O)NC1CN(C(=O)N[C@H]2C[C@H](C)N(c3ccccc3)C2=O)C1 ZINC000190220707 165019472 /nfs/dbraw/zinc/01/94/72/165019472.db2.gz MKTBOKJAKVPULY-NHYWBVRUSA-N 0 0 330.388 0.710 10 0 ECAERN Cc1ccc(C[C@H](CO)NC(=O)N[C@@H]2CCc3ncnn3C2)cc1 ZINC000190163379 165019665 /nfs/dbraw/zinc/01/96/65/165019665.db2.gz QNNFMAKFIBJCMM-HUUCEWRRSA-N 0 0 329.404 0.804 10 0 ECAERN C[C@@H]1C(=O)NCCCN1C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000191212386 165030573 /nfs/dbraw/zinc/03/05/73/165030573.db2.gz ANWRSXYHUARDRC-CQSZACIVSA-N 0 0 345.447 0.966 10 0 ECAERN Cc1nccn1-c1ccc(CNC(=O)N2CCCNC(=O)[C@H]2C)cn1 ZINC000191240477 165031051 /nfs/dbraw/zinc/03/10/51/165031051.db2.gz OLELPIQCEWMAGP-GFCCVEGCSA-N 0 0 342.403 0.996 10 0 ECAERN C[C@H]1C(=O)NCCCN1C(=O)NCCn1c2ccccc2oc1=O ZINC000191371051 165031222 /nfs/dbraw/zinc/03/12/22/165031222.db2.gz VCLQXOOCTMCHSN-NSHDSACASA-N 0 0 332.360 0.515 10 0 ECAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCCOCc1ccc(Cl)cc1 ZINC000193675445 165057230 /nfs/dbraw/zinc/05/72/30/165057230.db2.gz AWVVFGIJXDLFSU-HUUCEWRRSA-N 0 0 340.807 0.955 10 0 ECAERN C[C@@H]1C(=O)NCCCN1C(=O)C(=O)Nc1cc(C(F)(F)F)ccn1 ZINC000194402044 165066407 /nfs/dbraw/zinc/06/64/07/165066407.db2.gz XOEZIAWGHASOQJ-MRVPVSSYSA-N 0 0 344.293 0.776 10 0 ECAERN CN1CCO[C@H](CNC(=O)COc2ccc3ccc(=O)oc3c2)C1 ZINC000194619678 165069059 /nfs/dbraw/zinc/06/90/59/165069059.db2.gz NFTAZAJKOMRPJI-CQSZACIVSA-N 0 0 332.356 0.619 10 0 ECAERN CN(CC(=O)N1CCO[C@@H]2CCCC[C@@H]21)c1ncnc2nc[nH]c21 ZINC000194594369 165069853 /nfs/dbraw/zinc/06/98/53/165069853.db2.gz NURKVAPOCAGNKI-NWDGAFQWSA-N 0 0 330.392 0.959 10 0 ECAERN C[C@H](c1ccccc1)[C@@](C)(O)C(=O)NC[C@@H](O)CN1CCOCC1 ZINC000245647547 165111707 /nfs/dbraw/zinc/11/17/07/165111707.db2.gz UJBVDGHFJYXWMA-QGPMSJSTSA-N 0 0 336.432 0.350 10 0 ECAERN CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)N2CCC[C@H]2c2cnn(C)c2)O1 ZINC000246116046 165123227 /nfs/dbraw/zinc/12/32/27/165123227.db2.gz QFTAHAOBGFBRIT-ILXRZTDVSA-N 0 0 349.435 0.902 10 0 ECAERN C[C@@H]1CN(S(=O)(=O)CC2CCOCC2)C[C@H]1N1CCOCC1 ZINC000246453310 165135880 /nfs/dbraw/zinc/13/58/80/165135880.db2.gz IXFOVYSSROIZCL-UKRRQHHQSA-N 0 0 332.466 0.395 10 0 ECAERN COCc1nc2n(n1)C[C@H](NC(=O)NC[C@H]1CCCC[C@H]1O)CC2 ZINC000246500616 165138406 /nfs/dbraw/zinc/13/84/06/165138406.db2.gz JCRJMSKVZJQHJU-JHJVBQTASA-N 0 0 337.424 0.590 10 0 ECAERN COCCN1CCN(C(=O)N[C@H](C)[C@H](C)N2CCOCC2)C[C@@H]1C ZINC000247131947 165151900 /nfs/dbraw/zinc/15/19/00/165151900.db2.gz ONJGPNNGUUOYSY-XHSDSOJGSA-N 0 0 342.484 0.458 10 0 ECAERN COCCN1CCN([C@H](C)C(=O)NC(=O)NCC(C)C)C[C@H]1C ZINC000247140963 165155345 /nfs/dbraw/zinc/15/53/45/165155345.db2.gz KZNIHQPAHPWKAG-ZIAGYGMSSA-N 0 0 328.457 0.509 10 0 ECAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)N[C@H](C)C[S@@](C)=O)CC2 ZINC000248447954 165175016 /nfs/dbraw/zinc/17/50/16/165175016.db2.gz DJOIFQORDLRFKV-XJUBTRFSSA-N 0 0 327.454 0.783 10 0 ECAERN O[C@@H](CN1CCOCC1)CN1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000249879234 165201928 /nfs/dbraw/zinc/20/19/28/165201928.db2.gz MTPWGZGAINDOHH-JKSUJKDBSA-N 0 0 349.479 0.835 10 0 ECAERN CS(=O)(=O)Nc1cccc(NC(=O)[C@H]([NH3+])C2CCOCC2)c1 ZINC000261636637 165218931 /nfs/dbraw/zinc/21/89/31/165218931.db2.gz DFIMPVPCGLFVFS-CYBMUJFWSA-N 0 0 327.406 0.751 10 0 ECAERN CC1CCN(C(=O)C2CCN(C(=O)[C@H]3NCCO[C@@H]3C)CC2)CC1 ZINC000261918433 165261382 /nfs/dbraw/zinc/26/13/82/165261382.db2.gz KAQSZEDFDXLCIB-ZBFHGGJFSA-N 0 0 337.464 0.860 10 0 ECAERN CCCS(=O)(=O)[N-]c1ccccc1C(=O)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262112893 165292520 /nfs/dbraw/zinc/29/25/20/165292520.db2.gz FMALPXNLGSGRAB-SMDDNHRTSA-N 0 0 341.433 0.148 10 0 ECAERN Cc1ccc(S(=O)(=O)NCCN(C)Cc2noc(CN)n2)cc1 ZINC000262311543 165327690 /nfs/dbraw/zinc/32/76/90/165327690.db2.gz YZWRPVOYSSIEOB-UHFFFAOYSA-N 0 0 339.421 0.247 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NS(=O)(=O)N2C[C@H](C)C[C@H](C)C2)C1 ZINC000262454096 165351417 /nfs/dbraw/zinc/35/14/17/165351417.db2.gz HAUZZYNIUYGQOE-VTXSZYRJSA-N 0 0 347.481 0.736 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NS(=O)(=O)c2ccc(OC)cc2)C1 ZINC000262456697 165352020 /nfs/dbraw/zinc/35/20/20/165352020.db2.gz IBOUXDYIIGKREL-UHFFFAOYSA-N 0 0 342.417 0.911 10 0 ECAERN CS(=O)(=O)Nc1cccc(CNC(=O)[C@H]2CC(F)(F)CN2)c1 ZINC000262893652 165398232 /nfs/dbraw/zinc/39/82/32/165398232.db2.gz CTRMQVOBYHJDOY-LLVKDONJSA-N 0 0 333.360 0.672 10 0 ECAERN C[N@@H+](CC(=O)[O-])C[C@@H]1CN(C(=O)c2cc(-c3ccco3)n[nH]2)CCO1 ZINC000262898001 165398714 /nfs/dbraw/zinc/39/87/14/165398714.db2.gz HRLBEYVVKOOCKK-LLVKDONJSA-N 0 0 348.359 0.527 10 0 ECAERN CCc1cc(=O)n2nc(N3CCN(CC(=O)OC)CC3)sc2n1 ZINC000301071086 296881815 /nfs/dbraw/zinc/88/18/15/296881815.db2.gz FMTNFAUOQJQJKR-UHFFFAOYSA-N 0 0 337.405 0.008 10 0 ECAERN Cc1nnc2ccc(NCCNc3nnnn3-c3ccccc3)nn12 ZINC000301814783 296891838 /nfs/dbraw/zinc/89/18/38/296891838.db2.gz ZGCJBWIZQHUDOU-UHFFFAOYSA-N 0 0 336.363 0.932 10 0 ECAERN COC[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000171426969 227073756 /nfs/dbraw/zinc/07/37/56/227073756.db2.gz HYKLRSAACSITCO-CYBMUJFWSA-N 0 0 326.418 0.802 10 0 ECAERN COC[C@H](C)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000171426966 227074709 /nfs/dbraw/zinc/07/47/09/227074709.db2.gz HYKLRSAACSITCO-ZDUSSCGKSA-N 0 0 326.418 0.802 10 0 ECAERN CCCC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2cc(CC)nn2C)C1 ZINC000123647058 222310339 /nfs/dbraw/zinc/31/03/39/222310339.db2.gz YRCJKLAMZJGIEP-CYBMUJFWSA-N 0 0 349.435 0.828 10 0 ECAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000124126747 222379123 /nfs/dbraw/zinc/37/91/23/222379123.db2.gz XWPZUUMLNCELAG-CMPLNLGQSA-N 0 0 343.391 0.568 10 0 ECAERN O=C(CNC(=O)N1CCC(Cn2cccn2)CC1)NCC(F)(F)F ZINC000124245042 222397406 /nfs/dbraw/zinc/39/74/06/222397406.db2.gz IKNUXDUJZQVWGY-UHFFFAOYSA-N 0 0 347.341 0.983 10 0 ECAERN CCOc1ccnc(N2CCN(C(=O)CCn3ccnn3)CC2)n1 ZINC000171810246 227293221 /nfs/dbraw/zinc/29/32/21/227293221.db2.gz UNAKUTJQSNBAKI-UHFFFAOYSA-N 0 0 331.380 0.206 10 0 ECAERN O=C(N[C@@H](CO)c1cccc(Br)c1)[C@H]1CNC(=O)C1 ZINC000181114245 263156695 /nfs/dbraw/zinc/15/66/95/263156695.db2.gz OFJFZDGNEYSONE-KOLCDFICSA-N 0 0 327.178 0.735 10 0 ECAERN CC(=O)NC1CN(S(=O)(=O)c2cccc(Br)c2)C1 ZINC000188550596 263161564 /nfs/dbraw/zinc/16/15/64/263161564.db2.gz ZPJOTCALYHWEHT-UHFFFAOYSA-N 0 0 333.207 0.958 10 0 ECAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NCCOCC(F)F ZINC000188730495 263162357 /nfs/dbraw/zinc/16/23/57/263162357.db2.gz UMSCWKMVDJZIHZ-JTQLQIEISA-N 0 0 328.381 0.589 10 0 ECAERN CCN(CC(=O)Nc1c(F)cccc1F)C(=O)[C@H]1CNC(=O)C1 ZINC000194769240 263169180 /nfs/dbraw/zinc/16/91/80/263169180.db2.gz YLYJOCRTECOKJZ-SECBINFHSA-N 0 0 325.315 0.888 10 0 ECAERN CN(C)C(=O)COC[C@@H]1CN(Cc2ccc(CO)o2)CC(C)(C)O1 ZINC000284462225 264215458 /nfs/dbraw/zinc/21/54/58/264215458.db2.gz FDRAOTNNHLHQHH-HNNXBMFYSA-N 0 0 340.420 0.856 10 0 ECAERN COC[C@@H]1C[C@H](OC)CN1C(=O)c1ccc(=O)n(-c2cnn(C)c2)c1 ZINC000284477817 264217970 /nfs/dbraw/zinc/21/79/70/264217970.db2.gz BQMLXOGRGLUOBZ-ZFWWWQNUSA-N 0 0 346.387 0.447 10 0 ECAERN CC(=O)OC[C@@H]1O[C@H](OC(C)=O)[C@@](C)(OC(C)=O)[C@H]1OC(C)=O ZINC000253493008 278219469 /nfs/dbraw/zinc/21/94/69/278219469.db2.gz RVXADQSOQHONLK-XUXIUFHCSA-N 0 0 332.305 0.091 10 0 ECAERN CC1=C(C(=O)N2CC[C@H](N3CCOCC3)C2)[C@@H](C)n2ncnc2N1C ZINC000193225604 278483702 /nfs/dbraw/zinc/48/37/02/278483702.db2.gz GQANOFWECIFZBE-KGLIPLIRSA-N 0 0 346.435 0.496 10 0 ECAERN NS(=O)(=O)c1ncc(I)cc1OC1CC1 ZINC000095734530 295291348 /nfs/dbraw/zinc/29/13/48/295291348.db2.gz GZAGYRAQUOVZAT-UHFFFAOYSA-N 0 0 340.142 0.875 10 0 ECAERN O=C(NCC1(N2CCOCC2)CC1)N1CCN(Cc2ccon2)CC1 ZINC000332999113 297098731 /nfs/dbraw/zinc/09/87/31/297098731.db2.gz AMXOGYOMDPNHTP-UHFFFAOYSA-N 0 0 349.435 0.367 10 0 ECAERN CC[N@@H+]1CCC[C@@H](CN(C)Cc2nc(=O)n(C)[nH]2)[C@@H]1c1cnn(C)c1 ZINC000333037379 297103522 /nfs/dbraw/zinc/10/35/22/297103522.db2.gz NUDRHDLUIDLRED-XJKSGUPXSA-N 0 0 347.467 0.747 10 0 ECAERN O=C(CN1CN=NC1=O)N1CCC([C@@H]2C(=O)Nc3ccccc32)CC1 ZINC000333088817 297108436 /nfs/dbraw/zinc/10/84/36/297108436.db2.gz SEWMEGYQJMAJTN-HNNXBMFYSA-N 0 0 341.371 0.958 10 0 ECAERN CN1CCN(C(=O)Cn2cc(NC(=O)[C@@H]3C[C@@H]3C3CC3)cn2)CC1 ZINC000333092688 297108917 /nfs/dbraw/zinc/10/89/17/297108917.db2.gz ZULAVHWJKPPKDU-HUUCEWRRSA-N 0 0 331.420 0.642 10 0 ECAERN CO[C@@H]1COC[C@H]1N1C[C@@H](C(F)(F)F)[C@H](S(=O)(=O)N(C)C)C1 ZINC000333635379 297145812 /nfs/dbraw/zinc/14/58/12/297145812.db2.gz AZUUENQINNOTNZ-GWOFURMSSA-N 0 0 346.371 0.154 10 0 ECAERN CC(C)[C@H]1N(C(=O)NCCC(=O)N2CCOCC2)C[C@]12CCCO2 ZINC000333962210 297157365 /nfs/dbraw/zinc/15/73/65/297157365.db2.gz MTKCTVHKJSESIO-NVXWUHKLSA-N 0 0 339.436 0.834 10 0 ECAERN CO[C@H]1C[C@H](C(=O)NC[C@]2(C)CCCC[C@@H]2O)N(S(C)(=O)=O)C1 ZINC000365135821 300422332 /nfs/dbraw/zinc/42/23/32/300422332.db2.gz TURPYIUBMMFFPO-XFMPKHEZSA-N 0 0 348.465 0.093 10 0 ECAERN CCCC(=O)N1CCCC[C@H]1C(=O)N1CCC[C@@](O)(C(N)=O)C1 ZINC000367570053 300621761 /nfs/dbraw/zinc/62/17/61/300621761.db2.gz DSONHMUNAIBNGO-LRDDRELGSA-N 0 0 325.409 0.006 10 0 ECAERN CC(C)[C@@H]1OCC[C@H]1C(=O)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000370492607 300834745 /nfs/dbraw/zinc/83/47/45/300834745.db2.gz RRZZMPOMHZVYTG-IIYDPXPESA-N 0 0 337.420 0.884 10 0 ECAERN Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)N[C@H](C)C1CC1 ZINC000023040475 436123114 /nfs/dbraw/zinc/12/31/14/436123114.db2.gz ZEVYCHYOMDPMFO-LLVKDONJSA-N 0 0 334.420 0.762 10 0 ECAERN CCc1noc([C@]2(O)CCN(C(=O)c3ccc(N(C)C)nc3)C2)n1 ZINC000375732350 301203491 /nfs/dbraw/zinc/20/34/91/301203491.db2.gz QKYUZLBCBYFCPF-INIZCTEOSA-N 0 0 331.376 0.827 10 0 ECAERN C[C@H](C(=O)N[C@@H]1CCCC[C@@H]1CO)N1C(=O)NC2(CCCC2)C1=O ZINC000378296624 301427521 /nfs/dbraw/zinc/42/75/21/301427521.db2.gz VMSGYUGGBAISDK-JHJVBQTASA-N 0 0 337.420 0.907 10 0 ECAERN CC(=O)N[C@H]1CCCN(CC(=O)NCCN2CCc3ccccc32)C1 ZINC000079886179 436306971 /nfs/dbraw/zinc/30/69/71/436306971.db2.gz ISMKXJKTMJORFY-KRWDZBQOSA-N 0 0 344.459 0.766 10 0 ECAERN COC(=O)[C@@H]1CCCCN1C(=O)Cn1nnc(-c2ccccc2)n1 ZINC000042648638 436311472 /nfs/dbraw/zinc/31/14/72/436311472.db2.gz KPQGGKBQTYABLN-ZDUSSCGKSA-N 0 0 329.360 0.894 10 0 ECAERN CCc1nnc(CS(=O)(=O)CC(=O)N2C[C@@H](C)C[C@H](C)C2)n1C ZINC000091049455 436439454 /nfs/dbraw/zinc/43/94/54/436439454.db2.gz PVJHFQHBANAUSU-RYUDHWBXSA-N 0 0 342.465 0.797 10 0 ECAERN Cc1ccn(C)c(=O)c1NC(=O)C(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000091249347 436446965 /nfs/dbraw/zinc/44/69/65/436446965.db2.gz YQDURYCTCOKZON-UGSOOPFHSA-N 0 0 347.415 0.786 10 0 ECAERN CCNC(=O)c1ccc(CNC(=O)NC[C@H](C)N2CCOCC2)cc1 ZINC000048851015 436460486 /nfs/dbraw/zinc/46/04/86/436460486.db2.gz GYGWNCFUKWALTE-AWEZNQCLSA-N 0 0 348.447 0.956 10 0 ECAERN CNC(=O)[C@H](NC(=O)CN1CCC[C@@H]1C(=O)N(C)C)c1ccccc1 ZINC000052312163 436506941 /nfs/dbraw/zinc/50/69/41/436506941.db2.gz STAXKXVMWFWEQU-GDBMZVCRSA-N 0 0 346.431 0.143 10 0 ECAERN C[C@@H]1CN(C(=O)CN2CCCN(c3cccnn3)CC2)C[C@@H](C)O1 ZINC000105799043 436578742 /nfs/dbraw/zinc/57/87/42/436578742.db2.gz VYSNEGWRGKKWRC-HUUCEWRRSA-N 0 0 333.436 0.625 10 0 ECAERN COCCC(C)(C)C(=O)N1C[C@H](C(N)=O)[C@@H](c2cnn(C)c2C)C1 ZINC000527580589 301874192 /nfs/dbraw/zinc/87/41/92/301874192.db2.gz QUCZEHWQFFKSLH-KGLIPLIRSA-N 0 0 336.436 0.819 10 0 ECAERN CCCC(=O)N[C@H]1CCCN(CC(=O)N(C)Cc2cnn(C)c2)C1 ZINC000101563523 436548536 /nfs/dbraw/zinc/54/85/36/436548536.db2.gz GTKVCLZVGGOUHA-HNNXBMFYSA-N 0 0 335.452 0.759 10 0 ECAERN Cc1nnc(CN2CCN([C@H](C)C(=O)NC3CCCC3)CC2)n1C ZINC000103491584 436556142 /nfs/dbraw/zinc/55/61/42/436556142.db2.gz VFPQRMVMEXYMRS-CYBMUJFWSA-N 0 0 334.468 0.688 10 0 ECAERN CN1CCO[C@@H](CNC(=O)NCCNC(=O)CC2CCCCC2)C1 ZINC000104798149 436563274 /nfs/dbraw/zinc/56/32/74/436563274.db2.gz OAYQEKHCNUDSEB-HNNXBMFYSA-N 0 0 340.468 0.703 10 0 ECAERN CCn1cnnc1C1CCN(C(=O)[C@H]2CC(=O)N(CCOC)C2)CC1 ZINC000105861820 436582452 /nfs/dbraw/zinc/58/24/52/436582452.db2.gz AQEDUUDCVCKAKA-AWEZNQCLSA-N 0 0 349.435 0.499 10 0 ECAERN NC(=O)c1ccccc1NC(=O)CN1CCO[C@H](Cn2cccn2)C1 ZINC000105889679 436584922 /nfs/dbraw/zinc/58/49/22/436584922.db2.gz BBUBCAHOZNCWQP-ZDUSSCGKSA-N 0 0 343.387 0.322 10 0 ECAERN Cc1ncc(CN2CCN(C[C@H](O)CN3CCOCC3)CC2)s1 ZINC000105902367 436587362 /nfs/dbraw/zinc/58/73/62/436587362.db2.gz PZFQETNXQZBRSZ-HNNXBMFYSA-N 0 0 340.493 0.262 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)Cn2ccc(=O)c3ccccc32)CC1 ZINC000106398278 436593588 /nfs/dbraw/zinc/59/35/88/436593588.db2.gz QWBOLKUKDDKJSI-OAHLLOKOSA-N 0 0 343.427 0.917 10 0 ECAERN CC(C)(C)n1cc(CN2CCN(C(=O)[C@@H]3CNC(=O)C3)CC2)cn1 ZINC000113860126 436638789 /nfs/dbraw/zinc/63/87/89/436638789.db2.gz XQPKIOWXNVICEC-AWEZNQCLSA-N 0 0 333.436 0.418 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)NCCNC(=O)c1ccco1)CC2 ZINC000114921469 436645441 /nfs/dbraw/zinc/64/54/41/436645441.db2.gz QNIWUEWWZWYGLO-NSHDSACASA-N 0 0 346.391 0.478 10 0 ECAERN CCCCN(C)S(=O)(=O)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000115580832 436647972 /nfs/dbraw/zinc/64/79/72/436647972.db2.gz XSULUQDJOGPVKS-UHFFFAOYSA-N 0 0 343.497 0.905 10 0 ECAERN O=C(Cn1c(=O)c2nncn2c2ncccc21)NCc1ccccc1 ZINC000065172909 436651880 /nfs/dbraw/zinc/65/18/80/436651880.db2.gz ZFAUEZHSPJELHJ-UHFFFAOYSA-N 0 0 334.339 0.756 10 0 ECAERN C[C@@H](COCc1ccccc1)NS(=O)(=O)[C@@H](C)C(=O)N(C)C ZINC000193966628 436655671 /nfs/dbraw/zinc/65/56/71/436655671.db2.gz UWIHRQRLXPHQHC-STQMWFEESA-N 0 0 328.434 0.988 10 0 ECAERN COCC[N@H+](C)CCCNC(=O)N[C@H](C)c1nnc2n1CCCC2 ZINC000151510554 436705006 /nfs/dbraw/zinc/70/50/06/436705006.db2.gz VEVWHFLDLQJARF-CYBMUJFWSA-N 0 0 338.456 0.943 10 0 ECAERN C[S@](=O)c1ccc(NC(=O)C(=O)N2CCC[C@H]2CO)cc1F ZINC000121004760 436705381 /nfs/dbraw/zinc/70/53/81/436705381.db2.gz VQPBBHOUZLZMNK-MLMJSJRWSA-N 0 0 328.365 0.485 10 0 ECAERN COC(=O)c1cc2n(n1)CCN(CC(C)(C)CN1CCOCC1)C2 ZINC000065433863 436662164 /nfs/dbraw/zinc/66/21/64/436662164.db2.gz MYWQMVJEQXPOEX-UHFFFAOYSA-N 0 0 336.436 0.844 10 0 ECAERN COc1cc2c(cc1OC[C@@H](O)CN1CCOCC1)nc[nH]c2=O ZINC000144476449 436676168 /nfs/dbraw/zinc/67/61/68/436676168.db2.gz SCCLOOQOYYFKLX-NSHDSACASA-N 0 0 335.360 0.004 10 0 ECAERN C[C@@H](NC(=O)c1ccc2nncn2c1)c1ccc(S(N)(=O)=O)cc1 ZINC000120286932 436682326 /nfs/dbraw/zinc/68/23/26/436682326.db2.gz PTMMHGZWXZEKMP-SNVBAGLBSA-N 0 0 345.384 0.868 10 0 ECAERN COc1ccc([C@@H](CO)N(C)C(=O)N[C@H]2CCc3ncnn3C2)cc1 ZINC000121788165 436724301 /nfs/dbraw/zinc/72/43/01/436724301.db2.gz YUJIEWLEEJYMBY-DZGCQCFKSA-N 0 0 345.403 0.977 10 0 ECAERN O=C(Cc1ccc(-n2cccn2)cc1)NC[C@H](O)CN1CCOCC1 ZINC000122567005 436735273 /nfs/dbraw/zinc/73/52/73/436735273.db2.gz QWEDCIIUQIFIQQ-KRWDZBQOSA-N 0 0 344.415 0.224 10 0 ECAERN C[C@H](NC(=O)C(=O)Nc1ccc(Cn2cncn2)cc1)[C@@H]1CCCO1 ZINC000124527774 436751362 /nfs/dbraw/zinc/75/13/62/436751362.db2.gz DZBNSKJEIPGVGW-WFASDCNBSA-N 0 0 343.387 0.949 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)NCCCO[C@H]1CCOC1)CC2 ZINC000121513244 436716698 /nfs/dbraw/zinc/71/66/98/436716698.db2.gz TYFFVBVSYXIUGQ-STQMWFEESA-N 0 0 337.424 0.650 10 0 ECAERN CC[N@H+](C)[C@@H](C(=O)NC[C@H](O)CN1CCOCC1)c1ccccc1 ZINC000128086203 436811804 /nfs/dbraw/zinc/81/18/04/436811804.db2.gz LGMVLLJNNVOZNB-DLBZAZTESA-N 0 0 335.448 0.489 10 0 ECAERN Cc1ccc(OCCC(=O)NC[C@@H](O)CN2CCOCC2)cc1C ZINC000128987737 436822502 /nfs/dbraw/zinc/82/25/02/436822502.db2.gz VCOFJWYIBXFFKA-MRXNPFEDSA-N 0 0 336.432 0.882 10 0 ECAERN C[C@@H](Oc1cccc(F)c1)C(=O)NC[C@H](O)CN1CCOCC1 ZINC000128980919 436822673 /nfs/dbraw/zinc/82/26/73/436822673.db2.gz PXOWEKHHMLMLLZ-OCCSQVGLSA-N 0 0 326.368 0.402 10 0 ECAERN C[C@H]1CN([C@H](CNC(=O)Cn2cnnn2)c2cccs2)CCO1 ZINC000246687940 436784807 /nfs/dbraw/zinc/78/48/07/436784807.db2.gz DODWXYPVQVEIFW-NWDGAFQWSA-N 0 0 336.421 0.313 10 0 ECAERN CCCCCS(=O)(=O)CC(=O)N1CCN(C[C@H](C)O)[C@H](CC)C1 ZINC000246810485 436786411 /nfs/dbraw/zinc/78/64/11/436786411.db2.gz KOZYXEKCIQFFLB-LSDHHAIUSA-N 0 0 348.509 0.895 10 0 ECAERN CNC(=O)c1cccc(CCNC(=O)N[C@@H]2CCc3ncnn3C2)c1 ZINC000155350900 436795043 /nfs/dbraw/zinc/79/50/43/436795043.db2.gz JBKCDTXXORUPBW-CQSZACIVSA-N 0 0 342.403 0.494 10 0 ECAERN C[C@H](NC(=O)c1ccco1)C(=O)N1CCC[C@@H](Cn2cncn2)C1 ZINC000127193394 436797525 /nfs/dbraw/zinc/79/75/25/436797525.db2.gz BYZWKHQTRWGIRT-QWHCGFSZSA-N 0 0 331.376 0.928 10 0 ECAERN Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000155626053 436799593 /nfs/dbraw/zinc/79/95/93/436799593.db2.gz KUSLSHSNCQFTNS-JSGCOSHPSA-N 0 0 332.404 0.849 10 0 ECAERN C[C@@H](NC(=O)c1ccco1)C(=O)N(CCS(C)(=O)=O)C1CC1 ZINC000155793200 436802809 /nfs/dbraw/zinc/80/28/09/436802809.db2.gz NFWAKIMOGJETBN-SNVBAGLBSA-N 0 0 328.390 0.434 10 0 ECAERN CNC(=O)[C@@H]1CN(C(=O)Cc2c(F)cccc2Cl)C[C@H]1CO ZINC000253403021 436841156 /nfs/dbraw/zinc/84/11/56/436841156.db2.gz GWFSLRITMCKZQT-GXSJLCMTSA-N 0 0 328.771 0.835 10 0 ECAERN Cc1cc(C)n(CCC(=O)NC2CCN(c3ccc(=O)[nH]n3)CC2)n1 ZINC000253403901 436842015 /nfs/dbraw/zinc/84/20/15/436842015.db2.gz HNZDOYQBZRRFMI-UHFFFAOYSA-N 0 0 344.419 0.759 10 0 ECAERN CCc1noc([C@H](C)N2CCN(c3cncc(OCCO)n3)CC2)n1 ZINC000132453909 436865758 /nfs/dbraw/zinc/86/57/58/436865758.db2.gz VEQQYYUMOIUROK-LBPRGKRZSA-N 0 0 348.407 0.676 10 0 ECAERN CCCNC(=O)CCNC(=O)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000157323117 436826708 /nfs/dbraw/zinc/82/67/08/436826708.db2.gz CBUFRFZSGNRXHZ-LBPRGKRZSA-N 0 0 336.440 0.932 10 0 ECAERN O=C(NC[C@@H](O)CN1CCOCC1)c1ccc2ccccc2c1O ZINC000129509331 436827743 /nfs/dbraw/zinc/82/77/43/436827743.db2.gz LLKZORYNWYJJTA-CQSZACIVSA-N 0 0 330.384 0.968 10 0 ECAERN CCn1cc(CN2CCCN(C(=O)N[C@H]3CCN(C)C3=O)CC2)cn1 ZINC000129904507 436831892 /nfs/dbraw/zinc/83/18/92/436831892.db2.gz NREXUXYQIUVYKO-HNNXBMFYSA-N 0 0 348.451 0.351 10 0 ECAERN CC(C)[C@@H](O)CC(=O)NCCN(C)S(=O)(=O)c1cccs1 ZINC000162916714 436915128 /nfs/dbraw/zinc/91/51/28/436915128.db2.gz CGSCPKJTKWIGBQ-NSHDSACASA-N 0 0 334.463 0.892 10 0 ECAERN CN(C)c1ncc(NC(=O)C(=O)N2CCC[C@@H]2c2cnn(C)c2)cn1 ZINC000163922439 436928047 /nfs/dbraw/zinc/92/80/47/436928047.db2.gz ZNMOSJMSQYXCQQ-CYBMUJFWSA-N 0 0 343.391 0.578 10 0 ECAERN CC(C)(O)Cn1nc(I)c2c1ncnc2N ZINC000261507541 436879096 /nfs/dbraw/zinc/87/90/96/436879096.db2.gz JRQMLDLFZUELRU-UHFFFAOYSA-N 0 0 333.133 0.784 10 0 ECAERN CC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2c(C)noc2C2CC2)C1 ZINC000133583885 436882003 /nfs/dbraw/zinc/88/20/03/436882003.db2.gz HDDQBGLOQZMLDH-LBPRGKRZSA-N 0 0 334.376 0.926 10 0 ECAERN CCc1n[nH]c(=O)c(C(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)c1CC ZINC000136002636 436927565 /nfs/dbraw/zinc/92/75/65/436927565.db2.gz HCGRMMTWZNGYTH-IUODEOHRSA-N 0 0 348.447 0.687 10 0 ECAERN Cc1cccc(C)c1NC(=O)CNC(=O)NC[C@H]1CN(C)CCO1 ZINC000170924717 436962587 /nfs/dbraw/zinc/96/25/87/436962587.db2.gz JQAZAHXSRBYJIK-AWEZNQCLSA-N 0 0 334.420 0.872 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)[C@@H](C)NC(=O)CC(C)(C)C)C1 ZINC000263411724 436965644 /nfs/dbraw/zinc/96/56/44/436965644.db2.gz JBKKNYRQJJAZKL-PNESKVBLSA-N 0 0 341.452 0.981 10 0 ECAERN CCCC(=O)N[C@H]1CCCN(C(=O)N[C@@H]2CCc3nc(C)nn3C2)C1 ZINC000171083482 436966644 /nfs/dbraw/zinc/96/66/44/436966644.db2.gz ZVRDZDOLJQOYGS-UONOGXRCSA-N 0 0 348.451 0.992 10 0 ECAERN CC(=O)[C@H]1CC(C(=O)NC[C@@H]2CN(C)CCO2)=NN1c1ccccc1 ZINC000171286679 436975406 /nfs/dbraw/zinc/97/54/06/436975406.db2.gz CLWZHEQMSWSEQZ-NVXWUHKLSA-N 0 0 344.415 0.657 10 0 ECAERN COc1ncccc1C(=O)N1CCN(c2ccc3nncn3n2)CC1 ZINC000136388119 436930657 /nfs/dbraw/zinc/93/06/57/436930657.db2.gz OYBYFYRXUYVKLQ-UHFFFAOYSA-N 0 0 339.359 0.490 10 0 ECAERN COc1cccc(F)c1C(=O)N1CCO[C@@H](C[N@H+](C)CC(=O)[O-])C1 ZINC000262927502 436945183 /nfs/dbraw/zinc/94/51/83/436945183.db2.gz SIKGPPKOZHPUJG-NSHDSACASA-N 0 0 340.351 0.692 10 0 ECAERN O=C(CNC(=O)[C@H]1CNC(=O)C1)Nc1ccc(-n2cccn2)cc1 ZINC000170637066 436947878 /nfs/dbraw/zinc/94/78/78/436947878.db2.gz AKIYOTIBUHMLRF-LLVKDONJSA-N 0 0 327.344 0.063 10 0 ECAERN O=C(Cn1cc(NC(=O)[C@H]2CC(F)(F)CN2)cn1)NC1CCCC1 ZINC000263012178 436948253 /nfs/dbraw/zinc/94/82/53/436948253.db2.gz PWPRSSODLOSJIA-GFCCVEGCSA-N 0 0 341.362 0.878 10 0 ECAERN COc1nnccc1NC(=O)NC1CC([N@@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263014116 436949539 /nfs/dbraw/zinc/94/95/39/436949539.db2.gz HZVPTHMNTRCTAO-UHFFFAOYSA-N 0 0 349.391 0.934 10 0 ECAERN CCn1cc([C@H]2CN(S(=O)(=O)c3c(C)onc3N)CCO2)cn1 ZINC000281307919 436961557 /nfs/dbraw/zinc/96/15/57/436961557.db2.gz ZSLGUACRYDZFEM-LLVKDONJSA-N 0 0 341.393 0.544 10 0 ECAERN O=C(c1cn(Cc2ccccc2)nn1)N1CC[C@@H](N2CCOCC2)C1 ZINC000172754024 437027360 /nfs/dbraw/zinc/02/73/60/437027360.db2.gz HDSYTVLECGXVPG-MRXNPFEDSA-N 0 0 341.415 0.873 10 0 ECAERN CCNC(=O)NC1(C(=O)N2CC[C@H](N3CCOCC3)C2)CCCC1 ZINC000172753089 437027446 /nfs/dbraw/zinc/02/74/46/437027446.db2.gz ICKZQAZBBXEZHP-AWEZNQCLSA-N 0 0 338.452 0.551 10 0 ECAERN Cc1nn(C)c2ncc(C(=O)N3CC[C@@H](N4CCOCC4)C3)cc12 ZINC000172747914 437027791 /nfs/dbraw/zinc/02/77/91/437027791.db2.gz YMAYQQOZEDIYFA-CQSZACIVSA-N 0 0 329.404 0.823 10 0 ECAERN O=C(Cc1ccc(-n2cnnn2)cc1)N1CC[C@H](N2CCOCC2)C1 ZINC000172756940 437028948 /nfs/dbraw/zinc/02/89/48/437028948.db2.gz MFXKADTVPKFECB-INIZCTEOSA-N 0 0 342.403 0.138 10 0 ECAERN CCN(CC)C(=O)CCCC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000172759277 437029815 /nfs/dbraw/zinc/02/98/15/437029815.db2.gz IVJGSTVHMPVHTO-OAHLLOKOSA-N 0 0 325.453 0.958 10 0 ECAERN CN1CCO[C@@H](CNC(=O)NCCOc2ccc(F)cc2F)C1 ZINC000171735138 436986851 /nfs/dbraw/zinc/98/68/51/436986851.db2.gz SOKIVFNVGWFTHK-LBPRGKRZSA-N 0 0 329.347 0.973 10 0 ECAERN CCOCCOCC(=O)N1CCCN(Cc2noc(C)n2)CC1 ZINC000171863810 436990530 /nfs/dbraw/zinc/99/05/30/436990530.db2.gz NXQCAICMEDJSMU-UHFFFAOYSA-N 0 0 326.397 0.465 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)NCCC(=O)N[C@H](C)CC)CC2 ZINC000172312678 437009578 /nfs/dbraw/zinc/00/95/78/437009578.db2.gz NPSBIXBBXMKDIN-VXGBXAGGSA-N 0 0 336.440 0.759 10 0 ECAERN CNc1cc(N2CCC[C@@H]2CNC(=O)CCn2cccn2)ncn1 ZINC000173435625 437050263 /nfs/dbraw/zinc/05/02/63/437050263.db2.gz PWNKISBNHZJQQR-CYBMUJFWSA-N 0 0 329.408 0.890 10 0 ECAERN Cc1nc(C[C@H]2CCCN(C(=O)C(C)(C)NS(C)(=O)=O)C2)no1 ZINC000173517300 437055081 /nfs/dbraw/zinc/05/50/81/437055081.db2.gz YVHNXZUBMDGQDL-LLVKDONJSA-N 0 0 344.437 0.487 10 0 ECAERN CC(C)c1nc([C@@H]2CCCN2C(=O)[C@@H](C)NS(C)(=O)=O)no1 ZINC000173754029 437062388 /nfs/dbraw/zinc/06/23/88/437062388.db2.gz WZVFWVCOHPXHSS-ZJUUUORDSA-N 0 0 330.410 0.794 10 0 ECAERN CCCCN(C)S(=O)(=O)N1CCCN(Cc2noc(C)n2)CC1 ZINC000173824821 437066548 /nfs/dbraw/zinc/06/65/48/437066548.db2.gz YZEIQVCKGQQOCN-UHFFFAOYSA-N 0 0 345.469 0.862 10 0 ECAERN Cc1cc(N2CCC[C@H](NC(=O)c3nccnc3N)C2=O)n(C)n1 ZINC000174986490 437092213 /nfs/dbraw/zinc/09/22/13/437092213.db2.gz HZYNUAXZUSLIEH-JTQLQIEISA-N 0 0 329.364 0.026 10 0 ECAERN CCCC(=O)NCC(=O)N[C@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000175010339 437092717 /nfs/dbraw/zinc/09/27/17/437092717.db2.gz MFWHWLARDJDRKF-LBPRGKRZSA-N 0 0 335.408 0.256 10 0 ECAERN COC[C@H](C)CNC(=O)N1CCCN(Cc2noc(C)n2)CC1 ZINC000175097572 437095862 /nfs/dbraw/zinc/09/58/62/437095862.db2.gz QCOOURGSLIQZAC-GFCCVEGCSA-N 0 0 325.413 0.878 10 0 ECAERN C[C@H]1CN(C(=O)NCc2ccc(C(N)=O)cc2)C[C@H]1N1CCOCC1 ZINC000175677042 437111402 /nfs/dbraw/zinc/11/14/02/437111402.db2.gz HNGUJTFXAILHGI-XJKSGUPXSA-N 0 0 346.431 0.648 10 0 ECAERN COCc1cc(N2CCC([N@@H+]3CCO[C@H](C)C3)CC2)n2ncnc2n1 ZINC000301088562 437111822 /nfs/dbraw/zinc/11/18/22/437111822.db2.gz MQBHWVCZTRZWBL-CYBMUJFWSA-N 0 0 346.435 0.960 10 0 ECAERN CC(C)C(=O)NCCNC(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000175627143 437110523 /nfs/dbraw/zinc/11/05/23/437110523.db2.gz KMDAWMUWKSQHFU-KBPBESRZSA-N 0 0 326.441 0.121 10 0 ECAERN CNC(=O)[C@@H]1CCCN1C(=O)Nc1cc(-n2cnnn2)ccc1F ZINC000176435045 437143911 /nfs/dbraw/zinc/14/39/11/437143911.db2.gz REWYJZDCDZYQNO-LBPRGKRZSA-N 0 0 333.327 0.544 10 0 ECAERN CC(C)CS(=O)(=O)CC(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000176453449 437145086 /nfs/dbraw/zinc/14/50/86/437145086.db2.gz HJARBHMMDIOPHY-CQSZACIVSA-N 0 0 348.509 0.608 10 0 ECAERN CC[C@H]1CN(C(=O)NCc2ccc(C(N)=O)o2)CC[N@@H+]1CCOC ZINC000176638199 437150368 /nfs/dbraw/zinc/15/03/68/437150368.db2.gz LRAUZRFJSCHDPQ-LBPRGKRZSA-N 0 0 338.408 0.631 10 0 ECAERN C[C@@H](CS(C)(=O)=O)C(=O)N(C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000176867191 437159493 /nfs/dbraw/zinc/15/94/93/437159493.db2.gz LJULJCQIRGIJIL-QWHCGFSZSA-N 0 0 340.449 0.585 10 0 ECAERN COc1cncc(N2CCN(c3ncc(C(N)=O)cc3Cl)CC2)n1 ZINC000301265794 437118389 /nfs/dbraw/zinc/11/83/89/437118389.db2.gz GLJOMSDXFVZKMW-UHFFFAOYSA-N 0 0 348.794 0.959 10 0 ECAERN NC(=O)c1cncc(N2C[C@@H]3OCCN(Cc4ccccc4)[C@H]3C2)n1 ZINC000301617289 437129265 /nfs/dbraw/zinc/12/92/65/437129265.db2.gz CJMIEERYBJHSMT-HOTGVXAUSA-N 0 0 339.399 0.665 10 0 ECAERN O=C(CCc1ccccc1)N1CCCN(C(=O)[C@@H]2CNC(=O)C2)CC1 ZINC000176274953 437140423 /nfs/dbraw/zinc/14/04/23/437140423.db2.gz UAHDRUHWLPMRLF-INIZCTEOSA-N 0 0 343.427 0.816 10 0 ECAERN Cc1ccc(C(N)=O)cc1NC(=O)C(=O)N1CCN2CCCC[C@@H]2C1 ZINC000177389547 437180516 /nfs/dbraw/zinc/18/05/16/437180516.db2.gz CXWKLSKXBXTPBZ-CQSZACIVSA-N 0 0 344.415 0.729 10 0 ECAERN O=C(Nc1cccc(F)c1)C(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000177652171 437193974 /nfs/dbraw/zinc/19/39/74/437193974.db2.gz JKTQHRDPTNJSGO-AWEZNQCLSA-N 0 0 332.335 0.888 10 0 ECAERN C[C@H](c1nc(Cc2ccccc2)no1)S(=O)(=O)C[C@@H](O)CO ZINC000177672089 437194893 /nfs/dbraw/zinc/19/48/93/437194893.db2.gz ICHWYQPXADUURZ-PWSUYJOCSA-N 0 0 326.374 0.489 10 0 ECAERN O=C([C@@H]1CC(=O)N(c2cn[nH]c2)C1)N1CCC(Cn2cccn2)CC1 ZINC000178261680 437210800 /nfs/dbraw/zinc/21/08/00/437210800.db2.gz MXEHYPCAWQPNRC-CQSZACIVSA-N 0 0 342.403 0.898 10 0 ECAERN O=S(=O)(CC1CCOCC1)N1CCC[C@@H](Cn2cncn2)C1 ZINC000180971780 437307511 /nfs/dbraw/zinc/30/75/11/437307511.db2.gz FVUKUSNCHBDXDR-AWEZNQCLSA-N 0 0 328.438 0.747 10 0 ECAERN Cc1nnc([C@@H]2CN(C(=O)C(=O)Nc3ccccc3F)CCO2)[nH]1 ZINC000180227279 437282245 /nfs/dbraw/zinc/28/22/45/437282245.db2.gz JURPRXPJZMFHKR-LBPRGKRZSA-N 0 0 333.323 0.791 10 0 ECAERN CCOC(=O)C[C@@H](NC(=O)Cn1ncn(C)c1=O)c1ccccc1C ZINC000182270272 437343641 /nfs/dbraw/zinc/34/36/41/437343641.db2.gz HDPXQVXLTKXNEN-CQSZACIVSA-N 0 0 346.387 0.701 10 0 ECAERN NC(=O)[C@H]1COCCN1C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000182333980 437345448 /nfs/dbraw/zinc/34/54/48/437345448.db2.gz LDOVAJUWVDAEAK-ZYHUDNBSSA-N 0 0 348.321 0.631 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)N[C@@H](C)CN2CCCC2=O)CC1 ZINC000184921111 437419212 /nfs/dbraw/zinc/41/92/12/437419212.db2.gz HXXHSFDNOPTSBV-UONOGXRCSA-N 0 0 326.441 0.095 10 0 ECAERN Cc1cccc(N2CCN(C(=O)CN3C[C@@H](O)C[C@@H]3CO)CC2)c1 ZINC000185145198 437426579 /nfs/dbraw/zinc/42/65/79/437426579.db2.gz GHVMLWQYTNRTTO-SJORKVTESA-N 0 0 333.432 0.071 10 0 ECAERN CCCCCc1nnc(NC(=O)CN2C[C@@H](O)C[C@@H]2CO)s1 ZINC000185132363 437428339 /nfs/dbraw/zinc/42/83/39/437428339.db2.gz NDACRLAWYPCSMU-MNOVXSKESA-N 0 0 328.438 0.637 10 0 ECAERN COCC(=O)NC1CN(C(=O)c2cc(C)n(-c3ccc(F)cc3)n2)C1 ZINC000186318479 437470334 /nfs/dbraw/zinc/47/03/34/437470334.db2.gz XYDQYZGRUFGUEO-UHFFFAOYSA-N 0 0 346.362 0.907 10 0 ECAERN COCC(=O)NC1CN(C(=O)Cc2csc(-c3cccnc3)n2)C1 ZINC000185272108 437432279 /nfs/dbraw/zinc/43/22/79/437432279.db2.gz QIVQUHSIWODWAA-UHFFFAOYSA-N 0 0 346.412 0.721 10 0 ECAERN O=C(N[C@@H]1CCCn2ncnc21)C(=O)N1CCc2c1cccc2F ZINC000185747387 437448730 /nfs/dbraw/zinc/44/87/30/437448730.db2.gz XBZBIFZREBVMRN-GFCCVEGCSA-N 0 0 329.335 0.958 10 0 ECAERN O=C(C(=O)N1CCc2c1cccc2F)N1CC[C@@H](N2CCOCC2)C1 ZINC000185698778 437448836 /nfs/dbraw/zinc/44/88/36/437448836.db2.gz NTZJERPSPMDLTJ-CYBMUJFWSA-N 0 0 347.390 0.648 10 0 ECAERN Cc1c(NC(=O)C(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)cnn1C ZINC000186297454 437468672 /nfs/dbraw/zinc/46/86/72/437468672.db2.gz JRSWWFGFWQFACB-STQMWFEESA-N 0 0 348.428 0.963 10 0 ECAERN C[C@@H]1CN(C(=O)[C@@H]2CC(c3cccnc3)=NO2)C[C@@H]1N1CCOCC1 ZINC000188422058 437549314 /nfs/dbraw/zinc/54/93/14/437549314.db2.gz OSCZQYDTTPXXLW-COXVUDFISA-N 0 0 344.415 0.754 10 0 ECAERN Cc1ccn2c(c1)ncc(C(=O)N1CC(NC(=O)C3CCC3)C1)c2=O ZINC000188510678 437554375 /nfs/dbraw/zinc/55/43/75/437554375.db2.gz YSVRMMLPZBKNHI-UHFFFAOYSA-N 0 0 340.383 0.744 10 0 ECAERN CS(=O)(=O)c1ccccc1C(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188746747 437568691 /nfs/dbraw/zinc/56/86/91/437568691.db2.gz KVGRVRAJBITUOH-UHFFFAOYSA-N 0 0 336.413 0.831 10 0 ECAERN Cc1cc(C(=O)N2CC(NC(=O)C3CCC3)C2)c2c(=O)[nH]n(C)c2n1 ZINC000189220995 437588511 /nfs/dbraw/zinc/58/85/11/437588511.db2.gz JJOLADGOVXWXHQ-UHFFFAOYSA-N 0 0 343.387 0.311 10 0 ECAERN COCC(=O)NC1CN(C(=O)C[C@@H](O)c2ccc(Cl)cc2)C1 ZINC000189200869 437588808 /nfs/dbraw/zinc/58/88/08/437588808.db2.gz MOEHJWUFOUAXTB-CYBMUJFWSA-N 0 0 326.780 0.737 10 0 ECAERN CC(C)(C)n1nccc1NC(=O)NC[C@H](O)CN1CCOCC1 ZINC000190609479 437632602 /nfs/dbraw/zinc/63/26/02/437632602.db2.gz WOUQEPSVMCEJJX-LBPRGKRZSA-N 0 0 325.413 0.453 10 0 ECAERN C[C@H]1OCCC[C@H]1C(=O)N1CCN(c2ncccc2C(N)=O)CC1 ZINC000190716831 437635195 /nfs/dbraw/zinc/63/51/95/437635195.db2.gz OLGVHCRDSFWZNB-CHWSQXEVSA-N 0 0 332.404 0.644 10 0 ECAERN C[C@@H]1CN(C(=O)c2cc(Br)nn2C)CCS1(=O)=O ZINC000192127398 437668167 /nfs/dbraw/zinc/66/81/67/437668167.db2.gz YUSSNRFWHQOQJE-SSDOTTSWSA-N 0 0 336.211 0.442 10 0 ECAERN C[C@@H](O)CN1CCN(CCS(=O)(=O)c2ccc(F)cc2)C[C@H]1C ZINC000192574954 437683668 /nfs/dbraw/zinc/68/36/68/437683668.db2.gz GXVYJEJWRVNJKM-ZIAGYGMSSA-N 0 0 344.452 0.986 10 0 ECAERN Cc1nc2ccccc2n1CC(=O)NC[C@@H](O)CN1CCOCC1 ZINC000192575434 437683757 /nfs/dbraw/zinc/68/37/57/437683757.db2.gz GRGLNFFXWSFZSB-CQSZACIVSA-N 0 0 332.404 0.154 10 0 ECAERN Cc1n[nH]c(C)c1CC(=O)N1CC[C@@]2(C1)NC(=O)N(C(C)C)C2=O ZINC000366718163 438118308 /nfs/dbraw/zinc/11/83/08/438118308.db2.gz LFKJBYVTEHZIJD-INIZCTEOSA-N 0 0 333.392 0.500 10 0 ECAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1ccc(N2CCCCC2)nc1 ZINC000373387113 438148664 /nfs/dbraw/zinc/14/86/64/438148664.db2.gz JLSPNOOSZNOHGO-HUUCEWRRSA-N 0 0 332.404 0.992 10 0 ECAERN O=C(CCc1c[nH]cn1)N1CC[C@@H](Nc2ccc3nccn3n2)C1 ZINC000373579766 438162513 /nfs/dbraw/zinc/16/25/13/438162513.db2.gz UXDRLIHSTBGACI-CYBMUJFWSA-N 0 0 325.376 1.098 10 0 ECAERN CNc1ccc(C(=O)N2CC[C@@H](N(C)Cc3noc(C)n3)C2)cn1 ZINC000367689887 438239564 /nfs/dbraw/zinc/23/95/64/438239564.db2.gz QKXWAWBDVUIULW-CYBMUJFWSA-N 0 0 330.392 1.161 10 0 ECAERN CN1C(=O)CO[C@H](C(=O)N2C[C@@H](O)C(C)(C)C2)[C@H]1c1ccccc1 ZINC000368456344 438333850 /nfs/dbraw/zinc/33/38/50/438333850.db2.gz ZKLSFAKRRLUQMM-BMFZPTHFSA-N 0 0 332.400 0.814 10 0 ECAERN CSCC[C@@H](O)C(=O)N1CC[C@@H](Nc2ccc3nccn3n2)C1 ZINC000580801607 439131059 /nfs/dbraw/zinc/13/10/59/439131059.db2.gz QGLGEUIXVVUEMJ-VXGBXAGGSA-N 0 0 335.433 0.856 10 0 ECAERN CO[C@H]1C[C@@H](CO)N(c2ncnc3c2c(Br)nn3C)C1 ZINC000583616268 439486310 /nfs/dbraw/zinc/48/63/10/439486310.db2.gz KEFCSSDJFULWLN-YUMQZZPRSA-N 0 0 342.197 0.712 10 0 ECAERN O[C@]1(c2cn[nH]n2)CCCN(Cc2nncn2-c2ccccc2)C1 ZINC000583617911 439489579 /nfs/dbraw/zinc/48/95/79/439489579.db2.gz IVIOSLNNVMEWIC-MRXNPFEDSA-N 0 0 325.376 0.869 10 0 ECAERN CN(C)C(=O)[C@@]1(N2CCN(C(=O)OC(C)(C)C)CC2)CCOC1 ZINC000536955313 439541804 /nfs/dbraw/zinc/54/18/04/439541804.db2.gz RCYKXAPKQCMEJI-MRXNPFEDSA-N 0 0 327.425 0.786 10 0 ECAERN Cn1ccnc1[C@@H]1OCCC[C@H]1C(=O)N1CC(=O)N(CC2CC2)C1 ZINC000614199076 439772042 /nfs/dbraw/zinc/77/20/42/439772042.db2.gz NRRPRJCZXFYRMV-UKRRQHHQSA-N 0 0 332.404 0.926 10 0 ECAERN O=C(N[C@H]1C[C@@H](O)[C@@H]1n1cccn1)c1ccnc(N2CCCC2)n1 ZINC000616771787 439822133 /nfs/dbraw/zinc/82/21/33/439822133.db2.gz AVVYRGOEOUGHJK-BFHYXJOUSA-N 0 0 328.376 0.378 10 0 ECAERN Cc1nn(C)c2ncc(C(=O)N[C@@H]3C[C@H](O)[C@H]3n3cccn3)cc12 ZINC000616769079 439822182 /nfs/dbraw/zinc/82/21/82/439822182.db2.gz XZPZJWXZIQTDDC-RDBSUJKOSA-N 0 0 326.360 0.578 10 0 ECAERN CCN1CCO[C@@H](CNC(=O)c2cn(C)cn2)[C@@H]1c1cnn(C)c1 ZINC000618144810 440060439 /nfs/dbraw/zinc/06/04/39/440060439.db2.gz QMQOWYHYFWABSX-GJZGRUSLSA-N 0 0 332.408 0.345 10 0 ECAERN CN(C)C(=O)C[C@@]1(O)CCCN(c2nccc(-c3cnccn3)n2)C1 ZINC000643718009 440280856 /nfs/dbraw/zinc/28/08/56/440280856.db2.gz NVFJYKQFIGRGEE-KRWDZBQOSA-N 0 0 342.403 0.743 10 0 ECAERN CCn1cc(O[C@@H]2CN(Cc3cnn(CCOC)c3)C[C@H]2O)cn1 ZINC000628375737 440457915 /nfs/dbraw/zinc/45/79/15/440457915.db2.gz WJFJFLVTDCVMJL-HZPDHXFCSA-N 0 0 335.408 0.370 10 0 ECAERN Cc1ccn2cc(CNC(=O)CN3CCCC[C@@H](O)C3=O)nc2c1 ZINC000644324860 440527453 /nfs/dbraw/zinc/52/74/53/440527453.db2.gz VJGDIKCOTAVIRB-CQSZACIVSA-N 0 0 330.388 0.632 10 0 ECAERN CO[C@@H]1CN(S(=O)(=O)Cc2ccc(F)cc2)C[C@H]1c1cn[nH]n1 ZINC000657144631 440971232 /nfs/dbraw/zinc/97/12/32/440971232.db2.gz OTJDKXQHSKAPIO-GXTWGEPZSA-N 0 0 340.380 0.888 10 0 ECAERN O=S(=O)(N[C@H]1C[C@@H](O)[C@@H]1n1cccn1)c1ccc2c(c1)CCCO2 ZINC000657026315 440923757 /nfs/dbraw/zinc/92/37/57/440923757.db2.gz SJWDCUFMVMCNPW-SQWLQELKSA-N 0 0 349.412 0.861 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)NCc2ccn3ccnc3c2)CC1 ZINC000182000917 320528772 /nfs/dbraw/zinc/52/87/72/320528772.db2.gz NKQIKCGVVGHYFC-OAHLLOKOSA-N 0 0 331.420 0.932 10 0 ECAERN CC[C@@H](C)NC(=O)CCNC(=O)N1CCN(C[C@@H](O)CC)CC1 ZINC000184914838 320535098 /nfs/dbraw/zinc/53/50/98/320535098.db2.gz VHBIBURXOHBEIU-KGLIPLIRSA-N 0 0 328.457 0.389 10 0 ECAERN Cn1nccc1[C@H]1[C@@H](C(=O)N2CC[C@@]3(CCOC3)C2)CC(=O)N1C ZINC000328930125 320742490 /nfs/dbraw/zinc/74/24/90/320742490.db2.gz YYIPXOKNDBEVOG-XGWLTEMNSA-N 0 0 332.404 0.579 10 0 ECAERN CN(C(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1ccccc1)c1nccn1C ZINC000328981408 320746060 /nfs/dbraw/zinc/74/60/60/320746060.db2.gz DQUWCIDVKNLGPO-LSDHHAIUSA-N 0 0 328.372 0.981 10 0 ECAERN C[C@H](C(=O)N1CCc2c(nnn2-c2ccccc2)C1)N1CCOCC1 ZINC000329356844 320767819 /nfs/dbraw/zinc/76/78/19/320767819.db2.gz HEBHDINLVSBKNC-CQSZACIVSA-N 0 0 341.415 0.873 10 0 ECAERN CCCN1CCCN(C(=O)Cn2ncc(=O)c3ccccc32)CC1=O ZINC000329922707 320795919 /nfs/dbraw/zinc/79/59/19/320795919.db2.gz GOXIJBMHOFCFFQ-UHFFFAOYSA-N 0 0 342.399 0.867 10 0 ECAERN Cn1cnc2c(c1=O)CCN(C(=O)[C@H]1CC(=O)N(C3CCCC3)C1)C2 ZINC000330062575 320802707 /nfs/dbraw/zinc/80/27/07/320802707.db2.gz PIFCYSBZNMHMKB-LBPRGKRZSA-N 0 0 344.415 0.456 10 0 ECAERN Cc1cc(N2CCC[C@H](NC(=O)Nc3cnn(C)c3)C2=O)n(C)n1 ZINC000174652183 533895282 /nfs/dbraw/zinc/89/52/82/533895282.db2.gz JHQOZVRPZNDHPM-LBPRGKRZSA-N 0 0 331.380 0.779 10 0 ECAERN C[C@H]1CN([C@@H](CNC(=O)Cn2cnnn2)c2cccs2)CCO1 ZINC000177976282 533974737 /nfs/dbraw/zinc/97/47/37/533974737.db2.gz DODWXYPVQVEIFW-RYUDHWBXSA-N 0 0 336.421 0.313 10 0 ECAERN Cc1ccc(CS(=O)(=O)NC[C@H](O)CN2CCOCC2)cc1F ZINC000184203682 534101227 /nfs/dbraw/zinc/10/12/27/534101227.db2.gz UYIUDPLTKZINBW-AWEZNQCLSA-N 0 0 346.424 0.247 10 0 ECAERN Cc1cc2ncn(C[C@H](O)CN3CCOC[C@@H]3C(N)=O)c2cc1C ZINC000179732228 534137633 /nfs/dbraw/zinc/13/76/33/534137633.db2.gz XIQSAQMRFOZGEU-CZUORRHYSA-N 0 0 332.404 0.200 10 0 ECAERN NC(=O)c1csc(NC(=O)CN2CCN(c3ccccn3)CC2)n1 ZINC000173742031 534524183 /nfs/dbraw/zinc/52/41/83/534524183.db2.gz RADWFJPIGDLRKO-UHFFFAOYSA-N 0 0 346.416 0.398 10 0 ECAERN O=C(CN1CSCC1=O)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000187713058 534553062 /nfs/dbraw/zinc/55/30/62/534553062.db2.gz FMCWPZBZSYXWPP-RYUDHWBXSA-N 0 0 326.443 0.815 10 0 ECAERN CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CC(NC(C)=O)C1 ZINC000190488858 526844250 /nfs/dbraw/zinc/84/42/50/526844250.db2.gz YFVYFTSUWIVHFJ-KRWDZBQOSA-N 0 0 342.399 0.562 10 0 ECAERN CCN(CC)c1ccc(C(=O)NC[C@H](O)CN2CCOCC2)cc1 ZINC000154113092 528296230 /nfs/dbraw/zinc/29/62/30/528296230.db2.gz IXSLPCVKDHEMCD-KRWDZBQOSA-N 0 0 335.448 0.956 10 0 ECAERN CCCCN1CCOC[C@@H]1C(=O)N[C@@H](C)C(=O)NCc1ccco1 ZINC000184333908 528477380 /nfs/dbraw/zinc/47/73/80/528477380.db2.gz AUQPHGVKMQDWEV-DZGCQCFKSA-N 0 0 337.420 0.901 10 0 ECAERN CCN1CCCN(C(=O)[C@@H](Cc2ccccc2)NC(N)=O)CC1=O ZINC000190491462 529033691 /nfs/dbraw/zinc/03/36/91/529033691.db2.gz MCQIDRYJQCNVTJ-CQSZACIVSA-N 0 0 332.404 0.347 10 0 ECAERN CC(C)[C@H](NC(=O)C(=O)Nc1c[nH]nc1-c1ccccc1)C(N)=O ZINC000189544540 529075832 /nfs/dbraw/zinc/07/58/32/529075832.db2.gz FKEDRUOSSJSFCD-LBPRGKRZSA-N 0 0 329.360 0.641 10 0 ECAERN O=C(COc1cccc(Cl)c1)NCCn1c(=O)[nH]c2cncnc21 ZINC000065256884 545675113 /nfs/dbraw/zinc/67/51/13/545675113.db2.gz ZEFDILBKZDHNMR-UHFFFAOYSA-N 0 0 347.762 0.968 10 0 ECAERN Cn1ncc(N2CCC[C@H](C(=O)NCc3ccncc3)C2)cc1=O ZINC000065313691 545676255 /nfs/dbraw/zinc/67/62/55/545676255.db2.gz JFVMCIPBPWELNQ-AWEZNQCLSA-N 0 0 327.388 0.708 10 0 ECAERN COc1ccc(C)cc1S(=O)(=O)N(C)C[C@H]1CN(C)CCO1 ZINC000074774977 545684595 /nfs/dbraw/zinc/68/45/95/545684595.db2.gz ZOVLYVUBONLFOJ-CYBMUJFWSA-N 0 0 328.434 0.955 10 0 ECAERN O=C(NC[C@H](O)CN1CCOCC1)c1cnc(-c2ccccc2)nc1 ZINC000128090965 545778385 /nfs/dbraw/zinc/77/83/85/545778385.db2.gz CFCRATSRBWESBI-INIZCTEOSA-N 0 0 342.399 0.567 10 0 ECAERN Cn1cc([C@@H]2CCN(C(=O)C(=O)Nc3cnn(CC4CC4)c3)C2)cn1 ZINC000177937640 545875911 /nfs/dbraw/zinc/87/59/11/545875911.db2.gz MZMFQJQAAKGHHQ-CYBMUJFWSA-N 0 0 342.403 0.981 10 0 ECAERN Cc1c(NC(=O)C(=O)NC[C@H](C)N2CCOCC2)cccc1N(C)C ZINC000180406584 545884283 /nfs/dbraw/zinc/88/42/83/545884283.db2.gz PVOLFJWAJQUMOY-ZDUSSCGKSA-N 0 0 348.447 0.836 10 0 ECAERN Cc1ccc([C@H](C)NCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1F ZINC000181348936 545886029 /nfs/dbraw/zinc/88/60/29/545886029.db2.gz RLOWKTFTDYLPRG-JTQLQIEISA-N 0 0 348.378 0.647 10 0 ECAERN COc1ccc2c(c1)OC[C@H](C(=O)N1CC(NC(=O)C3CC3)C1)C2 ZINC000189483524 545905626 /nfs/dbraw/zinc/90/56/26/545905626.db2.gz QJGBQMWHXXAGGF-CYBMUJFWSA-N 0 0 330.384 0.983 10 0 ECAERN CC(C)[C@H](NC(=O)C(=O)Nc1cc(C(F)(F)F)ccn1)C(N)=O ZINC000194121280 545912346 /nfs/dbraw/zinc/91/23/46/545912346.db2.gz GYHYOAMJNFVXGG-VIFPVBQESA-N 0 0 332.282 0.665 10 0 ECAERN C[C@H](N[C@H](CO)c1ccccc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000245878318 545937352 /nfs/dbraw/zinc/93/73/52/545937352.db2.gz MYIBCZZEYWEWHK-IACUBPJLSA-N 0 0 326.418 0.001 10 0 ECAERN Cc1cnn(C[C@@H]2CN(S(=O)(=O)CC[C@H]3CCCO3)CCO2)c1 ZINC000245975117 545938039 /nfs/dbraw/zinc/93/80/39/545938039.db2.gz BQTROWYAWYRMKD-HUUCEWRRSA-N 0 0 343.449 0.791 10 0 ECAERN CCn1nccc1[C@@H]1OCCC[C@H]1CN1CC(NC(=O)COC)C1 ZINC000668233443 547607017 /nfs/dbraw/zinc/60/70/17/547607017.db2.gz YRERWUSFZHOUGY-SUMWQHHRSA-N 0 0 336.436 0.818 10 0 ECAERN Cc1ccn2cc(C(=O)N3CC[C@](O)(Cn4ccnn4)C3)nc2c1 ZINC000671500097 548163184 /nfs/dbraw/zinc/16/31/84/548163184.db2.gz RFSNCXPQPLQFFQ-MRXNPFEDSA-N 0 0 326.360 0.511 10 0 ECAERN CC(C)(C)OC(=O)N1CCC[C@@]2(CC(=O)O[C@@H]2CS(N)(=O)=O)C1 ZINC000757228207 579460217 /nfs/dbraw/zinc/46/02/17/579460217.db2.gz WZWMOGGJLZJRBU-QMTHXVAHSA-N 0 0 348.421 0.608 10 0 ECAERN Cn1ccnc1[C@@H]1NC(=O)CC[C@H]1NC(=O)c1cn2ccccc2n1 ZINC000888076902 586245765 /nfs/dbraw/zinc/24/57/65/586245765.db2.gz WTDNRXQHQRMUSY-IAQYHMDHSA-N 0 0 338.371 0.818 10 0 ECAERN O=C(c1cn([C@@H]2COC[C@H]2O)nn1)N1CCCc2ccccc2C1 ZINC000888093663 586348818 /nfs/dbraw/zinc/34/88/18/586348818.db2.gz NCDAXRBQFHQGRR-HZPDHXFCSA-N 0 0 328.372 0.799 10 0 ECAERN CCn1nc(C)c(CNC(=O)c2coc(CN3CC[C@H](OC)C3)n2)n1 ZINC000888095610 586349656 /nfs/dbraw/zinc/34/96/56/586349656.db2.gz UIILUXCLXNKJAW-LBPRGKRZSA-N 0 0 348.407 0.745 10 0 ECAERN O=C1C[C@H](c2nc(C3CC3)no2)CN1C1CN(Cc2cn[nH]c2)C1 ZINC000888098171 586349976 /nfs/dbraw/zinc/34/99/76/586349976.db2.gz AVBRWXXSBJPLKT-LBPRGKRZSA-N 0 0 328.376 0.870 10 0 ECAERN CNC(=O)[C@H]1CC(=O)N(C2CN(C(=O)c3occ4c3CCCC4)C2)C1 ZINC000888098384 586349994 /nfs/dbraw/zinc/34/99/94/586349994.db2.gz JWHFJDXZBCBTES-LBPRGKRZSA-N 0 0 345.399 0.577 10 0 ECAERN CC(C)S(=O)(=O)CC(=O)N1CC[C@H](n2cc(C3CC3)nn2)C1 ZINC000899076644 586469494 /nfs/dbraw/zinc/46/94/94/586469494.db2.gz QZHCAYQIBJBBDD-LBPRGKRZSA-N 0 0 326.422 0.752 10 0 ECAERN CN1C(=O)CS/C1=C/C(=O)N1CC[C@@H](n2cc(C3CC3)nn2)C1 ZINC000899090400 586469894 /nfs/dbraw/zinc/46/98/94/586469894.db2.gz YOOZJMQLLZUIOA-OGEWLBHXSA-N 0 0 333.417 0.976 10 0 ECAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)CNC(=O)N3CCCC3)C2)n1 ZINC000900737839 586661287 /nfs/dbraw/zinc/66/12/87/586661287.db2.gz BBMFTHSPNRVRPF-HNNXBMFYSA-N 0 0 348.451 0.939 10 0 ECAERN COCCN1[C@H](C)CN(C(=O)[C@@H](C)NC(=O)c2ccco2)C[C@@H]1C ZINC000120910390 589722436 /nfs/dbraw/zinc/72/24/36/589722436.db2.gz FNUYPXJZFYXCJR-HZSPNIEDSA-N 0 0 337.420 0.966 10 0 ECAERN CCO[C@H]1C[C@@H](OC(=O)Cn2ccc(=O)n(C)c2=O)C12CCCC2 ZINC000119588066 590030329 /nfs/dbraw/zinc/03/03/29/590030329.db2.gz FFBOZMKSWXUVJF-QWHCGFSZSA-N 0 0 336.388 0.828 10 0 ECAERN Cn1ccnc1[C@H]1[C@H](NS(=O)(=O)C2CC2)CCC(=O)N1C1CC1 ZINC000886080477 590792961 /nfs/dbraw/zinc/79/29/61/590792961.db2.gz UCPMBYMDGGMYSU-TZMCWYRMSA-N 0 0 338.433 0.696 10 0 ECAERN O=c1n(CN2CCC(Nc3cccnn3)CC2)nc2ccccn21 ZINC000156467350 611444690 /nfs/dbraw/zinc/44/46/90/611444690.db2.gz YTRRNKZOHSJZAA-UHFFFAOYSA-N 0 0 325.376 0.820 10 0 ECAERN CCOCCN1CCN(C(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C[C@@H]1C ZINC000178250189 609021405 /nfs/dbraw/zinc/02/14/05/609021405.db2.gz LCGMLZDIGPQYFI-UONOGXRCSA-N 0 0 349.435 0.332 10 0 ECAERN O=C(CNC(=O)N1CCCC1)N1CCC[C@H]1Cn1cc(C2CC2)nn1 ZINC000908093028 609642983 /nfs/dbraw/zinc/64/29/83/609642983.db2.gz DYJCOQKTRIEDGA-AWEZNQCLSA-N 0 0 346.435 0.952 10 0 ECAERN CC(C)N1C(=O)CN(CN2CCC(Nc3cccnn3)CC2)C1=O ZINC000156473897 609698167 /nfs/dbraw/zinc/69/81/67/609698167.db2.gz WYTVFCBLUFOAOC-UHFFFAOYSA-N 0 0 332.408 0.983 10 0 ECAERN CN(Cc1ccco1)C(=O)CCc1nc2c([nH]1)n(C)c(=O)n(C)c2=O ZINC000222720976 609703437 /nfs/dbraw/zinc/70/34/37/609703437.db2.gz NGAHISNRIIVCQF-UHFFFAOYSA-N 0 0 345.359 0.145 10 0 ECAERN COCCCn1cnc2oc(C)c(C(=O)N3CCC(O)CC3)c2c1=O ZINC000222779911 609704672 /nfs/dbraw/zinc/70/46/72/609704672.db2.gz GEOZYNBLUMHJRB-UHFFFAOYSA-N 0 0 349.387 0.931 10 0 ECAERN CC(C)C[C@H]1Nc2ncnc(NCCN3CCOCC3)c2NC1=O ZINC000224012514 609716262 /nfs/dbraw/zinc/71/62/62/609716262.db2.gz JKJQJVFARIBFKJ-GFCCVEGCSA-N 0 0 334.424 0.999 10 0 ECAERN CCOC(=O)N1CCN(c2nc(C)nc3c2NC(=O)[C@@H](C)N3)CC1 ZINC000224023439 609716425 /nfs/dbraw/zinc/71/64/25/609716425.db2.gz NUNJCFSTGODKBA-SECBINFHSA-N 0 0 334.380 0.816 10 0 ECAERN Cc1nc(NCC(=O)N2CCOCC2)c2c(n1)N[C@H](C(C)C)C(=O)N2 ZINC000224029261 609716864 /nfs/dbraw/zinc/71/68/64/609716864.db2.gz FWZQDZZFRRMQNS-GFCCVEGCSA-N 0 0 348.407 0.444 10 0 ECAERN CC(=O)NC[C@@H]1CN(Cn2cnc3c2ncnc3NC(C)C)CCO1 ZINC000172169646 609768831 /nfs/dbraw/zinc/76/88/31/609768831.db2.gz LUJKIDQFRLCYJZ-CYBMUJFWSA-N 0 0 347.423 0.441 10 0 ECAERN C[C@]1(C2CC2)NC(=O)N(CN2CCO[C@H](Cn3cccn3)C2)C1=O ZINC000152832305 609882695 /nfs/dbraw/zinc/88/26/95/609882695.db2.gz ONHRFQPEUVVZNC-XJKSGUPXSA-N 0 0 333.392 0.262 10 0 ECAERN O=C(CN1CC[C@@H](c2ccccc2)NC1=O)N1CCOC[C@@H]1CO ZINC000912414847 609952648 /nfs/dbraw/zinc/95/26/48/609952648.db2.gz DQTBNWSXJQFCDE-GJZGRUSLSA-N 0 0 333.388 0.363 10 0 ECAERN O=C(c1ccc(=O)n(-c2ccccc2F)n1)N1CCOC[C@H]1CO ZINC000912419727 609957033 /nfs/dbraw/zinc/95/70/33/609957033.db2.gz WVVCIACFCVGLFX-LLVKDONJSA-N 0 0 333.319 0.205 10 0 ECAERN CC(C)S(=O)(=O)c1ccc(C(=O)N2CCOC[C@@H]2CO)cc1 ZINC000912423965 609957872 /nfs/dbraw/zinc/95/78/72/609957872.db2.gz ZLUDPHQRPQUZGS-ZDUSSCGKSA-N 0 0 327.402 0.702 10 0 ECAERN C[C@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC000912754263 610003686 /nfs/dbraw/zinc/00/36/86/610003686.db2.gz CWHZLANOJHDQJS-LPWJVIDDSA-N 0 0 328.409 0.898 10 0 ECAERN CN(C)[C@@H](C(=O)N1CC[C@H](n2cc(C3CC3)nn2)C1)c1cncn1C ZINC000912942427 610023172 /nfs/dbraw/zinc/02/31/72/610023172.db2.gz YVLINFWKHPBMQP-XJKSGUPXSA-N 0 0 343.435 0.965 10 0 ECAERN O=C(OCCn1cc(Br)ccc1=O)[C@H]1CNC(=O)C1 ZINC000181360222 610174088 /nfs/dbraw/zinc/17/40/88/610174088.db2.gz IHMXMFMALSFUGJ-MRVPVSSYSA-N 0 0 329.150 0.290 10 0 ECAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NCCc1ccnn1C ZINC000185812473 610954644 /nfs/dbraw/zinc/95/46/44/610954644.db2.gz SRUFWPKNKISTQU-ZDUSSCGKSA-N 0 0 328.438 0.283 10 0 ECAERN CC(C)n1ccnc1CS(=O)(=O)CC(=O)N1CCO[C@@H](C)C1 ZINC000195519979 612442947 /nfs/dbraw/zinc/44/29/47/612442947.db2.gz JZNPKXNJMANSQL-LBPRGKRZSA-N 0 0 329.422 0.626 10 0 ECAERN CC(C)(C)OC(=O)N1CC[C@H]1C(=O)NC[C@@H]1CCCS1(=O)=O ZINC000722675708 732519683 /nfs/dbraw/zinc/51/96/83/732519683.db2.gz IRAZOTSXRYNTSN-QWRGUYRKSA-N 0 0 332.422 0.689 10 0 ECAERN CO[C@@H]1C[C@@H](c2nnc(C)[nH]2)N([C@@H]2CCN(C3CCOCC3)C2=O)C1 ZINC000328934174 740412618 /nfs/dbraw/zinc/41/26/18/740412618.db2.gz IVISWWJBSCXXHO-KFWWJZLASA-N 0 0 349.435 0.655 10 0 ECAERN NC(=O)CN1CCN(Cc2cc(Cl)cc3c2OCOC3)CC1 ZINC000054977738 214262130 /nfs/dbraw/zinc/26/21/30/214262130.db2.gz RSRDUYBNLFVLIH-UHFFFAOYSA-N 0 0 325.796 0.809 10 0 ECAERN CS(=O)(=O)N1C[C@@H](NC(=O)c2ccncc2)[C@H]2OCCC[C@H]2C1 ZINC000097953487 219063717 /nfs/dbraw/zinc/06/37/17/219063717.db2.gz AWLFTBPXRQYDEE-MJBXVCDLSA-N 0 0 339.417 0.250 10 0 ECAERN CN1CC[C@H](NC(=O)N2CCN(C[C@@H](O)c3ccccc3)CC2)C1=O ZINC000163865394 529805422 /nfs/dbraw/zinc/80/54/22/529805422.db2.gz SWIAYJRDSPNFRQ-JKSUJKDBSA-N 0 0 346.431 0.278 10 0 ECAERN NC(=O)c1ccc(OCCC(=O)N[C@H]2CCCn3ncnc32)cc1 ZINC000177583016 231932890 /nfs/dbraw/zinc/93/28/90/231932890.db2.gz GCECCGZTCHQNQG-ZDUSSCGKSA-N 0 0 329.360 0.797 10 0 ECAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000177702893 231961896 /nfs/dbraw/zinc/96/18/96/231961896.db2.gz XSYREAXDCFSOGB-LLVKDONJSA-N 0 0 342.359 0.859 10 0 ECAERN CCCC(=O)N[C@@H]1CCCN(CC(=O)NC(=O)NCC(C)C)C1 ZINC000101565024 219139887 /nfs/dbraw/zinc/13/98/87/219139887.db2.gz MKMNAMXBWOTXKT-CYBMUJFWSA-N 0 0 326.441 0.849 10 0 ECAERN C[C@@H]1CN([C@@H](CNC(=O)[C@@H]2CCC(=O)N2)c2cccs2)CCO1 ZINC000177974767 232046206 /nfs/dbraw/zinc/04/62/06/232046206.db2.gz ZXMOVEWOKDCRSQ-AGIUHOORSA-N 0 0 337.445 0.905 10 0 ECAERN CC(=O)N[C@H]1CCCN(C(=O)Nc2cc(-n3cnnn3)ccc2F)C1 ZINC000102796189 219231348 /nfs/dbraw/zinc/23/13/48/219231348.db2.gz ZWZQDGWTNDQVSN-NSHDSACASA-N 0 0 347.354 0.934 10 0 ECAERN CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(N)cc1Br ZINC000042560569 213513703 /nfs/dbraw/zinc/51/37/03/213513703.db2.gz BERVVMFEUBYCIQ-ZCFIWIBFSA-N 0 0 336.211 0.444 10 0 ECAERN CCc1c(C(=O)NCC(C)C)c(N)nc2c1c(=O)n(C)c(=O)n2C ZINC000040570427 213352730 /nfs/dbraw/zinc/35/27/30/213352730.db2.gz FGMBYHCYUPCGEU-UHFFFAOYSA-N 0 0 333.392 0.163 10 0 ECAERN C[C@H](NC(=O)[C@@H]1CSC(=O)N1)c1ccc(S(N)(=O)=O)cc1 ZINC000040378482 213293448 /nfs/dbraw/zinc/29/34/48/213293448.db2.gz DXZSIVWCBACUEH-XVKPBYJWSA-N 0 0 329.403 0.336 10 0 ECAERN CS(=O)(=O)c1ccc(F)c(S(=O)(=O)NCc2cn[nH]c2)c1 ZINC000038007262 213188953 /nfs/dbraw/zinc/18/89/53/213188953.db2.gz OKQXUXGLZRKQKN-UHFFFAOYSA-N 0 0 333.366 0.431 10 0 ECAERN CN(C)C(=O)CNS(=O)(=O)c1c(N)cc(Cl)cc1Cl ZINC000037225182 213136768 /nfs/dbraw/zinc/13/67/68/213136768.db2.gz VGVHNXDPANEYNG-UHFFFAOYSA-N 0 0 326.205 0.942 10 0 ECAERN C[C@H](CNC(=O)c1cccc(CS(C)(=O)=O)c1)N1CCOCC1 ZINC000105994699 219605148 /nfs/dbraw/zinc/60/51/48/219605148.db2.gz VBOCOPVGDWMROV-CYBMUJFWSA-N 0 0 340.445 0.682 10 0 ECAERN CC(C)[C@H](NC(=O)C(C)(C)C)C(=O)N1C[C@H]2OCCN(C)[C@H]2C1 ZINC000355505114 299262219 /nfs/dbraw/zinc/26/22/19/299262219.db2.gz CPFHXYMTWXJSAU-MJBXVCDLSA-N 0 0 325.453 0.715 10 0 ECAERN O=S(=O)(N[C@@H]1CCCn2ncnc21)c1cnn(CC(F)F)c1 ZINC000187407631 236203117 /nfs/dbraw/zinc/20/31/17/236203117.db2.gz WRQJSNGNQHPTSH-SECBINFHSA-N 0 0 332.336 0.553 10 0 ECAERN O=C(Nc1cccc2cnccc21)C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000187980715 236369016 /nfs/dbraw/zinc/36/90/16/236369016.db2.gz HWUUFOGMJHKPQB-UHFFFAOYSA-N 0 0 338.367 0.910 10 0 ECAERN Cn1c(N)c(NC(=O)COc2ccc(Cl)cc2)c(=O)n(C)c1=O ZINC000033893199 212966626 /nfs/dbraw/zinc/96/66/26/212966626.db2.gz NQSWBHCESYNVMM-UHFFFAOYSA-N 0 0 338.751 0.337 10 0 ECAERN Cc1c(N)cc(S(=O)(=O)NCCS(C)(=O)=O)cc1Cl ZINC000037750199 213164164 /nfs/dbraw/zinc/16/41/64/213164164.db2.gz YFZYTCDGQMWPDP-UHFFFAOYSA-N 0 0 326.827 0.554 10 0 ECAERN O=C(Nc1ccccc1-n1ccnn1)C(=O)N[C@@H]1CCCC[C@@H]1CO ZINC000130586590 223163612 /nfs/dbraw/zinc/16/36/12/223163612.db2.gz CWGFMCBKIVDXAG-CHWSQXEVSA-N 0 0 343.387 0.873 10 0 ECAERN CCn1cc([C@H]2CN(C(=O)CNC(=O)c3cccnc3)CCO2)cn1 ZINC000191751940 239282480 /nfs/dbraw/zinc/28/24/80/239282480.db2.gz GZYMGTDPJDYJCS-OAHLLOKOSA-N 0 0 343.387 0.628 10 0 ECAERN CCCc1csc(NC(=O)C(=O)N2CC(NC(=O)C3CC3)C2)n1 ZINC000193482983 240181610 /nfs/dbraw/zinc/18/16/10/240181610.db2.gz FBXMTRZUQWESFU-UHFFFAOYSA-N 0 0 336.417 0.771 10 0 ECAERN CC(=O)N[C@H](Cc1ccc(O)c(I)c1)C(N)=O ZINC000022047444 212273241 /nfs/dbraw/zinc/27/32/41/212273241.db2.gz WEEJPQQOBNMRHS-SECBINFHSA-N 0 0 348.140 0.529 10 0 in-vitro ECAERN O=C(/C=C/c1ccc(Cl)nc1)NC[C@H](O)CN1CCOCC1 ZINC000133104803 223388396 /nfs/dbraw/zinc/38/83/96/223388396.db2.gz OKNQBVRDNWCMRU-OHVSUOQFSA-N 0 0 325.796 0.558 10 0 ECAERN C[C@H](O)CN1CCN(C(=O)Cn2cc(-c3ccccc3)nn2)C[C@H]1C ZINC000246337554 243233126 /nfs/dbraw/zinc/23/31/26/243233126.db2.gz HSILLLCNPGBERM-CABCVRRESA-N 0 0 343.431 0.859 10 0 ECAERN O=C(Cn1nnnc1CN1CCOCC1)N[C@H]1CCc2ccccc21 ZINC000019229533 212007352 /nfs/dbraw/zinc/00/73/52/212007352.db2.gz FRTNQMPZNQXTOD-HNNXBMFYSA-N 0 0 342.403 0.309 10 0 ECAERN Cc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1ncn(C)c1Cl ZINC000081073608 217357978 /nfs/dbraw/zinc/35/79/78/217357978.db2.gz GKQXOWAIMVVXGM-QMMMGPOBSA-N 0 0 330.801 0.787 10 0 ECAERN O=C(Nc1cnc2ccccc2c1)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000177628897 284392122 /nfs/dbraw/zinc/39/21/22/284392122.db2.gz DWPKUCWBYRXIOG-GFCCVEGCSA-N 0 0 336.355 0.896 10 0 ECAERN O=C(NCCCN1CCOCC1)N1CCO[C@@H](c2nccs2)C1 ZINC000111790546 220190493 /nfs/dbraw/zinc/19/04/93/220190493.db2.gz LVDVIDVDAZWDAB-CYBMUJFWSA-N 0 0 340.449 0.948 10 0 ECAERN Cc1cnn(C[C@@H]2CN(S(=O)(=O)c3c(C)noc3C)CCO2)c1 ZINC000112094201 220241207 /nfs/dbraw/zinc/24/12/07/220241207.db2.gz WOOCATFZYMVXRL-CYBMUJFWSA-N 0 0 340.405 0.886 10 0 ECAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)CNC(=O)OCC(F)(F)F ZINC000082976632 217508197 /nfs/dbraw/zinc/50/81/97/217508197.db2.gz XIUYRAOUYKPYQT-MRVPVSSYSA-N 0 0 335.286 0.826 10 0 ECAERN C[C@H](C(=O)N1CC(NC(=O)C2CC2)C1)n1nnc(-c2ccccc2)n1 ZINC000189365157 437592769 /nfs/dbraw/zinc/59/27/69/437592769.db2.gz UCHNCXJPJWQIKB-LLVKDONJSA-N 0 0 340.387 0.638 10 0 ECAERN NC(=O)[C@@H]1COCCN1C(=O)CCc1nc(-c2cccs2)no1 ZINC000091780953 218064869 /nfs/dbraw/zinc/06/48/69/218064869.db2.gz CKZNBHUBRKGOFN-VIFPVBQESA-N 0 0 336.373 0.443 10 0 ECAERN CCN(C[C@@H](O)c1cccc(O)c1)C(=O)C1CCN(CC(N)=O)CC1 ZINC000091877284 218082709 /nfs/dbraw/zinc/08/27/09/218082709.db2.gz DRTITFSULLGAKG-MRXNPFEDSA-N 0 0 349.431 0.471 10 0 ECAERN CCc1cc2c(CN3CCOC[C@H]3C(N)=O)cc(=O)oc2cc1O ZINC000092229948 218127985 /nfs/dbraw/zinc/12/79/85/218127985.db2.gz SZLKTYNMXGCNTD-ZDUSSCGKSA-N 0 0 332.356 0.747 10 0 ECAERN NC(=O)[C@H]1COCCN1Cc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000092230303 218128121 /nfs/dbraw/zinc/12/81/21/218128121.db2.gz RRWHBZCDNCOJLO-LLVKDONJSA-N 0 0 334.344 0.369 10 0 ECAERN Cc1nn(C)c2nc(N3CCC(NS(C)(=O)=O)CC3)sc12 ZINC000095502083 218416550 /nfs/dbraw/zinc/41/65/50/218416550.db2.gz WUWULPZGAJAJIV-UHFFFAOYSA-N 0 0 329.451 0.856 10 0 ECAERN CN(C)S(=O)(=O)N1C[C@@H](OCc2ccncc2)[C@H]2OCCC[C@H]21 ZINC000096065955 218562324 /nfs/dbraw/zinc/56/23/24/218562324.db2.gz BAXMYMVTMYWCNN-KFWWJZLASA-N 0 0 341.433 0.636 10 0 ECAERN O=C1C[C@@H](N2CC[C@H](N3CCOCC3)C2)C(=O)N1CC(F)(F)F ZINC000195243606 296342926 /nfs/dbraw/zinc/34/29/26/296342926.db2.gz CSPMOFQESBOSED-WDEREUQCSA-N 0 0 335.326 0.083 10 0 ECAERN NC(=O)[C@@H]1COCCN1Cc1nc(-c2cc(F)c(F)c(F)c2)no1 ZINC000092421366 207590653 /nfs/dbraw/zinc/59/06/53/207590653.db2.gz SIYPYGMAFZZKOM-JTQLQIEISA-N 0 0 342.277 0.840 10 0 ECAERN O=C1C[C@@H](N2CC[C@H](N3CCOCC3)C2)C(=O)N1c1ccccc1F ZINC000174006074 296343130 /nfs/dbraw/zinc/34/31/30/296343130.db2.gz QADDVBKXPDKLGR-XJKSGUPXSA-N 0 0 347.390 0.864 10 0 ECAERN COc1c2cnn(C)c2ncc1C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000189420793 207741931 /nfs/dbraw/zinc/74/19/31/207741931.db2.gz IFVMZIRETKWTQU-UHFFFAOYSA-N 0 0 329.360 0.328 10 0 ECAERN COCCN1CCN(C(=O)CC2(CS(C)(=O)=O)CC2)C[C@H]1C ZINC000176859971 285040910 /nfs/dbraw/zinc/04/09/10/285040910.db2.gz PFOXGKLJLRAKRA-CYBMUJFWSA-N 0 0 332.466 0.380 10 0 ECAERN CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)[NH3+])C(=O)[O-] ZINC000005716323 210523714 /nfs/dbraw/zinc/52/37/14/210523714.db2.gz ZBLQIYPCUWZSRZ-SNPRPXQTSA-N 0 0 349.431 0.677 10 0 ECAERN CC(=O)N[C@H]1CCCN(C(=O)c2nn(C)cc2Br)C1 ZINC000432663398 210489276 /nfs/dbraw/zinc/48/92/76/210489276.db2.gz HXOROJGUBFVIHJ-VIFPVBQESA-N 0 0 329.198 0.923 10 0 ECAERN O=C(N[C@@H]1CCc2ncnn2C1)C1CCN(C(=O)N2CCCC2)CC1 ZINC000112662333 220367979 /nfs/dbraw/zinc/36/79/79/220367979.db2.gz NQLMGOYXMIGFGI-CQSZACIVSA-N 0 0 346.435 0.637 10 0 ECAERN C[C@H](CC1CC1)NC(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000112721892 220386727 /nfs/dbraw/zinc/38/67/27/220386727.db2.gz ULNPCVOHXMGTPU-CQSZACIVSA-N 0 0 338.452 0.361 10 0 ECAERN CCNC(=O)NC1(C(=O)N[C@H]2CCc3nc(CC)nn3C2)CCCC1 ZINC000114864169 220768517 /nfs/dbraw/zinc/76/85/17/220768517.db2.gz IVDYJZDGIKFHQS-LBPRGKRZSA-N 0 0 348.451 0.903 10 0 ECAERN O=C(NC[C@@H](O)CN1CCOCC1)c1ccc(-n2cccn2)cc1 ZINC000154157140 224211908 /nfs/dbraw/zinc/21/19/08/224211908.db2.gz HKYUFYDWCUUNTA-MRXNPFEDSA-N 0 0 330.388 0.295 10 0 ECAERN Cc1cc(S(=O)(=O)N[C@@H]2CCc3ncnn3C2)cnc1Cl ZINC000117365364 221057923 /nfs/dbraw/zinc/05/79/23/221057923.db2.gz ZPMYYWGMWWJAGR-SECBINFHSA-N 0 0 327.797 0.928 10 0 ECAERN CCOCCN1CCN(C(=O)CNC(=O)Cc2ccccc2)C[C@@H]1C ZINC000117275311 221041757 /nfs/dbraw/zinc/04/17/57/221041757.db2.gz OOGXFEINCYDOMZ-INIZCTEOSA-N 0 0 347.459 0.915 10 0 ECAERN CCOCCN1CCN(C(=O)Cn2nc3ccccn3c2=O)C[C@@H]1C ZINC000117282147 221042070 /nfs/dbraw/zinc/04/20/70/221042070.db2.gz KMZRNPFNUGQZHK-AWEZNQCLSA-N 0 0 347.419 0.065 10 0 ECAERN CCOCCN1CCN(C(=O)Cn2nc3ccccn3c2=O)C[C@H]1C ZINC000117282149 221042359 /nfs/dbraw/zinc/04/23/59/221042359.db2.gz KMZRNPFNUGQZHK-CQSZACIVSA-N 0 0 347.419 0.065 10 0 ECAERN CC[C@H]1CN(C(=O)CS(=O)(=O)CC(C)C)CCN1CCOC ZINC000117299420 221049087 /nfs/dbraw/zinc/04/90/87/221049087.db2.gz SPTGCPONURMUIR-AWEZNQCLSA-N 0 0 334.482 0.626 10 0 ECAERN COCCN1CCN(C(=O)NCCCN2CCCC2=O)C[C@@H]1C ZINC000117467519 221066630 /nfs/dbraw/zinc/06/66/30/221066630.db2.gz CXCUAENDTPHREU-AWEZNQCLSA-N 0 0 326.441 0.361 10 0 ECAERN Cc1cnn(CCNC(=O)CN2C(=O)N[C@]3(CCCC[C@H]3C)C2=O)c1 ZINC000117817112 221092922 /nfs/dbraw/zinc/09/29/22/221092922.db2.gz RKBHFFYJGBFILL-DYVFJYSZSA-N 0 0 347.419 0.808 10 0 ECAERN Cc1cnn(CCNC(=O)CNC2=NS(=O)(=O)c3ccccc32)c1 ZINC000117815552 221092937 /nfs/dbraw/zinc/09/29/37/221092937.db2.gz YFENTFSUHCXLRL-UHFFFAOYSA-N 0 0 347.400 0.046 10 0 ECAERN COC[C@H](C)S(=O)(=O)N1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC000117925065 221100331 /nfs/dbraw/zinc/10/03/31/221100331.db2.gz RRCVXEHIMBPEEM-SMDDNHRTSA-N 0 0 330.454 0.972 10 0 ECAERN CN1CCO[C@H](CNC(=O)C(=O)Nc2ccc3ncsc3c2)C1 ZINC000118115686 221121877 /nfs/dbraw/zinc/12/18/77/221121877.db2.gz ZBEDDPZAUIJWHH-LLVKDONJSA-N 0 0 334.401 0.682 10 0 ECAERN Cc1oncc1C(=O)N1CC[C@@H]2[C@@H](CO[C@H]2CNS(C)(=O)=O)C1 ZINC000252002507 257660282 /nfs/dbraw/zinc/66/02/82/257660282.db2.gz MYYPUCVRHACFMP-WZRBSPASSA-N 0 0 343.405 0.009 10 0 ECAERN NC(=O)c1ncn([C@H]2CCCN(Cc3cn4ccccc4n3)C2)n1 ZINC000299738776 258010904 /nfs/dbraw/zinc/01/09/04/258010904.db2.gz GHJKATDLKGFTHB-ZDUSSCGKSA-N 0 0 325.376 0.862 10 0 ECAERN COc1ccc(C(F)(F)C(=O)NC[C@H](O)CN2CCOCC2)cc1 ZINC000132672990 533371410 /nfs/dbraw/zinc/37/14/10/533371410.db2.gz DPWBFLMJCGQRBH-ZDUSSCGKSA-N 0 0 344.358 0.596 10 0 ECAERN C[C@H](O)CCN(C)C(=O)[C@@H]1CCC[C@@H]1C(=O)N(C)CC[C@H](C)O ZINC000245762577 296728692 /nfs/dbraw/zinc/72/86/92/296728692.db2.gz IUEMZILTGMNTFG-ZQDZILKHSA-N 0 0 328.453 0.861 10 0 ECAERN CO[C@@H]1COC[C@@H]1N1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC000333561694 297141665 /nfs/dbraw/zinc/14/16/65/297141665.db2.gz OEVNCXKNRBQKFB-JKSUJKDBSA-N 0 0 340.445 0.797 10 0 ECAERN Cc1ccc2c(c1)c(CNC(=O)C1CCN(CC(N)=O)CC1)nn2C ZINC000091690508 292370541 /nfs/dbraw/zinc/37/05/41/292370541.db2.gz DGJMAWXMCGTLGX-UHFFFAOYSA-N 0 0 343.431 0.695 10 0 ECAERN C[C@@H](NC(=O)C(=O)Nc1cccnc1-n1cccn1)[C@H]1CCCO1 ZINC000071066288 286933937 /nfs/dbraw/zinc/93/39/37/286933937.db2.gz VYZDMVCQZATZNZ-DGCLKSJQSA-N 0 0 329.360 0.890 10 0 ECAERN CNC(=O)[C@H](NC(=O)[C@H](C)n1nnc(-c2ccccc2)n1)C(C)C ZINC000178717123 164918680 /nfs/dbraw/zinc/91/86/80/164918680.db2.gz CPKODLLJMNUEBU-WCQYABFASA-N 0 0 330.392 0.788 10 0 ECAERN Cc1nc(CN2CCCN(S(=O)(=O)N3CCC[C@@H]3C)CC2)no1 ZINC000185030831 164968757 /nfs/dbraw/zinc/96/87/57/164968757.db2.gz JZTOHXFAUAEZCK-LBPRGKRZSA-N 0 0 343.453 0.615 10 0 ECAERN C[C@H]1C(=O)NCCCN1C(=O)CN1CCN(Cc2ccccc2)CC1 ZINC000188079592 164994100 /nfs/dbraw/zinc/99/41/00/164994100.db2.gz PZOBOZGHFMZBDD-INIZCTEOSA-N 0 0 344.459 0.541 10 0 ECAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCCOc1ccc(F)c(F)c1 ZINC000188941834 165004310 /nfs/dbraw/zinc/00/43/10/165004310.db2.gz RXDXMZZWJQQXKG-QMTHXVAHSA-N 0 0 328.315 0.442 10 0 ECAERN C[C@@H]1C(=O)NCCCN1CC(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000189281011 165008333 /nfs/dbraw/zinc/00/83/33/165008333.db2.gz SQKGQSYUPDRUFH-CYBMUJFWSA-N 0 0 344.415 0.962 10 0 ECAERN O=C(NC1CN(C(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)C1)C1CC1 ZINC000189414977 165009374 /nfs/dbraw/zinc/00/93/74/165009374.db2.gz TWIUWQLBBBUWRH-CQSZACIVSA-N 0 0 348.447 0.651 10 0 ECAERN O=C(NC1CN(C(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)C1)C1CC1 ZINC000189375058 165009912 /nfs/dbraw/zinc/00/99/12/165009912.db2.gz NOEJEHYPINBZRC-SECBINFHSA-N 0 0 333.310 0.134 10 0 ECAERN CCCCN1CCOC[C@H]1C(=O)NCCc1nnc2n1CCCC2 ZINC000190646983 165023479 /nfs/dbraw/zinc/02/34/79/165023479.db2.gz JMXOQLXATGVDCI-AWEZNQCLSA-N 0 0 335.452 0.774 10 0 ECAERN CO[C@H](C)[C@H](C)NC(=O)N1CCN(c2ccc3nncn3n2)CC1 ZINC000190669728 165023580 /nfs/dbraw/zinc/02/35/80/165023580.db2.gz IGSCODZAAGQMFB-NWDGAFQWSA-N 0 0 333.396 0.379 10 0 ECAERN CC(=O)NC1CN(C(=O)C(=O)Nc2cccc(-c3cnco3)c2)C1 ZINC000191345337 165030642 /nfs/dbraw/zinc/03/06/42/165030642.db2.gz GJHFXJMVAVRGBW-UHFFFAOYSA-N 0 0 328.328 0.627 10 0 ECAERN CCNC(=O)c1cccc(CNC(=O)N2CCCNC(=O)[C@H]2C)c1 ZINC000191261149 165030875 /nfs/dbraw/zinc/03/08/75/165030875.db2.gz SVWPFIYRGLRUEX-GFCCVEGCSA-N 0 0 332.404 0.856 10 0 ECAERN CC(=O)NC1CN(C(=O)[C@H]2CCCN(C(=O)NC3CCCC3)C2)C1 ZINC000191486827 165032810 /nfs/dbraw/zinc/03/28/10/165032810.db2.gz CFLATTPBCSNBIW-ZDUSSCGKSA-N 0 0 336.436 0.698 10 0 ECAERN CC(=O)N1CCc2ccccc2[C@H]1CC(=O)NC[C@H]1CN(C)CCO1 ZINC000194623712 165068198 /nfs/dbraw/zinc/06/81/98/165068198.db2.gz HDMHWXULPIEIBS-FUHWJXTLSA-N 0 0 345.443 0.969 10 0 ECAERN CN1CCO[C@@H](CNC(=O)Cc2csc(N3CCCC3=O)n2)C1 ZINC000194612380 165069862 /nfs/dbraw/zinc/06/98/62/165069862.db2.gz MTSKGTDIRJQPLG-LBPRGKRZSA-N 0 0 338.433 0.259 10 0 ECAERN CCC(CC)NC(=O)[C@@H](C)S(=O)(=O)Cc1nnnn1C(C)C ZINC000195429270 165082090 /nfs/dbraw/zinc/08/20/90/165082090.db2.gz JKLSORHDGJFFGK-SNVBAGLBSA-N 0 0 331.442 0.862 10 0 ECAERN CCOCCN1CCN(C(=O)[C@H](C)CS(C)(=O)=O)C[C@@H]1CC ZINC000245436903 165105612 /nfs/dbraw/zinc/10/56/12/165105612.db2.gz VUYKGXBPVFBKTR-KGLIPLIRSA-N 0 0 334.482 0.626 10 0 ECAERN O=C(N[C@H]1CCN(c2ccccn2)C1)N[C@H]1CCc2ncnn2C1 ZINC000245521244 165107596 /nfs/dbraw/zinc/10/75/96/165107596.db2.gz CBTHSEXHPZKJQU-STQMWFEESA-N 0 0 327.392 0.566 10 0 ECAERN CCc1onc(C)c1NC(=O)C(=O)N1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000245672444 165112489 /nfs/dbraw/zinc/11/24/89/165112489.db2.gz SLPAIQHENODDGU-QWRGUYRKSA-N 0 0 338.408 0.397 10 0 ECAERN C[C@@H]1CC[C@@H](C(=O)N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)O1 ZINC000246057890 165121568 /nfs/dbraw/zinc/12/15/68/165121568.db2.gz QXQHCHMDDMTKCE-VNQPRFMTSA-N 0 0 331.416 0.925 10 0 ECAERN CNc1cc(N2CCC[C@@H]2CNC(=O)N[C@H](C)[C@@H](C)CO)ncn1 ZINC000246321327 165130703 /nfs/dbraw/zinc/13/07/03/165130703.db2.gz NZLCDDWYBNOJGT-YNEHKIRRSA-N 0 0 336.440 0.803 10 0 ECAERN CN([C@@H]1CCCN(c2cccnn2)C1)S(=O)(=O)C[C@H]1CCOC1 ZINC000246599275 165139696 /nfs/dbraw/zinc/13/96/96/165139696.db2.gz CXSNUICKPGOIDU-UONOGXRCSA-N 0 0 340.449 0.744 10 0 ECAERN CC[C@H](C)[C@@H](NC(=O)CN1CCC[C@@H](n2cncn2)C1)C(=O)OC ZINC000247396001 165160516 /nfs/dbraw/zinc/16/05/16/165160516.db2.gz XVHAWHJPGGTRRM-GZBFAFLISA-N 0 0 337.424 0.619 10 0 ECAERN Cn1cc(CN2CCCN(S(=O)(=O)C[C@H]3CCOC3)CC2)cn1 ZINC000247393626 165161159 /nfs/dbraw/zinc/16/11/59/165161159.db2.gz ZYYCNACYFIQYNZ-AWEZNQCLSA-N 0 0 342.465 0.294 10 0 ECAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NC[C@@H]1CCC[C@@H](O)C1 ZINC000247460904 165163341 /nfs/dbraw/zinc/16/33/41/165163341.db2.gz QZYMTTIMIIFULZ-MGPQQGTHSA-N 0 0 332.466 0.858 10 0 ECAERN CCN(CC1CC1)S(=O)(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000248651724 165181318 /nfs/dbraw/zinc/18/13/18/165181318.db2.gz SVQOXNMJATYNIM-ZFWWWQNUSA-N 0 0 331.482 0.616 10 0 ECAERN CCn1cc([C@@H]2CN([C@H](C)C(=O)NC[C@H]3CCCO3)CCO2)cn1 ZINC000248815901 165185699 /nfs/dbraw/zinc/18/56/99/165185699.db2.gz UHUARVCOEAYFKH-BMFZPTHFSA-N 0 0 336.436 0.960 10 0 ECAERN CCn1cc([C@H]2CN([C@H]3CCN(c4cnn(C)c4)C3=O)CCO2)cn1 ZINC000248797451 165186650 /nfs/dbraw/zinc/18/66/50/165186650.db2.gz PGUTWMMQRNQURC-JKSUJKDBSA-N 0 0 344.419 0.815 10 0 ECAERN C[NH2+][C@@H](C)Cc1noc([C@@H](C)[N-]S(=O)(=O)c2c(C)noc2C)n1 ZINC000261650939 165221444 /nfs/dbraw/zinc/22/14/44/165221444.db2.gz DXEXWIMKTDAICU-IONNQARKSA-N 0 0 343.409 0.864 10 0 ECAERN C[C@H]1OCCN[C@@H]1C(=O)NCc1ccc(Cn2ccccc2=O)cc1 ZINC000261887899 165258043 /nfs/dbraw/zinc/25/80/43/165258043.db2.gz GAHPEGSPRUHIRP-KDOFPFPSSA-N 0 0 341.411 0.890 10 0 ECAERN C[C@H]1OCCN[C@@H]1C(=O)N1CCCN(C(=O)c2ccccc2)CC1 ZINC000261889058 165258192 /nfs/dbraw/zinc/25/81/92/165258192.db2.gz GFWWOUGOIGRIDY-ZBFHGGJFSA-N 0 0 331.416 0.738 10 0 ECAERN C[C@H]1OCCN[C@@H]1C(=O)N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 ZINC000261978352 165272176 /nfs/dbraw/zinc/27/21/76/165272176.db2.gz RJGMWJWQBNGMNZ-LZWOXQAQSA-N 0 0 337.464 0.860 10 0 ECAERN C[N@@H+](CC(=O)[O-])C[C@H]1CN(c2ccc(OC(F)F)cn2)CCO1 ZINC000262116241 165294906 /nfs/dbraw/zinc/29/49/06/165294906.db2.gz LHNJJLDUIVZBND-NSHDSACASA-N 0 0 331.319 0.905 10 0 ECAERN C[C@H]1C[NH+](CCC2CCN(CC(=O)NCC(=O)[O-])CC2)C[C@H](C)O1 ZINC000262259649 165318040 /nfs/dbraw/zinc/31/80/40/165318040.db2.gz RZICVRJLKGQAAU-KBPBESRZSA-N 0 0 341.452 0.399 10 0 ECAERN NCc1nc(CN2CCN(CC(=O)NC3CCCCC3)CC2)no1 ZINC000262313968 165327817 /nfs/dbraw/zinc/32/78/17/165327817.db2.gz ZIBDCCZONGGPSA-UHFFFAOYSA-N 0 0 336.440 0.095 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NS(=O)(=O)c2ccccc2OC)C1 ZINC000262470997 165353490 /nfs/dbraw/zinc/35/34/90/165353490.db2.gz NROMYWLDBPRLOO-UHFFFAOYSA-N 0 0 342.417 0.911 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NS(=O)(=O)N2CCCCCC2)C1 ZINC000262485237 165355470 /nfs/dbraw/zinc/35/54/70/165355470.db2.gz UIHWSYXFPGXHNY-UHFFFAOYSA-N 0 0 333.454 0.634 10 0 ECAERN C[N@@H+](CC(=O)[O-])C[C@H]1CN(C(=O)Cn2cnc3ccccc32)CCO1 ZINC000262546594 165361955 /nfs/dbraw/zinc/36/19/55/165361955.db2.gz SCRXJYVAAKIMDG-ZDUSSCGKSA-N 0 0 346.387 0.280 10 0 ECAERN CCCNS(=O)(=O)c1ccc(NC(=O)[C@H]2COCCN2)cc1 ZINC000262600680 165366431 /nfs/dbraw/zinc/36/64/31/165366431.db2.gz CETVTKFUIOIFIN-CYBMUJFWSA-N 0 0 327.406 0.302 10 0 ECAERN O=C(CCc1ccccc1)N1CCC(NC(=O)[C@@H]2COCCN2)CC1 ZINC000262639843 165369961 /nfs/dbraw/zinc/36/99/61/165369961.db2.gz ZBHUGKCZOYSLQA-KRWDZBQOSA-N 0 0 345.443 0.715 10 0 ECAERN O=C([O-])C[N@H+](CC1CC1)C1CC(NC(=O)COC2CCOCC2)C1 ZINC000262683370 165373556 /nfs/dbraw/zinc/37/35/56/165373556.db2.gz BKKMAGBPGDJGFN-UHFFFAOYSA-N 0 0 340.420 0.626 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)c2c(C)oc3nc[nH]c(=O)c32)C1 ZINC000262724620 165377823 /nfs/dbraw/zinc/37/78/23/165377823.db2.gz RQQWEUUNIHLCKU-UHFFFAOYSA-N 0 0 348.359 0.904 10 0 ECAERN C[N@@H+](CC(=O)[O-])C[C@H]1CN(C(=O)c2ccc(F)c(F)c2F)CCO1 ZINC000262879941 165397860 /nfs/dbraw/zinc/39/78/60/165397860.db2.gz FGLCFHQNCCKXOQ-VIFPVBQESA-N 0 0 346.305 0.961 10 0 ECAERN CNc1nc(N2CCN(C[C@H](C)O)CC2)ncc1Br ZINC000302562845 296898534 /nfs/dbraw/zinc/89/85/34/296898534.db2.gz UZNRXBHHQNQPIG-VIFPVBQESA-N 0 0 330.230 0.784 10 0 ECAERN CCS(=O)(=O)CC(=O)N(C)[C@H]1CCCN(c2cccnn2)C1 ZINC000122315533 222058848 /nfs/dbraw/zinc/05/88/48/222058848.db2.gz HMBYPCJUHNZRJS-LBPRGKRZSA-N 0 0 326.422 0.339 10 0 ECAERN CCCc1noc(CCCC(=O)NC[C@H](O)CN2CCOCC2)n1 ZINC000122610574 222124179 /nfs/dbraw/zinc/12/41/79/222124179.db2.gz ZUKBBPLQHHSHEK-ZDUSSCGKSA-N 0 0 340.424 0.154 10 0 ECAERN CCS(=O)(=O)c1cccc(CC(=O)NC[C@@H]2CN(C)CCO2)c1 ZINC000123369927 222264720 /nfs/dbraw/zinc/26/47/20/222264720.db2.gz HOBUBOPDEYAOAI-CQSZACIVSA-N 0 0 340.445 0.470 10 0 ECAERN Cc1cnn(C[C@@H]2CN(C(=O)C(=O)Nc3ncc(C)s3)CCO2)c1 ZINC000123710622 222321331 /nfs/dbraw/zinc/32/13/31/222321331.db2.gz QCSRVLIGBBOJLU-LBPRGKRZSA-N 0 0 349.416 0.823 10 0 ECAERN Cc1cnn(C[C@H]2CN(C(=O)C(=O)Nc3ncc(C)s3)CCO2)c1 ZINC000123710896 222321524 /nfs/dbraw/zinc/32/15/24/222321524.db2.gz QCSRVLIGBBOJLU-GFCCVEGCSA-N 0 0 349.416 0.823 10 0 ECAERN C[C@H](O)C1CCN(C(=O)C(=O)Nc2ccccc2-n2ccnn2)CC1 ZINC000171791953 227282837 /nfs/dbraw/zinc/28/28/37/227282837.db2.gz XVEXNWZOCQZZFT-LBPRGKRZSA-N 0 0 343.387 0.825 10 0 ECAERN CCCn1c2ccccc2n(CCC(=O)N2CC(NC(C)=O)C2)c1=O ZINC000190454117 263164185 /nfs/dbraw/zinc/16/41/85/263164185.db2.gz VCBPRFHGLHSKMD-UHFFFAOYSA-N 0 0 344.415 0.950 10 0 ECAERN CCC(CC)N1C[C@H](C(=O)NC[C@@H](C)N2CCOCC2)CC1=O ZINC000192491276 263165971 /nfs/dbraw/zinc/16/59/71/263165971.db2.gz ATJRDQSJGIOTFL-ZIAGYGMSSA-N 0 0 325.453 0.860 10 0 ECAERN Cc1ccc(C[C@H](CO)NC(=O)NC[C@H](C)N2CCOCC2)cc1 ZINC000191939551 263165990 /nfs/dbraw/zinc/16/59/90/263165990.db2.gz VHMPZCJAKZUILI-DOTOQJQBSA-N 0 0 335.448 0.918 10 0 ECAERN CN1CCO[C@@H](CNC(=O)CCc2nc(-c3ccncc3)no2)C1 ZINC000194748643 263169564 /nfs/dbraw/zinc/16/95/64/263169564.db2.gz LXESOHUVMLLMAY-ZDUSSCGKSA-N 0 0 331.376 0.511 10 0 ECAERN CCc1nn(C)c(CC)c1CC(=O)N1CC[C@](O)(c2cn[nH]n2)C1 ZINC000284814378 264240956 /nfs/dbraw/zinc/24/09/56/264240956.db2.gz NSFDYZZZYLYYBD-MRXNPFEDSA-N 0 0 332.408 0.326 10 0 ECAERN CO[C@H]1C[C@@H](C(N)=O)N(S(=O)(=O)Cc2ccc(C)c(F)c2)C1 ZINC000284888426 264251773 /nfs/dbraw/zinc/25/17/73/264251773.db2.gz GYWONRZFVOZFLM-AAEUAGOBSA-N 0 0 330.381 0.539 10 0 ECAERN CO[C@@H]1C[C@@H](CO)N(C(=O)Cn2cc(Br)ccc2=O)C1 ZINC000284979875 264265174 /nfs/dbraw/zinc/26/51/74/264265174.db2.gz XRXUCPJXSMLTHJ-WDEREUQCSA-N 0 0 345.193 0.219 10 0 ECAERN CO[C@H]1C[C@@H](C(N)=O)N(C(=O)c2cnn(Cc3ccccc3)c2C)C1 ZINC000285010519 264269269 /nfs/dbraw/zinc/26/92/69/264269269.db2.gz ZDUVVRVQZGWIBZ-HOCLYGCPSA-N 0 0 342.399 0.955 10 0 ECAERN COc1ccc(CN[C@@H]2CC(=O)N(C3CC3)[C@H]2c2ccnn2C)nn1 ZINC000285295912 264299368 /nfs/dbraw/zinc/29/93/68/264299368.db2.gz RRUNBNSKBHDELA-CXAGYDPISA-N 0 0 342.403 0.813 10 0 ECAERN C[C@H]1OCC[C@@H]1NC(=O)c1cnn(C)c1I ZINC000294666640 265015041 /nfs/dbraw/zinc/01/50/41/265015041.db2.gz TYHSRRDPDLCLDN-SVRRBLITSA-N 0 0 335.145 0.932 10 0 ECAERN Cc1ccccc1[C@H](CC(=O)N1CC(NC(=O)C2CC2)C1)NC(N)=O ZINC000189430932 437597898 /nfs/dbraw/zinc/59/78/98/437597898.db2.gz IQDOVGUEFNBCGE-HNNXBMFYSA-N 0 0 344.415 0.832 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)C(=O)Nc2ccnn2C(C)C)CC1 ZINC000189453392 437598395 /nfs/dbraw/zinc/59/83/95/437598395.db2.gz VFMQOEVLZVXZBT-CYBMUJFWSA-N 0 0 337.424 0.318 10 0 ECAERN CC(=O)NCCCNC(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(F)cc1 ZINC000129842396 278102146 /nfs/dbraw/zinc/10/21/46/278102146.db2.gz VWINIHHUXIJKMC-HOCLYGCPSA-N 0 0 335.379 0.988 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)C(=O)Nc2ccc(Cl)nc2)CC1 ZINC000189477439 437600769 /nfs/dbraw/zinc/60/07/69/437600769.db2.gz PZXUCDFJASNFBU-GFCCVEGCSA-N 0 0 340.811 0.589 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)C(=O)Nc2ccc(F)c(C)c2)CC1 ZINC000189466291 437600919 /nfs/dbraw/zinc/60/09/19/437600919.db2.gz VJAHFQLUTUKXCZ-CQSZACIVSA-N 0 0 337.395 0.988 10 0 ECAERN CC(C)[C@H](NC(=O)C(=O)Nc1ccc(N(C)C)c(Cl)c1)C(N)=O ZINC000189530257 437603989 /nfs/dbraw/zinc/60/39/89/437603989.db2.gz NFRYGMBTBZVHJX-LBPRGKRZSA-N 0 0 340.811 0.971 10 0 ECAERN CCn1c(C)nnc1CN1CCN(c2ncccc2C(N)=O)CC1 ZINC000102399204 281598357 /nfs/dbraw/zinc/59/83/57/281598357.db2.gz NLNHVICRIPOSCD-UHFFFAOYSA-N 0 0 329.408 0.423 10 0 ECAERN COC[C@H](C)n1ccc(NC(=O)NC[C@@H](C)N2CCOCC2)n1 ZINC000189828399 437611604 /nfs/dbraw/zinc/61/16/04/437611604.db2.gz BLTLDTACIFELMM-OLZOCXBDSA-N 0 0 325.413 0.933 10 0 ECAERN Cn1c(=O)c2ccc(C(=O)N3CC[C@H]([NH+](C)C)C3)cc2[n-]c1=S ZINC000170868024 289385661 /nfs/dbraw/zinc/38/56/61/289385661.db2.gz FJVILMKPZIRKLL-NSHDSACASA-N 0 0 332.429 0.998 10 0 ECAERN CN1CC[C@H](NC(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccc(F)cc2)C1=O ZINC000245694084 290211534 /nfs/dbraw/zinc/21/15/34/290211534.db2.gz XSXONWYNPPHQEI-YDHLFZDLSA-N 0 0 333.363 0.692 10 0 ECAERN Cn1cccc(NC(=O)C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)c1=O ZINC000122924739 294370052 /nfs/dbraw/zinc/37/00/52/294370052.db2.gz FSUFRWBCJSCJON-SJKOYZFVSA-N 0 0 333.388 0.477 10 0 ECAERN CC(=O)NC1CN(C(=O)NCCc2nnc(-c3ccccc3)o2)C1 ZINC000190286004 437621587 /nfs/dbraw/zinc/62/15/87/437621587.db2.gz LLNCVKKILJTALL-UHFFFAOYSA-N 0 0 329.360 0.809 10 0 ECAERN CN(C(=O)[C@@H]1CC(=O)C[C@@H]1C(=O)N(C)[C@H]1CCOC1)[C@@H]1CCOC1 ZINC000333405460 297131413 /nfs/dbraw/zinc/13/14/13/297131413.db2.gz CGUAJYPQOFJROX-CUFDPUGPSA-N 0 0 338.404 0.076 10 0 ECAERN Cn1ccnc1[C@@H]1CN(C(=O)c2cnc3c(c2)ncn3C)CCN1C ZINC000333407177 297131584 /nfs/dbraw/zinc/13/15/84/297131584.db2.gz GHSLHKZCQRVFMD-AWEZNQCLSA-N 0 0 339.403 0.831 10 0 ECAERN O=C(C[C@@H]1Sc2ccccc2NC1=O)N1CCN2C(=O)N=NC2C1 ZINC000333440983 297134561 /nfs/dbraw/zinc/13/45/61/297134561.db2.gz LVKYITVTXGKXED-NSHDSACASA-N 0 0 345.384 0.829 10 0 ECAERN Cc1nc(N2CCOCC2)ccc1NC(=O)[C@@H](C)N1CCOCC1 ZINC000333527436 297139953 /nfs/dbraw/zinc/13/99/53/297139953.db2.gz XKAQQIJNATTZDY-CQSZACIVSA-N 0 0 334.420 0.886 10 0 ECAERN Cc1noc([C@@H]2CC[C@H](CNS(=O)(=O)[C@H]3CCO[C@H]3C)O2)n1 ZINC000333564422 297141913 /nfs/dbraw/zinc/14/19/13/297141913.db2.gz SAHOTYZFEIGDJU-IELRGYKMSA-N 0 0 331.394 0.695 10 0 ECAERN CCN(C(=O)CN1CCO[C@@H]2CCCC[C@H]21)[C@@H]1CCS(=O)(=O)C1 ZINC000361935000 300143193 /nfs/dbraw/zinc/14/31/93/300143193.db2.gz APLCSOAJOJBYSE-RBSFLKMASA-N 0 0 344.477 0.665 10 0 ECAERN C[C@H]1CN(C(=O)c2cccc(NC(N)=O)c2)C[C@@H]1N1CCOCC1 ZINC000173960859 300197313 /nfs/dbraw/zinc/19/73/13/300197313.db2.gz VXHUYSYIDGAIPF-WFASDCNBSA-N 0 0 332.404 0.970 10 0 ECAERN CCOC(=O)CSc1nnc(N)n1CC(=O)NC1CCCCC1 ZINC000006147510 435998132 /nfs/dbraw/zinc/99/81/32/435998132.db2.gz FZUADCQHTNOXTM-UHFFFAOYSA-N 0 0 341.437 0.964 10 0 ECAERN CC(=O)OC[C@H]1O[C@H](OC(C)=O)C[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000008613037 436031060 /nfs/dbraw/zinc/03/10/60/436031060.db2.gz KLEORKVJPIJWNG-CRWXNKLISA-N 0 0 332.305 0.091 10 0 ECAERN COC(=O)CSc1nnc(N)n1CC(=O)NC1CCCCC1 ZINC000006147509 435996406 /nfs/dbraw/zinc/99/64/06/435996406.db2.gz AZUXIVKGWXXATJ-UHFFFAOYSA-N 0 0 327.410 0.574 10 0 ECAERN Cc1nn(C)c2ncc(S(=O)(=O)N3C[C@@H](F)C[C@H]3CO)cc12 ZINC000372445151 301002261 /nfs/dbraw/zinc/00/22/61/301002261.db2.gz ILPHVGBXWYMQNX-UWVGGRQHSA-N 0 0 328.369 0.370 10 0 ECAERN CCn1cc([C@@H]2CN(C(=O)[C@H]3CSCN3C(C)=O)CCO2)cn1 ZINC000372816887 301031825 /nfs/dbraw/zinc/03/18/25/301031825.db2.gz DDPLAPNLRZPPGZ-KGLIPLIRSA-N 0 0 338.433 0.724 10 0 ECAERN CC(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000372976312 301039588 /nfs/dbraw/zinc/03/95/88/301039588.db2.gz GFISKDQWCTVTDC-KKUMJFAQSA-N 0 0 344.477 0.379 10 0 ECAERN CO[C@@H]1[C@H](C)[C@H](NC(=O)N2CCOC[C@@H]2c2ncnn2C)C1(C)C ZINC000375148273 301153224 /nfs/dbraw/zinc/15/32/24/301153224.db2.gz GXXUZUJRDOCLQF-FVCCEPFGSA-N 0 0 337.424 0.958 10 0 ECAERN O=C1CC[C@H](NS(=O)(=O)c2cccnc2)[C@@H]([C@@H]2CCCO2)N1 ZINC000377856851 301383884 /nfs/dbraw/zinc/38/38/84/301383884.db2.gz QCWNFOMWKHGCJL-OBJOEFQTSA-N 0 0 325.390 0.186 10 0 ECAERN CC(C)N1C[C@@]2(CCCN(Cc3nc(C(N)=O)no3)C2)CCC1=O ZINC000077419899 436235960 /nfs/dbraw/zinc/23/59/60/436235960.db2.gz IEXRVUAOGXAUBV-INIZCTEOSA-N 0 0 335.408 0.782 10 0 ECAERN O=C1CCC(=O)N1c1ccc2oc(=O)n(CN3CCOCC3)c2c1 ZINC000033884635 436253570 /nfs/dbraw/zinc/25/35/70/436253570.db2.gz HWELZVAKHIRUCZ-UHFFFAOYSA-N 0 0 331.328 0.538 10 0 ECAERN COC(=O)/C=c1\sc2n(c1=O)CN([C@H]1CCC[C@H](C)[C@H]1C)CN=2 ZINC000035889455 436256730 /nfs/dbraw/zinc/25/67/30/436256730.db2.gz TZHMHVSKEWAKLN-XVMBZTHOSA-N 0 0 337.445 0.538 10 0 ECAERN C[C@H](NC(=O)C(=O)Nc1cnn(CC(N)=O)c1)c1cccc(Cl)c1 ZINC000080142595 436311432 /nfs/dbraw/zinc/31/14/32/436311432.db2.gz DAJMJDCBLHAMMT-VIFPVBQESA-N 0 0 349.778 0.838 10 0 ECAERN CC(=O)N1CCN(C(=O)[C@@H](Cc2ccccc2)n2cnnn2)CC1 ZINC000045527041 436369830 /nfs/dbraw/zinc/36/98/30/436369830.db2.gz JZHHAJUIJWSHOQ-OAHLLOKOSA-N 0 0 328.376 0.148 10 0 ECAERN CCc1ccc(S(=O)(=O)N2CC[C@@]3(C2)NC(=O)NC3=O)s1 ZINC000084796616 436385509 /nfs/dbraw/zinc/38/55/09/436385509.db2.gz VIFJVRPLDZSRSC-LBPRGKRZSA-N 0 0 329.403 0.283 10 0 ECAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)CS(=O)(=O)CC(C)C ZINC000087563487 436398831 /nfs/dbraw/zinc/39/88/31/436398831.db2.gz DAFSVDZNAYJEIO-LLVKDONJSA-N 0 0 328.438 0.862 10 0 ECAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)NCCCN1CCOCC1 ZINC000088478501 436400185 /nfs/dbraw/zinc/40/01/85/436400185.db2.gz BSKAIMFBEDZFPN-CYBMUJFWSA-N 0 0 336.440 0.697 10 0 ECAERN CCS(=O)(=O)N[C@H](CCSC)C(=O)NC[C@H]1CCC[C@@H]1O ZINC000089161198 436407003 /nfs/dbraw/zinc/40/70/03/436407003.db2.gz KVWOWXKTRYPFRK-UTUOFQBUSA-N 0 0 338.495 0.325 10 0 ECAERN Cn1cc(C(=O)NC[C@@H](O)CN2CCOCC2)c(-c2ccccc2)n1 ZINC000091036186 436439960 /nfs/dbraw/zinc/43/99/60/436439960.db2.gz WVYAPAFWSXZPBT-OAHLLOKOSA-N 0 0 344.415 0.510 10 0 ECAERN CN(CC[C@H](O)c1ccccc1)C(=O)C1CCN(CC(N)=O)CC1 ZINC000091780073 436460620 /nfs/dbraw/zinc/46/06/20/436460620.db2.gz IWKGHSWDQAYSCR-INIZCTEOSA-N 0 0 333.432 0.766 10 0 ECAERN Cc1oc2[nH]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)N1CC(O)C1 ZINC000089512354 436411810 /nfs/dbraw/zinc/41/18/10/436411810.db2.gz ISYSNKOSPRNGIO-UHFFFAOYSA-N 0 0 341.323 0.809 10 0 ECAERN Cc1cc(NC(=O)CN2CCCN(c3cccnn3)CC2)n(C)n1 ZINC000105799295 436577357 /nfs/dbraw/zinc/57/73/57/436577357.db2.gz IFQMZXKIRYQFPB-UHFFFAOYSA-N 0 0 329.408 0.669 10 0 ECAERN Cc1ccc2oc(N3CCN(CC(=O)N4CCNC4=O)CC3)nc2c1 ZINC000105818693 436579675 /nfs/dbraw/zinc/57/96/75/436579675.db2.gz FGQHEIOGYYWMGP-UHFFFAOYSA-N 0 0 343.387 0.810 10 0 ECAERN CC(C)C(=O)N1CCCN(C(=O)NC[C@@H]2CN(C)CCO2)CC1 ZINC000104797348 436563134 /nfs/dbraw/zinc/56/31/34/436563134.db2.gz UCZAGTHKIOHREP-CQSZACIVSA-N 0 0 326.441 0.217 10 0 ECAERN CN1CCO[C@H](CNC(=O)NCCC(=O)NCc2ccccc2)C1 ZINC000104798676 436564323 /nfs/dbraw/zinc/56/43/23/436564323.db2.gz PLIWKONTKSIOHV-OAHLLOKOSA-N 0 0 334.420 0.323 10 0 ECAERN CN1CCO[C@@H](CNC(=O)N2CCN(Cc3ccccc3)CC2)C1 ZINC000105282903 436571105 /nfs/dbraw/zinc/57/11/05/436571105.db2.gz LTYALGYNBWTBHU-KRWDZBQOSA-N 0 0 332.448 0.844 10 0 ECAERN CCCC(=O)N[C@@H]1CCCN(C(=O)NC[C@H]2CN(C)CCO2)C1 ZINC000105279385 436572090 /nfs/dbraw/zinc/57/20/90/436572090.db2.gz IKXMRRRRBQPZBJ-KGLIPLIRSA-N 0 0 326.441 0.407 10 0 ECAERN C[C@H](CNC(=O)C(=O)Nc1cc(F)c(F)cc1F)N1CCOCC1 ZINC000105529351 436575150 /nfs/dbraw/zinc/57/51/50/436575150.db2.gz RZBYQBVVBZDXMB-SECBINFHSA-N 0 0 345.321 0.879 10 0 ECAERN CCS(=O)(=O)NCCN1CCCN(c2ccc(C)nn2)CC1 ZINC000109328660 436624537 /nfs/dbraw/zinc/62/45/37/436624537.db2.gz QNLCTXWEFSVJEY-UHFFFAOYSA-N 0 0 327.454 0.236 10 0 ECAERN CCCN(CCC)C(=O)CN1CCN(c2ccc3nncn3n2)CC1 ZINC000105816908 436580331 /nfs/dbraw/zinc/58/03/31/436580331.db2.gz KPWFZVZTDFJKQJ-UHFFFAOYSA-N 0 0 345.451 0.895 10 0 ECAERN CCOc1ccnc(N2CCN(CC(=O)Nc3cc(C)no3)CC2)n1 ZINC000105868472 436583889 /nfs/dbraw/zinc/58/38/89/436583889.db2.gz RSNXGRBDYAIDFP-UHFFFAOYSA-N 0 0 346.391 0.932 10 0 ECAERN CN(C(=O)CN1CCN(C[C@@H](O)COc2ccccc2)CC1)C1CC1 ZINC000105894418 436584293 /nfs/dbraw/zinc/58/42/93/436584293.db2.gz JHVQZCAHMPJLGE-QGZVFWFLSA-N 0 0 347.459 0.665 10 0 ECAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)[C@H](C)NS(C)(=O)=O ZINC000105882107 436585370 /nfs/dbraw/zinc/58/53/70/436585370.db2.gz KQIWQEJBOYRYBK-CMPLNLGQSA-N 0 0 328.438 0.638 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)[C@@H]2Cc3ccccc3C(=O)O2)CC1 ZINC000106397987 436594082 /nfs/dbraw/zinc/59/40/82/436594082.db2.gz IOSUNHNBCGJSSW-ZBFHGGJFSA-N 0 0 332.400 0.683 10 0 ECAERN CC(C)c1nc2c(n1C)CCN(Cc1nc(N)nc(N(C)C)n1)C2 ZINC000106861019 436602775 /nfs/dbraw/zinc/60/27/75/436602775.db2.gz LYYYOQSECUCGRY-UHFFFAOYSA-N 0 0 330.440 0.935 10 0 ECAERN CNC(=O)Cn1cc(NC(=O)[C@H](Cc2ccccc2)N(C)C)cn1 ZINC000106909166 436605165 /nfs/dbraw/zinc/60/51/65/436605165.db2.gz RPYBWSOFQZRLEV-HNNXBMFYSA-N 0 0 329.404 0.741 10 0 ECAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccnc2ccnn21 ZINC000108719224 436620597 /nfs/dbraw/zinc/62/05/97/436620597.db2.gz ZFNYZJWZBNPIIH-NSHDSACASA-N 0 0 337.405 0.872 10 0 ECAERN Cc1cc(C(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)c2c(=O)[nH]n(C)c2n1 ZINC000113231585 436636558 /nfs/dbraw/zinc/63/65/58/436636558.db2.gz AVKOWDYBVWLKSW-NWDGAFQWSA-N 0 0 329.404 0.879 10 0 ECAERN CC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCc3ncnn3C2)cc1 ZINC000113299149 436637177 /nfs/dbraw/zinc/63/71/77/436637177.db2.gz NITGLIOBYNEPGM-GFCCVEGCSA-N 0 0 335.389 0.530 10 0 ECAERN CCC[C@H](C(=O)OCC)N1CCN(c2ccc3nncn3n2)CC1 ZINC000114802821 436643640 /nfs/dbraw/zinc/64/36/40/436643640.db2.gz XZNAZSOLRHVAAY-CYBMUJFWSA-N 0 0 332.408 0.978 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NS(=O)(=O)c1c(C)nn(C)c1C)CC2 ZINC000114874324 436644393 /nfs/dbraw/zinc/64/43/93/436644393.db2.gz YTNWGTIRIHWJDZ-NSHDSACASA-N 0 0 338.437 0.484 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)[C@@H](C)NC(=O)c1ccoc1)CC2 ZINC000114867052 436644569 /nfs/dbraw/zinc/64/45/69/436644569.db2.gz PAVBMHQKMMKRHE-ZYHUDNBSSA-N 0 0 331.376 0.683 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)c1cnn3ccc(C)nc13)CC2 ZINC000114866522 436644616 /nfs/dbraw/zinc/64/46/16/436644616.db2.gz YKJBVLIQRUFJMK-LLVKDONJSA-N 0 0 325.376 0.936 10 0 ECAERN CCS(=O)(=O)N1CCN(C[C@@H](O)COCc2ccccc2)CC1 ZINC000114562691 436642845 /nfs/dbraw/zinc/64/28/45/436642845.db2.gz KIIPSONEQDGIOS-MRXNPFEDSA-N 0 0 342.461 0.531 10 0 ECAERN Cn1cc([C@@H]2CCN(CC(=O)Nc3ccccc3C(N)=O)C2)cn1 ZINC000116312381 436650182 /nfs/dbraw/zinc/65/01/82/436650182.db2.gz PSSSNCCJOWMZIS-GFCCVEGCSA-N 0 0 327.388 0.947 10 0 ECAERN CCc1nccn1[C@@H]1CCCN(C(=O)CCS(=O)(=O)N(C)C)C1 ZINC000136958640 436654010 /nfs/dbraw/zinc/65/40/10/436654010.db2.gz NLQJOLVVMTZRBX-CYBMUJFWSA-N 0 0 342.465 0.891 10 0 ECAERN CN1CCn2nc(C(=O)NC[C@@H]3CC(=O)N(C4CCCC4)C3)cc2C1 ZINC000065382108 436656112 /nfs/dbraw/zinc/65/61/12/436656112.db2.gz LSZFCMVHRCTFRJ-ZDUSSCGKSA-N 0 0 345.447 0.849 10 0 ECAERN O=C1c2cccc(NCC3CC3)c2C(=O)N1[C@@H]1CCC(=O)NC1=O ZINC000117652863 436657176 /nfs/dbraw/zinc/65/71/76/436657176.db2.gz BHAWWZJZGQTPRR-GFCCVEGCSA-N 0 0 327.340 0.910 10 0 ECAERN CCO[C@@H]1C[C@@H](N(C)C(=O)Cn2ccc(=O)n(C)c2=O)C12CCCC2 ZINC000150792200 436690242 /nfs/dbraw/zinc/69/02/42/436690242.db2.gz CTHWHSFTBUWBEK-ZIAGYGMSSA-N 0 0 349.431 0.743 10 0 ECAERN Cn1nccc1C1CCN(CC(=O)NC(=O)NCC(F)(F)F)CC1 ZINC000195502474 436692727 /nfs/dbraw/zinc/69/27/27/436692727.db2.gz KABNOUXGKLJVBY-UHFFFAOYSA-N 0 0 347.341 0.988 10 0 ECAERN O=C(Nc1cccc(Cl)c1-n1cncn1)C(=O)N1CCC[C@H]1CO ZINC000121023794 436705099 /nfs/dbraw/zinc/70/50/99/436705099.db2.gz BLFQHXLSVMUGLA-JTQLQIEISA-N 0 0 349.778 0.843 10 0 ECAERN O=C(NC[C@H](O)CN1CCOCC1)Nc1ccccc1-n1cccn1 ZINC000119998938 436675774 /nfs/dbraw/zinc/67/57/74/436675774.db2.gz OMMSAICRNPVMIR-AWEZNQCLSA-N 0 0 345.403 0.687 10 0 ECAERN COCCN1CCN(C(=O)C2=C(C)N(C)c3ncnn3[C@@H]2C)C[C@@H]1C ZINC000195268522 436685143 /nfs/dbraw/zinc/68/51/43/436685143.db2.gz CUAJNRBGFWIOOC-GXTWGEPZSA-N 0 0 348.451 0.742 10 0 ECAERN CC(C)C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1ccc(CC(N)=O)cc1 ZINC000121856533 436725917 /nfs/dbraw/zinc/72/59/17/436725917.db2.gz NHAGSTYGXMNZJW-HNNXBMFYSA-N 0 0 348.447 0.745 10 0 ECAERN C[C@H](C(=O)N(C)CC(=O)NC1CC1)N1CC[C@H](Oc2cccnc2)C1 ZINC000152301363 436726543 /nfs/dbraw/zinc/72/65/43/436726543.db2.gz QUYUFCBAYXFNFV-CJNGLKHVSA-N 0 0 346.431 0.660 10 0 ECAERN COCCOCCS(=O)(=O)N1CCC[C@@H](n2cc(C)cn2)C1 ZINC000153678460 436759449 /nfs/dbraw/zinc/75/94/49/436759449.db2.gz PECFTMTXVWWXDU-CQSZACIVSA-N 0 0 331.438 0.821 10 0 ECAERN Cn1ccnc1-c1csc(NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2O)n1 ZINC000127871158 436808181 /nfs/dbraw/zinc/80/81/81/436808181.db2.gz NSCPKDMSHSTEAU-KOLCDFICSA-N 0 0 349.416 0.902 10 0 ECAERN CC[C@@H]1CN(C(=O)C(=O)Nc2ccc(F)cn2)CCN1C[C@H](C)O ZINC000248730342 436809180 /nfs/dbraw/zinc/80/91/80/436809180.db2.gz KJKRIJKCBFEAOB-WCQYABFASA-N 0 0 338.383 0.463 10 0 ECAERN Cc1cc(C)nc(NC(=O)C(=O)N2CCN(C[C@H](C)O)[C@@H](C)C2)c1 ZINC000248726236 436809943 /nfs/dbraw/zinc/80/99/43/436809943.db2.gz HVXKZXBGGSLXCQ-KBPBESRZSA-N 0 0 334.420 0.550 10 0 ECAERN CCO[C@@H]1C[C@H](N(C)C(=O)Cn2ccc(=O)[nH]c2=O)C12CCCC2 ZINC000156222070 436811769 /nfs/dbraw/zinc/81/17/69/436811769.db2.gz WWRDVZUWGMLUFP-QWHCGFSZSA-N 0 0 335.404 0.733 10 0 ECAERN CCc1cc(NC(=O)C(=O)N2CC[C@@H](c3cnn(C)c3)C2)n(C)n1 ZINC000126100508 436782272 /nfs/dbraw/zinc/78/22/72/436782272.db2.gz OQWIYKYVMRJTNE-LLVKDONJSA-N 0 0 330.392 0.671 10 0 ECAERN Cc1cnn(C[C@@H]2CN(S(=O)(=O)N3CCC[C@@H](C)C3)CCO2)c1 ZINC000246684206 436784753 /nfs/dbraw/zinc/78/47/53/436784753.db2.gz VSFBXBQVAACVAF-UKRRQHHQSA-N 0 0 342.465 0.869 10 0 ECAERN Cc1cc(F)ccc1NC(=O)C(=O)N1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000246891767 436787223 /nfs/dbraw/zinc/78/72/23/436787223.db2.gz FDRJBDWYOLDTSI-OLZOCXBDSA-N 0 0 337.395 0.986 10 0 ECAERN CCn1cc(CN2CCCN(C(=O)c3cc[nH]c(=O)c3)CC2)cn1 ZINC000155792930 436802773 /nfs/dbraw/zinc/80/27/73/436802773.db2.gz OSFHFWTWQRULTC-UHFFFAOYSA-N 0 0 329.404 0.939 10 0 ECAERN Cc1cnn(C[C@H]2CN(C[C@H](O)COC3CCOCC3)CCO2)c1 ZINC000127518766 436803355 /nfs/dbraw/zinc/80/33/55/436803355.db2.gz QMCMDMDVUZRGSY-DOTOQJQBSA-N 0 0 339.436 0.449 10 0 ECAERN CC(C)n1nnnc1CNc1ccc(S(=O)(=O)CCO)cc1 ZINC000159008368 436851034 /nfs/dbraw/zinc/85/10/34/436851034.db2.gz GWVNFCABDIPPCA-UHFFFAOYSA-N 0 0 325.394 0.632 10 0 ECAERN C[C@H](NC(=O)NC[C@H]1CN(C)CCO1)c1cn(-c2ccccc2)nn1 ZINC000158964916 436851898 /nfs/dbraw/zinc/85/18/98/436851898.db2.gz HHACWAOUEHQYAG-ZFWWWQNUSA-N 0 0 344.419 0.958 10 0 ECAERN C[C@@H]1CN(C(=O)Cc2csc(-c3ccccn3)n2)C[C@H](C(N)=O)O1 ZINC000157425427 436827318 /nfs/dbraw/zinc/82/73/18/436827318.db2.gz WZUJTUKTFUUWHL-ZWNOBZJWSA-N 0 0 346.412 0.849 10 0 ECAERN C[C@@H]1CN(C(=O)c2cn(Cc3cccc(F)c3)nn2)C[C@H](C(N)=O)O1 ZINC000157375086 436827677 /nfs/dbraw/zinc/82/76/77/436827677.db2.gz PYKNEMWRANOLSU-QMTHXVAHSA-N 0 0 347.350 0.180 10 0 ECAERN Cc1cnn(CCNC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)c1 ZINC000129662465 436829247 /nfs/dbraw/zinc/82/92/47/436829247.db2.gz YAFMFPGELHFKMW-GOEBONIOSA-N 0 0 327.388 0.922 10 0 ECAERN Cc1ccc(S(=O)(=O)NCCNC(=O)C[C@H](O)C(C)C)s1 ZINC000162927933 436914608 /nfs/dbraw/zinc/91/46/08/436914608.db2.gz XKRFHLIOBSYJJY-NSHDSACASA-N 0 0 334.463 0.858 10 0 ECAERN COC[C@H](O)CCNC(=O)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000133759202 436883482 /nfs/dbraw/zinc/88/34/82/436883482.db2.gz XKGGSJOLVWADJZ-NWDGAFQWSA-N 0 0 325.413 0.413 10 0 ECAERN CC[C@@H](O)CN1CCN(C(=O)c2cc(-n3cccn3)ccn2)CC1 ZINC000134864166 436904514 /nfs/dbraw/zinc/90/45/14/436904514.db2.gz RMSMLPQZAXJZMO-OAHLLOKOSA-N 0 0 329.404 0.796 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NS(=O)(=O)c2ccc(OC)nc2)C1 ZINC000263483307 436967894 /nfs/dbraw/zinc/96/78/94/436967894.db2.gz LOARLUNERQJKHY-UHFFFAOYSA-N 0 0 343.405 0.306 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)N2CCC[C@@]2(CC)CO)C1 ZINC000263495046 436968142 /nfs/dbraw/zinc/96/81/42/436968142.db2.gz SNXVGGZEPNLGIF-ZUEPYMLJSA-N 0 0 327.425 0.870 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)N2CCCC[C@@H]2CCO)C1 ZINC000263482635 436968462 /nfs/dbraw/zinc/96/84/62/436968462.db2.gz OKHRZZGYPAZPON-ROKHWSDSSA-N 0 0 327.425 0.870 10 0 ECAERN C[C@H](CC(=O)NC[C@@H](C)N1CCOCC1)NC(=O)C1CCCC1 ZINC000171373936 436977711 /nfs/dbraw/zinc/97/77/11/436977711.db2.gz BZZFPZFNYMUBAD-ZIAGYGMSSA-N 0 0 325.453 0.908 10 0 ECAERN C[C@@H](NC(=O)Nc1ccc(C(N)=O)nc1)c1nnc2n1CCCC2 ZINC000164268975 436931056 /nfs/dbraw/zinc/93/10/56/436931056.db2.gz JTXLXPHBLUTQGF-SECBINFHSA-N 0 0 329.364 0.991 10 0 ECAERN C[C@H](OCC1CC1)C(=O)N1CCN(c2ccc3nncn3n2)CC1 ZINC000136410585 436931943 /nfs/dbraw/zinc/93/19/43/436931943.db2.gz LJEACMOMLVUSLO-LBPRGKRZSA-N 0 0 330.392 0.588 10 0 ECAERN COCc1ccc(C(=O)N2CCN(c3ccc4nncn4n3)CC2)o1 ZINC000136430603 436932437 /nfs/dbraw/zinc/93/24/37/436932437.db2.gz ZXROYQFMARIMAU-UHFFFAOYSA-N 0 0 342.359 0.826 10 0 ECAERN C[N@@H+](CC(=O)[O-])C[C@H]1CN(C(=O)COc2ccc(F)cc2)CCO1 ZINC000263008975 436947983 /nfs/dbraw/zinc/94/79/83/436947983.db2.gz YKDWNKDUMNYAPN-AWEZNQCLSA-N 0 0 340.351 0.448 10 0 ECAERN CCS(=O)(=O)CC(=O)N[C@H]1CCO[C@@H]1c1ccc(OC)nc1 ZINC000275288282 436951183 /nfs/dbraw/zinc/95/11/83/436951183.db2.gz AKWITPIETYOTFO-SMDDNHRTSA-N 0 0 328.390 0.471 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)N[C@@H]2CC(=O)N(C(C)C)C2)C1 ZINC000263221623 436956354 /nfs/dbraw/zinc/95/63/54/436956354.db2.gz KTXBRQTWEGYONC-OTTFEQOBSA-N 0 0 340.424 0.232 10 0 ECAERN COc1ccccc1N1CC[C@H](NC(=O)[C@@H]2CC(F)(F)CN2)C1=O ZINC000263237826 436957158 /nfs/dbraw/zinc/95/71/58/436957158.db2.gz OGBRTJRPXDUBGC-QWRGUYRKSA-N 0 0 339.342 0.914 10 0 ECAERN O=C(CNC(=O)c1ccccn1)N1CCC(Cn2cccn2)CC1 ZINC000172555002 437019311 /nfs/dbraw/zinc/01/93/11/437019311.db2.gz HRPCWXAEENPIDX-UHFFFAOYSA-N 0 0 327.388 0.947 10 0 ECAERN Cc1ccc(S(N)(=O)=O)cc1C(=O)NC[C@H]1CCCC[C@H]1O ZINC000172630711 437024215 /nfs/dbraw/zinc/02/42/15/437024215.db2.gz LGNPWXJUYLKZCY-BXUZGUMPSA-N 0 0 326.418 0.923 10 0 ECAERN O=C(Cc1ccccc1)NCCC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000172757303 437028737 /nfs/dbraw/zinc/02/87/37/437028737.db2.gz WPGDZOLWKQMLHV-QGZVFWFLSA-N 0 0 345.443 0.669 10 0 ECAERN O=c1[nH]c2ccc(S(=O)(=O)NCc3cn4c(n3)CCCC4)cc2[nH]1 ZINC000263771055 436986499 /nfs/dbraw/zinc/98/64/99/436986499.db2.gz KCEJSUWMMGIBBF-UHFFFAOYSA-N 0 0 347.400 0.868 10 0 ECAERN CS(=O)(=O)c1ccccc1S(=O)(=O)N1CCN2CCC[C@@H]2C1 ZINC000171770414 436987910 /nfs/dbraw/zinc/98/79/10/436987910.db2.gz WNDYXZKCKYHWQF-GFCCVEGCSA-N 0 0 344.458 0.559 10 0 ECAERN O=C(NCc1ccc2c(c1)OCCO2)N[C@@H]1CCc2ncnn2C1 ZINC000171865693 436989940 /nfs/dbraw/zinc/98/99/40/436989940.db2.gz DFILGBGYUCSSKN-GFCCVEGCSA-N 0 0 329.360 0.864 10 0 ECAERN O=C(CCc1ccco1)N1CCN(c2cncc3ncnn32)CC1 ZINC000275703441 437002743 /nfs/dbraw/zinc/00/27/43/437002743.db2.gz NSDGMNXOWGRHMT-UHFFFAOYSA-N 0 0 326.360 0.999 10 0 ECAERN Cc1nnc([C@H]2CN(CC(=O)NCc3ccc(F)cc3)CCO2)[nH]1 ZINC000173680752 437060164 /nfs/dbraw/zinc/06/01/64/437060164.db2.gz CFKVSLWNAPGXMK-CQSZACIVSA-N 0 0 333.367 0.942 10 0 ECAERN CC(C)c1nc([C@@H]2CCCN2C(=O)[C@H](C)NS(C)(=O)=O)no1 ZINC000173754053 437062857 /nfs/dbraw/zinc/06/28/57/437062857.db2.gz WZVFWVCOHPXHSS-UWVGGRQHSA-N 0 0 330.410 0.794 10 0 ECAERN O=C(NCCCNc1ccccn1)N1CC[C@H](N2CCOCC2)C1 ZINC000173840429 437065164 /nfs/dbraw/zinc/06/51/64/437065164.db2.gz OODRFFXSZOMGFC-HNNXBMFYSA-N 0 0 333.436 1.000 10 0 ECAERN C[C@H](NC(=O)Cn1ccc(=O)[nH]c1=O)c1cccc(-n2ccnc2)c1 ZINC000173928349 437069290 /nfs/dbraw/zinc/06/92/90/437069290.db2.gz LUKIQWBIRGGANR-LBPRGKRZSA-N 0 0 339.355 0.600 10 0 ECAERN Cc1cc(N2CCC[C@@H](NC(=O)c3nccnc3N)C2=O)n(C)n1 ZINC000174986503 437091592 /nfs/dbraw/zinc/09/15/92/437091592.db2.gz HZYNUAXZUSLIEH-SNVBAGLBSA-N 0 0 329.364 0.026 10 0 ECAERN COCCCS(=O)(=O)NCCN1CCC(c2cc[nH]n2)CC1 ZINC000175148574 437097984 /nfs/dbraw/zinc/09/79/84/437097984.db2.gz CTBXSPKTYDEAPP-UHFFFAOYSA-N 0 0 330.454 0.545 10 0 ECAERN NC(=O)[C@H]1COCCN1S(=O)(=O)c1c(Cl)cccc1Cl ZINC000179687623 303334505 /nfs/dbraw/zinc/33/45/05/303334505.db2.gz WYNICXQXGVVWEA-SECBINFHSA-N 0 0 339.200 0.868 10 0 ECAERN NC(=O)c1cnn2c1nccc2C(=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000132804265 303351247 /nfs/dbraw/zinc/35/12/47/303351247.db2.gz DCPBKTLEALNBEC-GFCCVEGCSA-N 0 0 339.359 0.919 10 0 ECAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)C(C)(C)NS(C)(=O)=O)CC2 ZINC000175520343 437106647 /nfs/dbraw/zinc/10/66/47/437106647.db2.gz XKUZLTPTAUHLCZ-SNVBAGLBSA-N 0 0 343.453 0.160 10 0 ECAERN NC(=O)[C@@H]1CN(c2nnnn2-c2ccccc2)C[C@H]1C(F)(F)F ZINC000299742763 437106979 /nfs/dbraw/zinc/10/69/79/437106979.db2.gz KECOZRYLPIPNKZ-NXEZZACHSA-N 0 0 326.282 0.762 10 0 ECAERN Cc1cc(C(=O)NC[C@H](O)CN2CCOCC2)c2ccccc2n1 ZINC000176438963 437144127 /nfs/dbraw/zinc/14/41/27/437144127.db2.gz DZSHSPHHJRRKDW-AWEZNQCLSA-N 0 0 329.400 0.966 10 0 ECAERN CCS(=O)(=O)NCCS(=O)(=O)N[C@@H](C)c1cccs1 ZINC000176543028 437146422 /nfs/dbraw/zinc/14/64/22/437146422.db2.gz HYUNTAASRBCTHM-VIFPVBQESA-N 0 0 326.465 0.668 10 0 ECAERN Cc1ccc([C@@H](CNC(=O)c2ccc(=O)[nH]n2)N2CCOCC2)s1 ZINC000176572406 437148820 /nfs/dbraw/zinc/14/88/20/437148820.db2.gz PAXHHWBFQCSGAQ-CYBMUJFWSA-N 0 0 348.428 0.943 10 0 ECAERN CS(=O)(=O)CC1(CC(=O)N2CC[C@@H](N3CCOCC3)C2)CC1 ZINC000176914059 437160855 /nfs/dbraw/zinc/16/08/55/437160855.db2.gz OXWMLVIZAKEFII-CYBMUJFWSA-N 0 0 330.450 0.134 10 0 ECAERN C[C@@H]1CN(C(=O)NCc2ccc(C(N)=O)cc2)C[C@H]1N1CCOCC1 ZINC000175677024 437113206 /nfs/dbraw/zinc/11/32/06/437113206.db2.gz HNGUJTFXAILHGI-CZUORRHYSA-N 0 0 346.431 0.648 10 0 ECAERN NC(=O)c1ccc(F)c(NC(=O)C(=O)N2CCN3CCCC[C@@H]3C2)c1 ZINC000177390440 437181681 /nfs/dbraw/zinc/18/16/81/437181681.db2.gz YTPAJSKCUSAJLG-GFCCVEGCSA-N 0 0 348.378 0.560 10 0 ECAERN O=C(CSC[C@@H](O)CO)NCc1ccccc1Cn1cccn1 ZINC000177409044 437183375 /nfs/dbraw/zinc/18/33/75/437183375.db2.gz NQIDLJXRILEAFM-HNNXBMFYSA-N 0 0 335.429 0.634 10 0 ECAERN CCn1cc(NC(=O)C(=O)N2CCN3CCCC[C@H]3C2)ccc1=O ZINC000177396684 437184282 /nfs/dbraw/zinc/18/42/82/437184282.db2.gz MYSFNJCINOSSFE-AWEZNQCLSA-N 0 0 332.404 0.503 10 0 ECAERN Cc1noc([C@@H](C)N2CCN(C(=O)C(=O)Nc3cccnc3)CC2)n1 ZINC000177622528 437191361 /nfs/dbraw/zinc/19/13/61/437191361.db2.gz YFYQIOBVDISVSJ-LLVKDONJSA-N 0 0 344.375 0.617 10 0 ECAERN COc1ccc(NC(=O)C(=O)N[C@@H]2CCc3ncnn3C2)cc1F ZINC000177626438 437191607 /nfs/dbraw/zinc/19/16/07/437191607.db2.gz DBVSAYROFHLNDV-SNVBAGLBSA-N 0 0 333.323 0.496 10 0 ECAERN Cn1ccc2ccc(NC(=O)C(=O)N[C@H]3CCc4ncnn4C3)cc21 ZINC000177628530 437191644 /nfs/dbraw/zinc/19/16/44/437191644.db2.gz CCPPRJVHSTUMAJ-ZDUSSCGKSA-N 0 0 338.371 0.840 10 0 ECAERN CNC(=O)[C@H](NC(=O)NCc1ccc(C(=O)N(C)C)cc1)C(C)C ZINC000178397628 437213716 /nfs/dbraw/zinc/21/37/16/437213716.db2.gz OWTRFCZNUYCQIB-CQSZACIVSA-N 0 0 334.420 0.958 10 0 ECAERN CCCN([C@H]1CCCN(c2cc(C)nn2C)C1=O)S(C)(=O)=O ZINC000328611813 437240026 /nfs/dbraw/zinc/24/00/26/437240026.db2.gz MSECOKJDLHBBKR-LBPRGKRZSA-N 0 0 328.438 0.896 10 0 ECAERN Cn1cnnc1[C@@H]1CN(CC(=O)N2CCc3ccccc32)CCO1 ZINC000328634933 437245234 /nfs/dbraw/zinc/24/52/34/437245234.db2.gz MZFGQAKLHSRBSV-HNNXBMFYSA-N 0 0 327.388 0.778 10 0 ECAERN CCn1ncc2ccc(NC(=O)NC[C@H](O)CN3CCOCC3)cc21 ZINC000179808100 437276171 /nfs/dbraw/zinc/27/61/71/437276171.db2.gz LZAOLBYASDJJCP-HNNXBMFYSA-N 0 0 347.419 0.871 10 0 ECAERN Cc1sc2ncc(C(=O)NC[C@@H]3CN(C)CCO3)c(=O)n2c1C ZINC000180107370 437280597 /nfs/dbraw/zinc/28/05/97/437280597.db2.gz GDQNEYYCMZQLFS-LLVKDONJSA-N 0 0 336.417 0.433 10 0 ECAERN Cc1nnc([C@@H]2CN(C(=O)C(=O)Nc3ccc(F)cc3)CCO2)[nH]1 ZINC000180225868 437282327 /nfs/dbraw/zinc/28/23/27/437282327.db2.gz LOKCLIYKFSIBDE-LBPRGKRZSA-N 0 0 333.323 0.791 10 0 ECAERN C[C@@H]1CN(C(=O)C(=O)Nc2ccc(F)nc2)C[C@@H]1N1CCOCC1 ZINC000180254949 437283548 /nfs/dbraw/zinc/28/35/48/437283548.db2.gz GPEGEEQQYVSEGW-YPMHNXCESA-N 0 0 336.367 0.338 10 0 ECAERN CC(C)n1nccc1NC(=O)C(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000180258693 437285842 /nfs/dbraw/zinc/28/58/42/437285842.db2.gz NRYUXEGCVKOREP-UONOGXRCSA-N 0 0 349.435 0.582 10 0 ECAERN CCc1nn(C)cc1C(=O)N[C@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000180330547 437287039 /nfs/dbraw/zinc/28/70/39/437287039.db2.gz XHCMTXDVQLTHIS-AWEZNQCLSA-N 0 0 344.419 0.950 10 0 ECAERN CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1c[nH]nc1-c1ccccc1 ZINC000180617906 437296803 /nfs/dbraw/zinc/29/68/03/437296803.db2.gz SMMOUIXAMLUMOX-CYBMUJFWSA-N 0 0 341.371 0.752 10 0 ECAERN CNC(=O)[C@H](NC(=O)N1CCC(CC(=O)N(C)C)CC1)C(C)C ZINC000183114645 437374846 /nfs/dbraw/zinc/37/48/46/437374846.db2.gz PCTQOSWTKBZTJJ-CQSZACIVSA-N 0 0 326.441 0.657 10 0 ECAERN COC[C@@H](O)CCNC(=O)N[C@H]1CCc2nnc(C(C)C)n2C1 ZINC000181720476 437327435 /nfs/dbraw/zinc/32/74/35/437327435.db2.gz LPRZFCWJMDIOBD-RYUDHWBXSA-N 0 0 325.413 0.413 10 0 ECAERN Cc1cc(N2CCC[C@@H](NC(=O)N[C@H](C)c3nc[nH]n3)C2=O)n(C)n1 ZINC000183154691 437377149 /nfs/dbraw/zinc/37/71/49/437377149.db2.gz ZIHHKYBTGIXASQ-GHMZBOCLSA-N 0 0 346.395 0.402 10 0 ECAERN CCCCOc1cccc(CNC(=O)CN2C[C@@H](O)C[C@@H]2CO)c1 ZINC000185131421 437428076 /nfs/dbraw/zinc/42/80/76/437428076.db2.gz FTJXZJOVLURAOP-CVEARBPZSA-N 0 0 336.432 0.909 10 0 ECAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)NCC(=O)NCC3CC3)C2)n1 ZINC000183800426 437390207 /nfs/dbraw/zinc/39/02/07/437390207.db2.gz OKPRGYVUQKJPCF-OAHLLOKOSA-N 0 0 348.451 0.843 10 0 ECAERN Cc1cc(C)cc(OCCN(C)C(=O)CN2C[C@@H](O)C[C@@H]2CO)c1 ZINC000185176290 437431091 /nfs/dbraw/zinc/43/10/91/437431091.db2.gz GCMLOQOWIHURFW-CVEARBPZSA-N 0 0 336.432 0.568 10 0 ECAERN COCC(=O)NC1CN(C(=O)c2cnn(-c3ccc(F)cc3)c2C)C1 ZINC000185226908 437433113 /nfs/dbraw/zinc/43/31/13/437433113.db2.gz DHGOIHXVNSYZJX-UHFFFAOYSA-N 0 0 346.362 0.907 10 0 ECAERN COCC(=O)NC1CN(C(=O)c2cnc(-c3cnn(C)c3)s2)C1 ZINC000185302951 437434201 /nfs/dbraw/zinc/43/42/01/437434201.db2.gz UISOTFBATLDDDC-UHFFFAOYSA-N 0 0 335.389 0.131 10 0 ECAERN COCC(=O)NC1CN(C(=O)NC[C@H](c2cccnc2)C(C)C)C1 ZINC000185617060 437444587 /nfs/dbraw/zinc/44/45/87/437444587.db2.gz CBKVCBOZNOGNLI-HNNXBMFYSA-N 0 0 334.420 0.978 10 0 ECAERN C[C@H]1CN(C(=O)c2cc(OC(F)F)n(C)n2)C[C@@H]1N1CCOCC1 ZINC000185712024 437449170 /nfs/dbraw/zinc/44/91/70/437449170.db2.gz JGFPVMQQPYJIHT-JQWIXIFHSA-N 0 0 344.362 0.814 10 0 ECAERN C[C@H](CNC(=O)N1CCC(Cn2cncn2)CC1)N1CCOCC1 ZINC000186165429 437462668 /nfs/dbraw/zinc/46/26/68/437462668.db2.gz NGTUYIKDLLOTAM-CQSZACIVSA-N 0 0 336.440 0.420 10 0 ECAERN CCN(C)C(=O)CNC(=O)N1CCO[C@@H](Cn2nc(C)cc2C)C1 ZINC000186208144 437465000 /nfs/dbraw/zinc/46/50/00/437465000.db2.gz XTAJYIHZEAVXFH-CQSZACIVSA-N 0 0 337.424 0.389 10 0 ECAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)NCc1cc(C(N)=O)co1)CC2 ZINC000187191447 437494818 /nfs/dbraw/zinc/49/48/18/437494818.db2.gz OSARFBJKIBTOPN-NSHDSACASA-N 0 0 346.391 0.908 10 0 ECAERN C[C@@H](NC(=O)N1CC(NC(=O)C2CC2)C1)C(=O)N1CCCC[C@@H]1C ZINC000187165053 437495546 /nfs/dbraw/zinc/49/55/46/437495546.db2.gz KMITUTXOCAGFER-NWDGAFQWSA-N 0 0 336.436 0.696 10 0 ECAERN C[C@H](NS(C)(=O)=O)C(=O)N1C[C@H](CO)[C@H](c2ccsc2)C1 ZINC000187588893 437508387 /nfs/dbraw/zinc/50/83/87/437508387.db2.gz UXNLEEYBDFIDCN-WCQGTBRESA-N 0 0 332.447 0.220 10 0 ECAERN COCC(=O)NC1CN(C(=O)NCCc2c[nH]c3ccccc23)C1 ZINC000188154101 437530506 /nfs/dbraw/zinc/53/05/06/437530506.db2.gz NILSOGDDOHGZFM-UHFFFAOYSA-N 0 0 330.388 0.867 10 0 ECAERN Cc1[nH]c2ccnn2c(=O)c1CC(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188508560 437553676 /nfs/dbraw/zinc/55/36/76/437553676.db2.gz ZWCOIAOMISMRAU-UHFFFAOYSA-N 0 0 343.387 0.001 10 0 ECAERN CC(C)CC(=O)N[C@@H](C(=O)N1CCN(CCO)[C@@H](C)C1)C(C)C ZINC000188777360 437572078 /nfs/dbraw/zinc/57/20/78/437572078.db2.gz MDGONXKLUSTGCM-GOEBONIOSA-N 0 0 327.469 0.698 10 0 ECAERN CS(=O)(=O)CCNC(=O)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000188857185 437576050 /nfs/dbraw/zinc/57/60/50/437576050.db2.gz HBLWRGWVPOMXMD-RYUDHWBXSA-N 0 0 332.447 0.510 10 0 ECAERN COc1cc(S(=O)(=O)N[C@H]2CCc3ncnn3C2)ccc1F ZINC000190655927 437633946 /nfs/dbraw/zinc/63/39/46/437633946.db2.gz XULFIEIYWVXWQU-VIFPVBQESA-N 0 0 326.353 0.719 10 0 ECAERN FC(F)(F)Cn1nnnc1CN1CCC[C@H](Cn2cncn2)C1 ZINC000190893412 437640915 /nfs/dbraw/zinc/64/09/15/437640915.db2.gz JLKMSZMDVVUOLS-JTQLQIEISA-N 0 0 330.318 0.739 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)CC1 ZINC000365378716 437905547 /nfs/dbraw/zinc/90/55/47/437905547.db2.gz HSYOCMXFIMMCFY-WOSRLPQWSA-N 0 0 341.477 0.356 10 0 ECAERN C[C@@H](O)CNS(=O)(=O)C[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000521396663 439117285 /nfs/dbraw/zinc/11/72/85/439117285.db2.gz CDBCDKSZIYJEIW-ZIAGYGMSSA-N 0 0 340.445 0.839 10 0 ECAERN Cc1nc(CN2C[C@@H](F)C[C@H]2CNC(=O)NC[C@H]2CCOC2)no1 ZINC000583621510 439488663 /nfs/dbraw/zinc/48/86/63/439488663.db2.gz VHBMFBLXUCFREC-AGIUHOORSA-N 0 0 341.387 0.626 10 0 ECAERN O=C(Cc1cnn(-c2ccccc2)c1)N1CC[C@](O)(c2cn[nH]n2)C1 ZINC000583618457 439488881 /nfs/dbraw/zinc/48/88/81/439488881.db2.gz XKVGNENJQZBDFE-QGZVFWFLSA-N 0 0 338.371 0.653 10 0 ECAERN Cn1nccc1[C@H]1OCC[C@@H]1NC(=O)Cn1nnc2ccccc21 ZINC000583620059 439488891 /nfs/dbraw/zinc/48/88/91/439488891.db2.gz QDHPPBHGNNMPRJ-LRDDRELGSA-N 0 0 326.360 0.811 10 0 ECAERN Cc1nc(CN2C[C@@H](F)C[C@H]2CNC(=O)NC[C@@H]2CCOC2)no1 ZINC000583621511 439489706 /nfs/dbraw/zinc/48/97/06/439489706.db2.gz VHBMFBLXUCFREC-AVGNSLFASA-N 0 0 341.387 0.626 10 0 ECAERN C[C@H]1CN(C(=O)OC(C)(C)C)CCN1[C@H]1C[NH2+]C[C@@H](C(=O)[O-])C1 ZINC000536957212 439539684 /nfs/dbraw/zinc/53/96/84/439539684.db2.gz CMPIPHCAUVTXMR-RWMBFGLXSA-N 0 0 327.425 0.990 10 0 ECAERN NC(=O)c1cc(N)n(-c2cc(I)ccn2)n1 ZINC000584619119 439604965 /nfs/dbraw/zinc/60/49/65/439604965.db2.gz DJLWYIYDQDXAHR-UHFFFAOYSA-N 0 0 329.101 0.553 10 0 ECAERN CNC(=O)[C@@]1(COC)CCCN1S(=O)(=O)c1cc(C)oc1C ZINC000643704043 440272749 /nfs/dbraw/zinc/27/27/49/440272749.db2.gz IYERKHGZBJRPMH-AWEZNQCLSA-N 0 0 330.406 0.812 10 0 ECAERN C[C@H](OCCc1ccccc1)C(=O)N1C[C@@H](O)[C@H](n2ccnn2)C1 ZINC000630011141 440829525 /nfs/dbraw/zinc/82/95/25/440829525.db2.gz OPOOMBVVEJLQLZ-NUEKZKHPSA-N 0 0 330.388 0.670 10 0 ECAERN O=C1NCC[C@H]1NS(=O)(=O)c1sccc1Br ZINC000657029886 440928112 /nfs/dbraw/zinc/92/81/12/440928112.db2.gz JFMCDKURZOWGHJ-ZCFIWIBFSA-N 0 0 325.209 0.677 10 0 ECAERN O=C([O-])[C@H]1CC[C@H](C(=O)N2CCN(c3ccc(F)cn3)CC2)C[NH2+]1 ZINC000657213402 440988145 /nfs/dbraw/zinc/98/81/45/440988145.db2.gz NFXUXYVOEWUWJE-WCQYABFASA-N 0 0 336.367 0.322 10 0 ECAERN Cc1cc(C)n(Cc2nnc(N3CC[C@@H](N4CCOCC4)C3)n2C)n1 ZINC000328693606 320727875 /nfs/dbraw/zinc/72/78/75/320727875.db2.gz FSDKLSIQQRGMCO-OAHLLOKOSA-N 0 0 345.451 0.588 10 0 ECAERN Cn1nncc1C(=O)N1CCNC(=O)[C@H]1Cc1nc2ccccc2o1 ZINC000329481439 320774921 /nfs/dbraw/zinc/77/49/21/320774921.db2.gz DKQHXDGOWCAQOJ-LLVKDONJSA-N 0 0 340.343 0.980 10 0 ECAERN CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)c2cnn3ccncc23)C1 ZINC000329510918 320776011 /nfs/dbraw/zinc/77/60/11/320776011.db2.gz BWMDYGITDCGGFC-NSHDSACASA-N 0 0 337.405 0.272 10 0 ECAERN Cc1n[nH]c(C)c1[C@@H]1COCCN1C(=O)[C@@H]1OC[C@@H]2COCC[C@@H]12 ZINC000329565239 320778623 /nfs/dbraw/zinc/77/86/23/320778623.db2.gz KJQRSYSUPWFEEE-KNCOVGOOSA-N 0 0 335.404 0.978 10 0 ECAERN CC(C)[C@H]1CCO[C@H]1C(=O)N(C)C1CCN(S(C)(=O)=O)CC1 ZINC000329609593 320781256 /nfs/dbraw/zinc/78/12/56/320781256.db2.gz BVTGNLJZNBTNAL-ZIAGYGMSSA-N 0 0 332.466 0.930 10 0 ECAERN Cc1ccn(-c2ccc(N3CCC[C@](O)(Cn4ccnn4)C3)nn2)n1 ZINC000343574381 321135672 /nfs/dbraw/zinc/13/56/72/321135672.db2.gz DKAUUBVORPEUDX-MRXNPFEDSA-N 0 0 340.391 0.594 10 0 ECAERN CCOC(=O)[C@H]1CCCN(C(=O)[C@]2(O)CCCN(C(C)=O)C2)C1 ZINC000347237283 321234656 /nfs/dbraw/zinc/23/46/56/321234656.db2.gz PIFWCIWDMQRCNN-BBRMVZONSA-N 0 0 326.393 0.162 10 0 ECAERN COC[C@@H]1C[C@@H](OC)CN1C(=O)Cn1nnc(-c2ccc(C)cc2)n1 ZINC000348415213 321274318 /nfs/dbraw/zinc/27/43/18/321274318.db2.gz NDFNSLOLNDVVDX-LSDHHAIUSA-N 0 0 345.403 0.911 10 0 ECAERN COC[C@H]1CN(C(=O)N[C@@H]2CCCC[C@H]2S(C)(=O)=O)C[C@@H](C)O1 ZINC000366523311 321670738 /nfs/dbraw/zinc/67/07/38/321670738.db2.gz TUKUEDWOYWNVIK-AAVRWANBSA-N 0 0 348.465 0.788 10 0 ECAERN CNC(=O)c1ccc(C)c(NC(=O)C(=O)NCCn2cc(C)cn2)c1 ZINC000172312260 517967940 /nfs/dbraw/zinc/96/79/40/517967940.db2.gz DBFCISRYLULZTE-UHFFFAOYSA-N 0 0 343.387 0.614 10 0 ECAERN O=C(NCCNC(=O)c1ccc(F)cc1)N[C@H]1CCc2ncnn2C1 ZINC000171869280 534352798 /nfs/dbraw/zinc/35/27/98/534352798.db2.gz WZPSWPYXCKVXAO-ZDUSSCGKSA-N 0 0 346.366 0.461 10 0 ECAERN CC(=O)NC1CN(C(=O)C[C@@H]2CN(Cc3ccccc3)CCO2)C1 ZINC000191481073 526706385 /nfs/dbraw/zinc/70/63/85/526706385.db2.gz QXXXEHUVHAQOKC-QGZVFWFLSA-N 0 0 331.416 0.624 10 0 ECAERN CCCN(C)S(=O)(=O)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000178696502 527855063 /nfs/dbraw/zinc/85/50/63/527855063.db2.gz OFDDQLOGJDQNTC-MRXNPFEDSA-N 0 0 341.477 0.924 10 0 ECAERN CCOc1cc(C)nc(N2CCN(C(=O)CCn3ccnn3)CC2)n1 ZINC000171810257 528254840 /nfs/dbraw/zinc/25/48/40/528254840.db2.gz VGHRQJKBUYACDT-UHFFFAOYSA-N 0 0 345.407 0.514 10 0 ECAERN CC(C)c1nnc2n1C[C@@H](NC(=O)CNC(=O)c1cccnc1)CC2 ZINC000177837859 528472924 /nfs/dbraw/zinc/47/29/24/528472924.db2.gz IOIGKEKVDFHCFI-ZDUSSCGKSA-N 0 0 342.403 0.658 10 0 ECAERN CCCCN1CCOC[C@H]1C(=O)N[C@@H](C)C(=O)NCc1ccco1 ZINC000184333926 528482622 /nfs/dbraw/zinc/48/26/22/528482622.db2.gz AUQPHGVKMQDWEV-ZFWWWQNUSA-N 0 0 337.420 0.901 10 0 ECAERN CCCc1ccc(S(=O)(=O)N2CC(NC(=O)COC)C2)cc1 ZINC000187714593 528625852 /nfs/dbraw/zinc/62/58/52/528625852.db2.gz RPXDXGMZIKXDJJ-UHFFFAOYSA-N 0 0 326.418 0.775 10 0 ECAERN CC(C)Cn1cnc(S(=O)(=O)N2CC(NC(=O)C3CC3)C2)c1 ZINC000187919390 528737598 /nfs/dbraw/zinc/73/75/98/528737598.db2.gz DFFFOJXWGQIJKU-UHFFFAOYSA-N 0 0 326.422 0.438 10 0 ECAERN CCCS(=O)(=O)CC(=O)N1CCO[C@@H](c2cnn(CC)c2)C1 ZINC000191717771 528796102 /nfs/dbraw/zinc/79/61/02/528796102.db2.gz QCWOTESWMRKLQQ-CYBMUJFWSA-N 0 0 329.422 0.628 10 0 ECAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCc1cccc(CO)c1 ZINC000171508659 528807287 /nfs/dbraw/zinc/80/72/87/528807287.db2.gz PNNLRESZXCJDBD-OAHLLOKOSA-N 0 0 340.445 0.999 10 0 ECAERN Cc1cnn(Cc2cc(C(=O)NC[C@H](C)N3CCOCC3)no2)c1 ZINC000119040283 545745243 /nfs/dbraw/zinc/74/52/43/545745243.db2.gz SGXKQPLBVBOCPG-ZDUSSCGKSA-N 0 0 333.392 0.678 10 0 ECAERN O=C(NC[C@H](O)CN1CCOCC1)c1c(F)c(F)cc(F)c1F ZINC000132531104 545792327 /nfs/dbraw/zinc/79/23/27/545792327.db2.gz BNHYVPCKRFYMLF-QMMMGPOBSA-N 0 0 336.285 0.666 10 0 ECAERN C[C@@H](CNC(=O)CSc1nnc2ccccn21)N1CCOCC1 ZINC000183079668 545891263 /nfs/dbraw/zinc/89/12/63/545891263.db2.gz JDCJNYAZQLZECO-LBPRGKRZSA-N 0 0 335.433 0.658 10 0 ECAERN Cc1ccccc1C(=O)N[C@H](C(=O)N1CC[C@@H](CO)[C@H](O)C1)C(C)C ZINC000191984586 545909367 /nfs/dbraw/zinc/90/93/67/545909367.db2.gz MZCIHZWQENQMOE-UAGQMJEPSA-N 0 0 348.443 0.951 10 0 ECAERN O=C(c1ccn(-c2ccccc2)n1)N1CC[C@@](O)(Cn2ccnn2)C1 ZINC000671498108 548161427 /nfs/dbraw/zinc/16/14/27/548161427.db2.gz BOEYAVCVIVFAEG-KRWDZBQOSA-N 0 0 338.371 0.741 10 0 ECAERN O[C@]1(Cn2ccnn2)CCN(Cc2nnc(-c3ccccc3)o2)C1 ZINC000671554097 548182817 /nfs/dbraw/zinc/18/28/17/548182817.db2.gz MUTXBTIXAUJECG-MRXNPFEDSA-N 0 0 326.360 0.965 10 0 ECAERN Cc1cccc(CNC(=O)CN2CC[C@@](O)(Cn3ccnn3)C2)c1 ZINC000671554468 548184322 /nfs/dbraw/zinc/18/43/22/548184322.db2.gz AJXCPLKAZPDXCW-KRWDZBQOSA-N 0 0 329.404 0.340 10 0 ECAERN CCn1cc(O[C@@H]2COC[C@@H]2NC(=O)Cc2ncccc2F)cn1 ZINC000685940077 549726993 /nfs/dbraw/zinc/72/69/93/549726993.db2.gz KSYOTCCSLYVWEV-LSDHHAIUSA-N 0 0 334.351 0.942 10 0 ECAERN CN1CCS(=O)(=O)C[C@H]1CC(=O)N1CCC(=O)C[C@@H]1C1CC1 ZINC000891810701 586197743 /nfs/dbraw/zinc/19/77/43/586197743.db2.gz VROJNPZPONWXMY-TZMCWYRMSA-N 0 0 328.434 0.075 10 0 ECAERN O=C(c1cn([C@@H]2COC[C@H]2O)nn1)N1CC=C(C(F)(F)F)CC1 ZINC000888093603 586348533 /nfs/dbraw/zinc/34/85/33/586348533.db2.gz JQBDEVZJGFOGHQ-GHMZBOCLSA-N 0 0 332.282 0.545 10 0 ECAERN COc1c(C(=O)N2CC[C@H](c3cc(=O)[nH]c(N(C)C)n3)C2)cnn1C ZINC000888095238 586349638 /nfs/dbraw/zinc/34/96/38/586349638.db2.gz UXRIXTUORDVTGR-JTQLQIEISA-N 0 0 346.391 0.620 10 0 ECAERN CNC(=O)[C@H]1CC(=O)N(C2CN(C(=O)C3Cc4ccccc4C3)C2)C1 ZINC000888098082 586349831 /nfs/dbraw/zinc/34/98/31/586349831.db2.gz CSJMUSOQIGGOCZ-HNNXBMFYSA-N 0 0 341.411 0.207 10 0 ECAERN CNC(=O)[C@@H]1CC(=O)N(C2CN(C(=O)c3cccc4c3CCC4)C2)C1 ZINC000888098480 586350064 /nfs/dbraw/zinc/35/00/64/586350064.db2.gz MCOMJLFZVHPZJI-CYBMUJFWSA-N 0 0 341.411 0.594 10 0 ECAERN Cn1nc(C[C@H]2CCCC[C@H]2NC(=O)C2CCOCC2)n(C)c1=O ZINC000888099349 586350491 /nfs/dbraw/zinc/35/04/91/586350491.db2.gz VXBMHTUQYOOYNI-ZIAGYGMSSA-N 0 0 336.436 0.763 10 0 ECAERN Cn1cnnc1[C@H]1CN(C(=O)c2ccc3c(n2)CCCN3)CCO1 ZINC000898174998 586405977 /nfs/dbraw/zinc/40/59/77/586405977.db2.gz HHFXAUDYLCUUQF-CQSZACIVSA-N 0 0 328.376 0.782 10 0 ECAERN Cc1nnc2n1C[C@@H](C(N)=O)N(C(=O)c1ccc(C)c3c1CCC3)C2 ZINC000818346596 587423968 /nfs/dbraw/zinc/42/39/68/587423968.db2.gz FPPSZHUHDNZDRO-HNNXBMFYSA-N 0 0 339.399 0.894 10 0 ECAERN Cc1nnc2n1C[C@@H](C(N)=O)N(C(=O)CCc1ccc(F)cc1F)C2 ZINC000818350541 587424683 /nfs/dbraw/zinc/42/46/83/587424683.db2.gz LHMPPUFDVHPGRO-ZDUSSCGKSA-N 0 0 349.341 0.694 10 0 ECAERN C[C@@H]1CN(C)C[C@H](C(=O)NCC[C@]2(O)C(=O)Nc3ccccc32)O1 ZINC000829012313 588215017 /nfs/dbraw/zinc/21/50/17/588215017.db2.gz ABAKRUFWTJDOOT-JDSLSITLSA-N 0 0 333.388 0.052 10 0 ECAERN CCc1noc([C@H](C)N2CCN(S(=O)(=O)N(C)C(C)C)CC2)n1 ZINC000112093478 589577451 /nfs/dbraw/zinc/57/74/51/589577451.db2.gz RDDIUFVYHWJEGD-LBPRGKRZSA-N 0 0 345.469 0.896 10 0 ECAERN COCCc1noc(CN(C)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)n1 ZINC000122561888 589964122 /nfs/dbraw/zinc/96/41/22/589964122.db2.gz USMWYODYIQGWLZ-RYUDHWBXSA-N 0 0 334.376 0.599 10 0 ECAERN CCCC(=O)N[C@@H]1CCCN(Cn2nc(CO)n(C)c2=S)C1 ZINC000120441857 590135296 /nfs/dbraw/zinc/13/52/96/590135296.db2.gz PTFJRCSWHCTWHE-LLVKDONJSA-N 0 0 327.454 0.782 10 0 ECAERN O=C(C[C@H]1CS(=O)(=O)CCN1)N1CCC[C@H](C(F)(F)F)C1 ZINC000126557736 590468089 /nfs/dbraw/zinc/46/80/89/590468089.db2.gz XEPVBBJDHVCUCL-UWVGGRQHSA-N 0 0 328.356 0.564 10 0 ECAERN Cc1cc(CC(=O)NC[C@@H]2OCCN(C)[C@H]2c2ccnn2C)no1 ZINC000886027166 590786614 /nfs/dbraw/zinc/78/66/14/590786614.db2.gz LGRBYXYWOUSDTH-HOCLYGCPSA-N 0 0 333.392 0.447 10 0 ECAERN CCN1C(=O)CO[C@@H](CNC(=O)c2cc(F)c[nH]2)[C@@H]1c1nccn1C ZINC000886027044 590787015 /nfs/dbraw/zinc/78/70/15/590787015.db2.gz AYYDMAAHLQVIRX-GXTWGEPZSA-N 0 0 349.366 0.606 10 0 ECAERN CO[C@@H]1CN(C(=O)Cc2c[nH]c3ncccc23)C[C@H]1c1cn(C)nn1 ZINC000886077850 590791584 /nfs/dbraw/zinc/79/15/84/590791584.db2.gz HSRHZQGUZPXGPY-DZGCQCFKSA-N 0 0 340.387 0.875 10 0 ECAERN Cn1cnnc1C[C@]1(O)CCCN(C(=O)Cn2cc(Cl)cn2)C1 ZINC000886084559 590792449 /nfs/dbraw/zinc/79/24/49/590792449.db2.gz IWNLLRRXPHJISS-CQSZACIVSA-N 0 0 338.799 0.261 10 0 ECAERN CO[C@@H]1CCCCN(CC(=O)N2CC(=O)Nc3cnccc32)C1=O ZINC000886089146 590793627 /nfs/dbraw/zinc/79/36/27/590793627.db2.gz ZUXXIIXKVXENAA-CYBMUJFWSA-N 0 0 332.360 0.394 10 0 ECAERN O=C([C@@H]1COCCN1CC1CCC1)N1CC(c2cc(CO)on2)C1 ZINC000886085984 590793704 /nfs/dbraw/zinc/79/37/04/590793704.db2.gz OYOWEHSZKBSIGM-INIZCTEOSA-N 0 0 335.404 0.594 10 0 ECAERN COCc1nc(C)cc(N2CC[NH+]([C@]3(C(=O)[O-])CCOC3)CC2)n1 ZINC000886095348 590794265 /nfs/dbraw/zinc/79/42/65/590794265.db2.gz SUGXHBQPHZJYHH-MRXNPFEDSA-N 0 0 336.392 0.297 10 0 ECAERN Cc1ccccc1CCC(=O)N1CCN([C@]2(C(N)=O)CCOC2)CC1 ZINC000886096418 590795506 /nfs/dbraw/zinc/79/55/06/590795506.db2.gz GCGGUBXOIOVXDH-LJQANCHMSA-N 0 0 345.443 0.716 10 0 ECAERN Cn1c(=O)cc(N2CCC[C@@H](C(=O)Nc3ccccn3)C2)n(C)c1=O ZINC000065024046 608765196 /nfs/dbraw/zinc/76/51/96/608765196.db2.gz ZIYTXNMQBMMBCR-GFCCVEGCSA-N 0 0 343.387 0.334 10 0 ECAERN Cc1[nH][nH]c(=O)c1CC(=O)NCCc1cc(N2CCCC2)ncn1 ZINC000072411578 608844904 /nfs/dbraw/zinc/84/49/04/608844904.db2.gz KNORPVBIYRSCRP-UHFFFAOYSA-N 0 0 330.392 0.715 10 0 ECAERN COC[C@@]1(C)CC(=O)N(CN2CCO[C@H](Cn3cc(C)cn3)C2)C1 ZINC000177144552 608924358 /nfs/dbraw/zinc/92/43/58/608924358.db2.gz OVSOCSGDOABBAG-RDJZCZTQSA-N 0 0 336.436 0.735 10 0 ECAERN O=S(=O)(c1ccccc1Br)N1CCOC[C@@H]1CO ZINC000168673658 609031589 /nfs/dbraw/zinc/03/15/89/609031589.db2.gz ORZABNWCIODIKB-VIFPVBQESA-N 0 0 336.207 0.831 10 0 ECAERN Cc1ccsc1C(=O)NCc1nc2c([nH]1)n(C)c(=O)n(C)c2=O ZINC000222469438 609077707 /nfs/dbraw/zinc/07/77/07/609077707.db2.gz MIKPQUFMWYKSLG-UHFFFAOYSA-N 0 0 333.373 0.260 10 0 ECAERN Cn1cncc1CC(=O)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000188428234 611684843 /nfs/dbraw/zinc/68/48/43/611684843.db2.gz DJWUUBRWEQCKTP-KRWDZBQOSA-N 0 0 328.416 0.840 10 0 ECAERN CCn1cc([C@@H]2CN(CN3C(=O)N[C@](C)(C4CC4)C3=O)CCO2)cn1 ZINC000189841454 611702260 /nfs/dbraw/zinc/70/22/60/611702260.db2.gz QPTWXJDABPDNFT-WMLDXEAASA-N 0 0 347.419 0.954 10 0 ECAERN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)NC1CC(CO)(CO)C1 ZINC000913318408 609662890 /nfs/dbraw/zinc/66/28/90/609662890.db2.gz PXVZZCBEHCFGIO-DGCLKSJQSA-N 0 0 342.436 0.739 10 0 ECAERN Cc1nn(C)c2ncc(C(=O)N[C@@H]3C[C@@H](O)[C@H]3n3cccn3)cc12 ZINC000909160907 609679224 /nfs/dbraw/zinc/67/92/24/609679224.db2.gz XZPZJWXZIQTDDC-MCIONIFRSA-N 0 0 326.360 0.578 10 0 ECAERN O=C(CCn1c(=O)c(N2CCCC2)nc2ccccc21)NCCO ZINC000222882621 609705324 /nfs/dbraw/zinc/70/53/24/609705324.db2.gz NSUYMBATYNTSRX-UHFFFAOYSA-N 0 0 330.388 0.495 10 0 ECAERN CN(C)C(=O)CNC(=O)[C@@H]1CCC(=O)N1Cc1ccc2c(c1)OCO2 ZINC000223340236 609709629 /nfs/dbraw/zinc/70/96/29/609709629.db2.gz IAAFVAWKZSCXGV-LBPRGKRZSA-N 0 0 347.371 0.111 10 0 ECAERN O=C(NCC1(CN2CCOCC2)CC1)[C@@H]1CO[C@H]2C=CC=C[C@@H]2O1 ZINC000223566137 609712508 /nfs/dbraw/zinc/71/25/08/609712508.db2.gz LFKAJRRMRJGEKY-JYJNAYRXSA-N 0 0 334.416 0.494 10 0 ECAERN C[C@H](O)CNS(=O)(=O)c1ccc2c(c1)C(C)(C)CC(=O)N2C ZINC000223691526 609713450 /nfs/dbraw/zinc/71/34/50/609713450.db2.gz ZMJRIKNMXLKARB-JTQLQIEISA-N 0 0 326.418 0.990 10 0 ECAERN CC(C)C[C@H]1Nc2ncnc(N[C@H]3CCS(=O)(=O)C3)c2NC1=O ZINC000224011882 609716613 /nfs/dbraw/zinc/71/66/13/609716613.db2.gz YCNLNMCTZARTPP-VHSXEESVSA-N 0 0 339.421 0.854 10 0 ECAERN CCN(Cc1c(CO)cnc(C)c1O)C(=O)[C@@H]1CN(C)C[C@H](C)O1 ZINC000910539878 609729823 /nfs/dbraw/zinc/72/98/23/609729823.db2.gz WETHKEOPYASZOI-NHYWBVRUSA-N 0 0 337.420 0.656 10 0 ECAERN CS(=O)(=O)c1cc(C(=O)N2CCOC[C@H]2CO)ccc1Cl ZINC000168509924 609738019 /nfs/dbraw/zinc/73/80/19/609738019.db2.gz HESCWBLKUKIMDX-SNVBAGLBSA-N 0 0 333.793 0.577 10 0 ECAERN COC(=O)[C@@H]1CN(C(=O)CS[C@H]2CCS(=O)(=O)C2)C[C@@H]1C ZINC000228304445 609744067 /nfs/dbraw/zinc/74/40/67/609744067.db2.gz JXGNAYWSSGNLTJ-GARJFASQSA-N 0 0 335.447 0.174 10 0 ECAERN COCCOc1cc(=O)n2c(c1C(=O)NC1CCC1)CCOCC2 ZINC000169788530 609746577 /nfs/dbraw/zinc/74/65/77/609746577.db2.gz WWRQWOBCEYDNBL-UHFFFAOYSA-N 0 0 336.388 0.729 10 0 ECAERN CCC(=O)c1ccc(OCC(=O)NCCc2nc(N)cc(=O)[nH]2)cc1 ZINC000063848294 609787802 /nfs/dbraw/zinc/78/78/02/609787802.db2.gz SHKWXXHAMPARFG-UHFFFAOYSA-N 0 0 344.371 0.683 10 0 ECAERN O=C(OCCN1CCN(Cc2ccsc2)CC1)[C@@H]1CNC(=O)C1 ZINC000175185824 609897266 /nfs/dbraw/zinc/89/72/66/609897266.db2.gz DFWLGBQUSLKYBN-AWEZNQCLSA-N 0 0 337.445 0.545 10 0 ECAERN O=C(COc1ccc2c(c1)CCC2)NC[C@H](O)CN1CCOCC1 ZINC000154159795 609948458 /nfs/dbraw/zinc/94/84/58/609948458.db2.gz RJGXFIBRGHGHQF-INIZCTEOSA-N 0 0 334.416 0.363 10 0 ECAERN O=C(c1cccn(Cc2ccccc2)c1=O)N1CCOC[C@H]1CO ZINC000912422985 609957550 /nfs/dbraw/zinc/95/75/50/609957550.db2.gz OUZZKPCXDBWUGB-OAHLLOKOSA-N 0 0 328.368 0.730 10 0 ECAERN O=C([C@@H]1CC(c2c(F)cccc2F)=NO1)N1CCOC[C@H]1CO ZINC000912424275 609957853 /nfs/dbraw/zinc/95/78/53/609957853.db2.gz CXUFKXVENIJLGB-RNCFNFMXSA-N 0 0 326.299 0.678 10 0 ECAERN CNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCOC[C@@H]2CO)c1 ZINC000912426381 609958385 /nfs/dbraw/zinc/95/83/85/609958385.db2.gz CWNFYMXOSRQHPT-VIFPVBQESA-N 0 0 348.808 0.081 10 0 ECAERN COC(=O)Cn1ccc(NC(=O)N2CCC[C@@H]2Cn2ccnc2)n1 ZINC000180486116 610002101 /nfs/dbraw/zinc/00/21/01/610002101.db2.gz NWWWUXSYOSFXPP-GFCCVEGCSA-N 0 0 332.364 0.949 10 0 ECAERN NS(=O)(=O)N1CCC[C@@H](C(=O)N2CCC[C@H]2C(F)(F)F)C1 ZINC000913018751 610030721 /nfs/dbraw/zinc/03/07/21/610030721.db2.gz ORMNFBGVIRZZDK-BDAKNGLRSA-N 0 0 329.344 0.455 10 0 ECAERN C[C@@H]1CN(C(=S)NCc2ccc(S(N)(=O)=O)cc2)C[C@@H](C)O1 ZINC000244005287 610443632 /nfs/dbraw/zinc/44/36/32/610443632.db2.gz SHOZCFLXPHJBIN-GHMZBOCLSA-N 0 0 343.474 0.818 10 0 ECAERN O=C1[C@@H]2CC=CC[C@H]2C(=O)N1CN1CCC[C@@H](Cn2ccnn2)C1 ZINC000246634524 612337355 /nfs/dbraw/zinc/33/73/55/612337355.db2.gz RQSSSPGKPQKBPV-RBSFLKMASA-N 0 0 329.404 0.899 10 0 ECAERN O=C1CCCN1C[C@H](O)CN1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000246012889 612762416 /nfs/dbraw/zinc/76/24/16/612762416.db2.gz LGITXMWBRVQFFV-ZNMIVQPWSA-N 0 0 338.404 0.387 10 0 ECAERN CC1(C)CN(CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)CCS1(=O)=O ZINC000246240342 612811754 /nfs/dbraw/zinc/81/17/54/612811754.db2.gz NYMYPANSUOTCTD-VXGBXAGGSA-N 0 0 326.418 0.404 10 0 ECAERN CC(C)(C)OC(=O)N1CC[C@H]1C(=O)NC[C@H]1CCCS1(=O)=O ZINC000722675707 732519631 /nfs/dbraw/zinc/51/96/31/732519631.db2.gz IRAZOTSXRYNTSN-MNOVXSKESA-N 0 0 332.422 0.689 10 0 ECAERN C[C@H]1COCCN1C(=O)N[C@H]1CCCN(c2nccn(C)c2=O)C1 ZINC000333268879 755312122 /nfs/dbraw/zinc/31/21/22/755312122.db2.gz GXNMUGIMDRMSCW-STQMWFEESA-N 0 0 335.408 0.179 10 0 ECAERN [NH3+][C@H](COCC(=O)[O-])c1cc2[nH]c(=O)[nH]c2cc1Br ZINC000052094750 214116499 /nfs/dbraw/zinc/11/64/99/214116499.db2.gz KBPLWRIQAGFEKF-SSDOTTSWSA-N 0 0 330.138 0.720 10 0 ECAERN Cc1cc(N2CCC[C@@H](NC(=O)N3CCC[C@@H]3CO)C2=O)n(C)n1 ZINC000173566525 230973730 /nfs/dbraw/zinc/97/37/30/230973730.db2.gz WZBZEHPPVPHTSL-CHWSQXEVSA-N 0 0 335.408 0.390 10 0 ECAERN C[C@H]1CN(C(=O)c2cccc(-n3cnnn3)c2)C[C@@H]1N1CCOCC1 ZINC000173861244 231053956 /nfs/dbraw/zinc/05/39/56/231053956.db2.gz BFSXZSKTCAKBPK-BBRMVZONSA-N 0 0 342.403 0.455 10 0 ECAERN CCOC(=O)[C@@]12C(=O)C(=O)N[C@]1(c1ccccc1)[C@H]1OCCC[C@@H]12 ZINC000004665035 210241800 /nfs/dbraw/zinc/24/18/00/210241800.db2.gz FWGNZLPMMZQUBX-MZTNWIODSA-N 0 0 329.352 0.939 10 0 ECAERN Cc1cn([C@@H]2C[C@H](O)[C@H](CO)O2)c(=O)nc1NC(=O)c1ccccc1 ZINC000098065318 219076664 /nfs/dbraw/zinc/07/66/64/219076664.db2.gz VYJDMDIVDHHLGK-IHRRRGAJSA-N 0 0 345.355 0.445 10 0 ECAERN COCCn1cc(NC(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)cn1 ZINC000177230134 231834672 /nfs/dbraw/zinc/83/46/72/231834672.db2.gz SZDFRSRZSNNIMZ-UKRRQHHQSA-N 0 0 337.424 0.714 10 0 ECAERN CCOC(=O)c1ccc(N2C(=O)C[C@H](N3C(=O)CCC3=O)C2=O)cc1 ZINC000101228392 219120177 /nfs/dbraw/zinc/12/01/77/219120177.db2.gz OMLNQFAXKSKNTE-LBPRGKRZSA-N 0 0 344.323 0.644 10 0 ECAERN O=C(N[C@H]1CO[C@H]2[C@@H]1OC[C@@H]2n1nnnc1-c1ccccc1)C1CC1 ZINC000004259567 210153987 /nfs/dbraw/zinc/15/39/87/210153987.db2.gz BYQVFYQLMNEWHZ-BYNSBNAKSA-N 0 0 341.371 0.574 10 0 ECAERN CN1C(=O)C[C@@H](C(=O)NCCS(C)(=O)=O)[C@@H]1c1ccc(F)cc1 ZINC000155023574 530044375 /nfs/dbraw/zinc/04/43/75/530044375.db2.gz IIICFGLJMCDPNS-OCCSQVGLSA-N 0 0 342.392 0.506 10 0 ECAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCCCc1cnn(C)c1 ZINC000102622839 219215726 /nfs/dbraw/zinc/21/57/26/219215726.db2.gz WKHUFRSNMUCDBG-CQSZACIVSA-N 0 0 342.465 0.673 10 0 ECAERN C[C@@]1(O)CCN(C(=O)CN2CCNC(=O)C2)C[C@@H]1Cc1ccccc1 ZINC000067713234 215191159 /nfs/dbraw/zinc/19/11/59/215191159.db2.gz XAJHFGYUCGIAQX-QFBILLFUSA-N 0 0 345.443 0.260 10 0 ECAERN CN1C(=O)C[C@H](C(=O)N2CCNC(=O)CC2)[C@@H]1c1ccc(F)cc1 ZINC000128932224 282639354 /nfs/dbraw/zinc/63/93/54/282639354.db2.gz FLUHXUPOLMEBJR-BBRMVZONSA-N 0 0 333.363 0.694 10 0 ECAERN Cc1ccc(C(=O)NC[C@@H]2CCCC[C@@H]2O)cc1S(N)(=O)=O ZINC000081443268 545702937 /nfs/dbraw/zinc/70/29/37/545702937.db2.gz BFPXYLIKHHMAOJ-STQMWFEESA-N 0 0 326.418 0.923 10 0 ECAERN O[C@H](COc1ccccc1)CN1CCN(C[C@H](O)C(F)(F)F)CC1 ZINC000181692917 234288950 /nfs/dbraw/zinc/28/89/50/234288950.db2.gz HJGPMDDBICRFST-ZFWWWQNUSA-N 0 0 348.365 0.967 10 0 ECAERN O=C([O-])C1(Oc2ccc3ncccc3c2)CC[NH+](C[C@@H](O)CO)CC1 ZINC000077438786 304034773 /nfs/dbraw/zinc/03/47/73/304034773.db2.gz MAQGDORHXTXSQX-CQSZACIVSA-N 0 0 346.383 0.886 10 0 ECAERN C[C@H](Sc1nncn1C)C(=O)N1CCCN(c2cccnn2)CC1 ZINC000105811141 219536081 /nfs/dbraw/zinc/53/60/81/219536081.db2.gz XNSIPXACUHPILL-LBPRGKRZSA-N 0 0 347.448 0.825 10 0 ECAERN Cc1cc(C(=O)N2C[C@@H](C)O[C@@H](C(N)=O)C2)nc(C(F)(F)F)n1 ZINC000186389694 235897452 /nfs/dbraw/zinc/89/74/52/235897452.db2.gz ZIWBSFVNPLOCRX-VXNVDRBHSA-N 0 0 332.282 0.519 10 0 ECAERN O=C(NC1CN(C(=O)N[C@H]2CCN(c3ccccn3)C2)C1)C1CC1 ZINC000187697114 236279561 /nfs/dbraw/zinc/27/95/61/236279561.db2.gz APMAFTLHONJUBG-ZDUSSCGKSA-N 0 0 329.404 0.580 10 0 ECAERN Cn1c(=O)c(=O)n(CC(=O)NCc2ccc(F)cc2)c2cccnc21 ZINC000035449481 213028576 /nfs/dbraw/zinc/02/85/76/213028576.db2.gz WIILLPJHPHPBIO-UHFFFAOYSA-N 0 0 342.330 0.551 10 0 ECAERN Cc1nc2c(c(N(C)C)n1)CCN(C(=O)CN1CCC(O)CC1)C2 ZINC000072167150 216058173 /nfs/dbraw/zinc/05/81/73/216058173.db2.gz BUDNVLZPKNCTBH-UHFFFAOYSA-N 0 0 333.436 0.192 10 0 ECAERN Cc1cnn([C@H]2CCCN(S(=O)(=O)[C@@H](C)C(=O)N(C)C)C2)c1 ZINC000193915804 240361398 /nfs/dbraw/zinc/36/13/98/240361398.db2.gz BUOFVSVURHQYEI-STQMWFEESA-N 0 0 328.438 0.635 10 0 ECAERN Cc1nnc(SCC(=O)N2CCN(C(=O)c3ccco3)CC2)n1C ZINC000021742339 212247449 /nfs/dbraw/zinc/24/74/49/212247449.db2.gz HQAQTDRMQPWPPS-UHFFFAOYSA-N 0 0 349.416 0.793 10 0 ECAERN Cc1cc(O)cc(=O)n1CC(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000132864197 223368920 /nfs/dbraw/zinc/36/89/20/223368920.db2.gz QXLZWNCWXGBTPT-DOMZBBRYSA-N 0 0 335.404 0.041 10 0 ECAERN CN1C(=O)CO[C@H](C(=O)NCC2(CO)CCC2)[C@H]1c1ccccc1 ZINC000223251962 241622838 /nfs/dbraw/zinc/62/28/38/241622838.db2.gz PQILCJCZYGLDMT-CVEARBPZSA-N 0 0 332.400 0.864 10 0 ECAERN O=C(N[C@@H]1CCN(c2cnccn2)C[C@H]1O)c1noc2c1CCCC2 ZINC000244787967 243082482 /nfs/dbraw/zinc/08/24/82/243082482.db2.gz QHCMWKHBJBQKBO-CHWSQXEVSA-N 0 0 343.387 0.713 10 0 ECAERN O=C(NC[C@@H]1CCCC[C@@H]1O)C(=O)Nc1cccnc1-n1cccn1 ZINC000077937434 217002464 /nfs/dbraw/zinc/00/24/64/217002464.db2.gz DLOGJRIUCUTDOC-JSGCOSHPSA-N 0 0 343.387 0.873 10 0 ECAERN CC(C)CS(=O)(=O)CCC(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000111077673 220096556 /nfs/dbraw/zinc/09/65/56/220096556.db2.gz NZLCMVONHZXVKH-AWEZNQCLSA-N 0 0 343.449 0.571 10 0 ECAERN Cn1cc(N2CC[C@@H](N3CCC(Nc4cccnn4)CC3)C2=O)cn1 ZINC000111227417 220115153 /nfs/dbraw/zinc/11/51/53/220115153.db2.gz FACPODUVSNTUCS-OAHLLOKOSA-N 0 0 341.419 0.892 10 0 ECAERN Cc1cc(C)n(C[C@H]2CN(S(=O)(=O)c3cccnc3)CCO2)n1 ZINC000111345483 220142294 /nfs/dbraw/zinc/14/22/94/220142294.db2.gz PWLGAUZAIJLHPB-CQSZACIVSA-N 0 0 336.417 0.985 10 0 ECAERN CC(=O)NCCNC(=O)CCC(=O)N1CCC[C@@H](n2cc(C)cn2)C1 ZINC000111613467 220171004 /nfs/dbraw/zinc/17/10/04/220171004.db2.gz LFQCGCSRHDFJJC-OAHLLOKOSA-N 0 0 349.435 0.388 10 0 ECAERN Cc1cc(C)n(C[C@H]2CN(C(=O)NCc3cnn(C)c3)CCO2)n1 ZINC000111838198 220203368 /nfs/dbraw/zinc/20/33/68/220203368.db2.gz XRWXXTLDSITYGU-OAHLLOKOSA-N 0 0 332.408 0.844 10 0 ECAERN Cc1cnn(C[C@H]2CN(C(=O)CNC(=O)c3ccccc3)CCO2)c1 ZINC000112117888 220246047 /nfs/dbraw/zinc/24/60/47/220246047.db2.gz DMXYGGJGYJBMOT-MRXNPFEDSA-N 0 0 342.399 0.849 10 0 ECAERN Cc1cnn(C[C@H]2CN(C(=O)NCCCc3cnn(C)c3)CCO2)c1 ZINC000112110792 220246251 /nfs/dbraw/zinc/24/62/51/220246251.db2.gz YMUNYFPGLWYPSF-MRXNPFEDSA-N 0 0 346.435 0.968 10 0 ECAERN NC(=O)[C@H]1COCCN1C(=O)c1cc(Br)ccc1F ZINC000091784241 295158301 /nfs/dbraw/zinc/15/83/01/295158301.db2.gz SYTHCLMGSPFEFJ-SNVBAGLBSA-N 0 0 331.141 0.915 10 0 ECAERN NS(=O)(=O)c1cc(OC2CC2)cnc1I ZINC000095734668 295287140 /nfs/dbraw/zinc/28/71/40/295287140.db2.gz WWWSAZKAVYMIEC-UHFFFAOYSA-N 0 0 340.142 0.875 10 0 ECAERN NC(=O)CN1CCC(C(=O)NC[C@H](O)c2ccc(Cl)cc2)CC1 ZINC000091505012 218014724 /nfs/dbraw/zinc/01/47/24/218014724.db2.gz ZNBUFRUZBBEFEF-AWEZNQCLSA-N 0 0 339.823 0.687 10 0 ECAERN COCCC(=O)N1CC[C@@H]2[C@H](CC1)N(CC(C)C)CCS2(=O)=O ZINC000096251573 218722575 /nfs/dbraw/zinc/72/25/75/218722575.db2.gz JDVCXSDFZHMJLY-LSDHHAIUSA-N 0 0 346.493 0.769 10 0 ECAERN CNc1cc(N2CCC[C@H]2CNC(=O)N(C)CC2(CO)CC2)ncn1 ZINC000187225767 533050895 /nfs/dbraw/zinc/05/08/95/533050895.db2.gz JIYNYUQVQRALEU-ZDUSSCGKSA-N 0 0 348.451 0.901 10 0 ECAERN C[C@@H](NC(=O)Cn1ncn(C)c1=O)c1cccc(-n2ccnc2)c1 ZINC000179524631 533100063 /nfs/dbraw/zinc/10/00/63/533100063.db2.gz XRNCZYKKCDOJHN-GFCCVEGCSA-N 0 0 326.360 0.645 10 0 ECAERN O=C(CCN1C(=O)COc2ccccc21)N[C@@H]1CCc2ncnn2C1 ZINC000112663133 220368412 /nfs/dbraw/zinc/36/84/12/220368412.db2.gz SEXMBJWSVPTRHI-GFCCVEGCSA-N 0 0 341.371 0.525 10 0 ECAERN COc1cccc2c1OC[C@H](NC(=O)N[C@@H]1CCc3ncnn3C1)C2 ZINC000112748615 220396692 /nfs/dbraw/zinc/39/66/92/220396692.db2.gz UNAKPKKYHFJRLA-CHWSQXEVSA-N 0 0 343.387 0.904 10 0 ECAERN Cn1cnc(S(=O)(=O)N2CCC[C@@H](n3cncn3)C2)c1Cl ZINC000114209306 220655939 /nfs/dbraw/zinc/65/59/39/220655939.db2.gz YLAKZQBSQRLHTM-SECBINFHSA-N 0 0 330.801 0.691 10 0 ECAERN C[C@H](Oc1cccc(Cl)c1)C(=O)NC[C@@H](O)CN1CCOCC1 ZINC000154148751 224211162 /nfs/dbraw/zinc/21/11/62/224211162.db2.gz GAVMRIPZVGKZRP-GXTWGEPZSA-N 0 0 342.823 0.917 10 0 ECAERN Cn1cc([C@H]2CCN(C(=O)CNC(=O)COc3ccccc3)C2)cn1 ZINC000116466466 220965367 /nfs/dbraw/zinc/96/53/67/220965367.db2.gz JYBPGJPGMJWXPA-AWEZNQCLSA-N 0 0 342.399 0.931 10 0 ECAERN Cc1cnn(CCNC(=O)Cc2c(C)nc3cc(=O)[nH]n3c2C)c1 ZINC000117811560 221091855 /nfs/dbraw/zinc/09/18/55/221091855.db2.gz JHLMGZLDUODDKJ-UHFFFAOYSA-N 0 0 328.376 0.503 10 0 ECAERN COC[C@@H](C)S(=O)(=O)N1CCN(Cc2cnc(C)s2)CC1 ZINC000117921286 221100602 /nfs/dbraw/zinc/10/06/02/221100602.db2.gz KKPCKOBVSSKKPO-LLVKDONJSA-N 0 0 333.479 0.934 10 0 ECAERN CCNC(=O)c1ccc(NC(=O)C(=O)NCCn2cc(C)cn2)cc1 ZINC000118134295 221128152 /nfs/dbraw/zinc/12/81/52/221128152.db2.gz ABFJMBWCTMBYAK-UHFFFAOYSA-N 0 0 343.387 0.696 10 0 ECAERN Cc1cnn(CCNC(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)c1 ZINC000118081565 221112549 /nfs/dbraw/zinc/11/25/49/221112549.db2.gz NBKVROMIZAMSPX-CYBMUJFWSA-N 0 0 331.380 0.030 10 0 ECAERN CN1CCO[C@H](CNC(=O)C(=O)Nc2ccc(Cl)cc2F)C1 ZINC000118115571 221121720 /nfs/dbraw/zinc/12/17/20/221121720.db2.gz JPFGMXKXLCTPMN-SNVBAGLBSA-N 0 0 329.759 0.864 10 0 ECAERN C[C@H](CN1CCCN(Cc2cnn(C)c2)CC1)CS(C)(=O)=O ZINC000119001557 221221674 /nfs/dbraw/zinc/22/16/74/221221674.db2.gz VDXZZZAUAMESFJ-CQSZACIVSA-N 0 0 328.482 0.609 10 0 ECAERN CN(CC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1)c1ncnc2nc[nH]c21 ZINC000119395794 221310717 /nfs/dbraw/zinc/31/07/17/221310717.db2.gz SQKXFRWGKIEUDA-PXAZEXFGSA-N 0 0 344.419 0.943 10 0 ECAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)COc1c(C)nn(C)c1C ZINC000155227178 224380509 /nfs/dbraw/zinc/38/05/09/224380509.db2.gz VWGZVOYLKVGEDF-GFCCVEGCSA-N 0 0 348.407 0.805 10 0 ECAERN Cn1nccc1C(=O)NC[C@@H]1CO[C@@H]2CN(c3ncccn3)C[C@H]12 ZINC000248059764 257667576 /nfs/dbraw/zinc/66/75/76/257667576.db2.gz UDMZFTVWNWCDQZ-YRGRVCCFSA-N 0 0 328.376 0.091 10 0 ECAERN Cc1ccc(CN2CC3(C2)CN(C)[C@@H](C(=O)N2CCCO2)CO3)o1 ZINC000247964738 257671014 /nfs/dbraw/zinc/67/10/14/257671014.db2.gz GXVHSZLELWTBCI-OAHLLOKOSA-N 0 0 335.404 0.637 10 0 ECAERN O=C1NCCO[C@@H]2CN(S(=O)(=O)c3ccccc3F)CC[C@H]12 ZINC000247872882 257675701 /nfs/dbraw/zinc/67/57/01/257675701.db2.gz MKATUOMUETVECE-CMPLNLGQSA-N 0 0 328.365 0.351 10 0 ECAERN O=C(NC1CC1)[C@@H](O)C1CCN(Cc2cnc3cnccn23)CC1 ZINC000299742229 258009247 /nfs/dbraw/zinc/00/92/47/258009247.db2.gz JAPAEAGJESYOSE-INIZCTEOSA-N 0 0 329.404 0.581 10 0 ECAERN NC(=O)CN1CCC(C(=O)NCc2ccc(-c3ncon3)cc2)CC1 ZINC000299766047 258080805 /nfs/dbraw/zinc/08/08/05/258080805.db2.gz BBZZPYCWOCTBNQ-UHFFFAOYSA-N 0 0 343.387 0.550 10 0 ECAERN CS(=O)(=O)c1cc(C(=O)N2CC(NC(=O)C3CC3)C2)cs1 ZINC000189362407 533436464 /nfs/dbraw/zinc/43/64/64/533436464.db2.gz YKFFCMYESSSITM-UHFFFAOYSA-N 0 0 328.415 0.502 10 0 ECAERN Cc1nnc(CN2CCN(S(=O)(=O)c3ccccc3)CC2)n1C ZINC000047541041 296599895 /nfs/dbraw/zinc/59/98/95/296599895.db2.gz RVSDCYHVUOIKBG-UHFFFAOYSA-N 0 0 335.433 0.630 10 0 ECAERN COc1cc(N2CC[C@H]3OCC[C@@H](C(=O)NC4CC4)[C@@H]3C2)ncn1 ZINC000096043343 286230745 /nfs/dbraw/zinc/23/07/45/286230745.db2.gz BKDQGVBJPVYGBC-HZSPNIEDSA-N 0 0 332.404 0.995 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)[C@@H](C)Oc2cccc(CO)c2)CC1 ZINC000163007983 296717764 /nfs/dbraw/zinc/71/77/64/296717764.db2.gz ULPQPBZXRRPWKU-ZBFHGGJFSA-N 0 0 336.432 0.861 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)N(CC)CCS(C)(=O)=O)CC2 ZINC000132754254 164702379 /nfs/dbraw/zinc/70/23/79/164702379.db2.gz ZDAAJCLJVKXBFM-NSHDSACASA-N 0 0 343.453 0.231 10 0 ECAERN CCS(=O)(=O)CCNC(=O)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000153527311 164754980 /nfs/dbraw/zinc/75/49/80/164754980.db2.gz DNRCZVPXPCJWPA-NSHDSACASA-N 0 0 343.453 0.450 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)N1CCC[C@H](C3OCCO3)C1)CC2 ZINC000172041191 164838680 /nfs/dbraw/zinc/83/86/80/164838680.db2.gz NMUNJSOHNKZBED-STQMWFEESA-N 0 0 349.435 0.950 10 0 ECAERN CCS(=O)(=O)NCCNC(=O)N1CCC(Cn2cccn2)CC1 ZINC000172376815 164841179 /nfs/dbraw/zinc/84/11/79/164841179.db2.gz LANHTXOPSLVRDY-UHFFFAOYSA-N 0 0 343.453 0.244 10 0 ECAERN O=S(=O)(C[C@@H]1CCCCO1)N1CCN(Cc2ccon2)CC1 ZINC000173658814 164858873 /nfs/dbraw/zinc/85/88/73/164858873.db2.gz RLXCQXFIYAQOFS-AWEZNQCLSA-N 0 0 329.422 0.691 10 0 ECAERN Cn1cc([C@H]2CCCN2C(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)cn1 ZINC000178203307 164913168 /nfs/dbraw/zinc/91/31/68/164913168.db2.gz ZCOJDTRIODEOJN-BXUZGUMPSA-N 0 0 328.376 0.860 10 0 ECAERN C[C@H]1C(=O)NCCCN1C(=O)c1cc(C(N)=O)n(-c2ccccc2)n1 ZINC000188080733 164994132 /nfs/dbraw/zinc/99/41/32/164994132.db2.gz YTIBQIKJUURMNF-NSHDSACASA-N 0 0 341.371 0.322 10 0 ECAERN O=C(NC1CN(C(=O)NC[C@H]2CC(=O)N(C3CC3)C2)C1)C1CCC1 ZINC000188918781 165003392 /nfs/dbraw/zinc/00/33/92/165003392.db2.gz JOFVERJAXCIZKU-LLVKDONJSA-N 0 0 334.420 0.307 10 0 ECAERN CCC1(CC)[C@H](NC(=O)[C@H]2C[C@@H](O)CN2C(C)=O)[C@@H](C)[C@@H]1OC ZINC000189377922 165010362 /nfs/dbraw/zinc/01/03/62/165010362.db2.gz BMNYNEWNCQVVCH-GZENYHORSA-N 0 0 326.437 0.924 10 0 ECAERN O=C1CCCN1C[C@H](O)CN1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000189674014 165013263 /nfs/dbraw/zinc/01/32/63/165013263.db2.gz ZOOBZZKYXNRUJA-CQSZACIVSA-N 0 0 333.436 0.392 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)c1cc3c(cn1)nc[nH]c3=O)CC2 ZINC000189616381 165013464 /nfs/dbraw/zinc/01/34/64/165013464.db2.gz QCEKWAFHOKJTCY-SECBINFHSA-N 0 0 339.359 0.217 10 0 ECAERN C[C@H]1C(=O)NCCCN1C(=O)C(=O)Nc1cc(CC(C)(C)C)nn1C ZINC000190670544 165024027 /nfs/dbraw/zinc/02/40/27/165024027.db2.gz BNQBBNITRWZLPT-NSHDSACASA-N 0 0 349.435 0.684 10 0 ECAERN C[C@H]1C(=O)NCCCN1C(=O)NCC(=O)N1CCc2ccccc21 ZINC000191340383 165030313 /nfs/dbraw/zinc/03/03/13/165030313.db2.gz TYBKIOHAZNKVNN-LBPRGKRZSA-N 0 0 330.388 0.496 10 0 ECAERN CC(C)CC(=O)N1CCC(NC(=O)N2CCCNC(=O)[C@@H]2C)CC1 ZINC000191332273 165030465 /nfs/dbraw/zinc/03/04/65/165030465.db2.gz MRFFYZBBZHRGQK-ZDUSSCGKSA-N 0 0 338.452 0.944 10 0 ECAERN C[C@H](C1CC1)n1nccc1NC(=O)C(=O)N1CCCNC(=O)[C@@H]1C ZINC000192101441 165040458 /nfs/dbraw/zinc/04/04/58/165040458.db2.gz COFIOANDKPMWMK-MNOVXSKESA-N 0 0 333.392 0.530 10 0 ECAERN C[C@H]1C(=O)NCCCN1C(=O)C(=O)Nc1cc(C(F)(F)F)ccn1 ZINC000194402060 165066600 /nfs/dbraw/zinc/06/66/00/165066600.db2.gz XOEZIAWGHASOQJ-QMMMGPOBSA-N 0 0 344.293 0.776 10 0 ECAERN CN1CCO[C@@H](CNC(=O)CCCNC(=O)c2ccsc2)C1 ZINC000194629501 165069790 /nfs/dbraw/zinc/06/97/90/165069790.db2.gz WKYLIBJAMZUDDX-ZDUSSCGKSA-N 0 0 325.434 0.705 10 0 ECAERN CCc1nnc(CN2CCCN(CC(=O)N(CC)CC)CC2)n1C ZINC000195067079 165074682 /nfs/dbraw/zinc/07/46/82/165074682.db2.gz MLRMDXIOJMLURM-UHFFFAOYSA-N 0 0 336.484 0.754 10 0 ECAERN CC(=O)N[C@@H]1CCCN([C@@H]2CC(=O)N([C@@H](C)c3cccnc3)C2=O)C1 ZINC000246207487 165127208 /nfs/dbraw/zinc/12/72/08/165127208.db2.gz ALTPWLOIWHOKER-APHBMKBZSA-N 0 0 344.415 0.871 10 0 ECAERN C[C@H](O)CN1CCN(C(=O)[C@@H]2Cc3ccccc3C(=O)O2)C[C@@H]1C ZINC000246797837 165142630 /nfs/dbraw/zinc/14/26/30/165142630.db2.gz QZQSWMANEJWRRM-XEZPLFJOSA-N 0 0 332.400 0.682 10 0 ECAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NC[C@H](C)Cn1ccnc1 ZINC000246791757 165143102 /nfs/dbraw/zinc/14/31/02/165143102.db2.gz CYTVTIDNNIDLNQ-UONOGXRCSA-N 0 0 342.465 0.840 10 0 ECAERN CCOCCN1CCN(S(=O)(=O)C[C@H]2CCCCO2)C[C@H]1C ZINC000246944377 165146966 /nfs/dbraw/zinc/14/69/66/165146966.db2.gz CKBXQVCQRRULEY-HUUCEWRRSA-N 0 0 334.482 0.928 10 0 ECAERN COCCN1CCN(C(=O)NC[C@H](C)CN2CCOCC2)C[C@@H]1C ZINC000247259165 165157281 /nfs/dbraw/zinc/15/72/81/165157281.db2.gz AWNGFXVFCCNXFT-HOTGVXAUSA-N 0 0 342.484 0.317 10 0 ECAERN NC(=O)[C@@H]1COCCN1C[C@H](O)COc1ccccc1C(F)(F)F ZINC000248455800 165176085 /nfs/dbraw/zinc/17/60/85/165176085.db2.gz LDOVAJUWVDAEAK-JQWIXIFHSA-N 0 0 348.321 0.631 10 0 ECAERN CCOC(=O)c1nn(C)cc1CN1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000248668574 165184028 /nfs/dbraw/zinc/18/40/28/165184028.db2.gz AHSAHCDUNKPZSF-HIFRSBDPSA-N 0 0 336.436 0.749 10 0 ECAERN C[C@H](C(=O)N(C)C)S(=O)(=O)N1C[C@H](CO)[C@@H](c2ccsc2)C1 ZINC000248824411 165185367 /nfs/dbraw/zinc/18/53/67/165185367.db2.gz FSEMTCZTIWDZGD-RAIGVLPGSA-N 0 0 346.474 0.562 10 0 ECAERN CCn1cc([C@@H]2CN([C@H](C)c3nc(N)nc(N(C)C)n3)CCO2)cn1 ZINC000248824349 165185425 /nfs/dbraw/zinc/18/54/25/165185425.db2.gz WOSJTIQRCPLXJM-YPMHNXCESA-N 0 0 346.439 0.871 10 0 ECAERN Cc1nc(CN2CCCN(S(=O)(=O)[C@H]3CCO[C@@H]3C)CC2)no1 ZINC000248954473 165191598 /nfs/dbraw/zinc/19/15/98/165191598.db2.gz PZSHFAZHXJLWHC-YPMHNXCESA-N 0 0 344.437 0.393 10 0 ECAERN CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1ccn(CCOC)n1 ZINC000249202024 165195078 /nfs/dbraw/zinc/19/50/78/165195078.db2.gz RAUICVRBCOPVPB-KBPBESRZSA-N 0 0 349.435 0.553 10 0 ECAERN CC[NH+]1CCN(Cc2ccc(CNC(=O)[C@H]([NH3+])COC)cc2)CC1 ZINC000262248749 165316172 /nfs/dbraw/zinc/31/61/72/165316172.db2.gz IKFWLHZIRHJXHK-QGZVFWFLSA-N 0 0 334.464 0.414 10 0 ECAERN CCC[C@H]([NH3+])C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000262409895 165346000 /nfs/dbraw/zinc/34/60/00/165346000.db2.gz CZDGSALPMZCXFY-AWEZNQCLSA-N 0 0 341.433 0.773 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)Cn2ccc(C(F)(F)F)n2)C1 ZINC000262707546 165375590 /nfs/dbraw/zinc/37/55/90/165375590.db2.gz JZSIEXTYACAFSP-UHFFFAOYSA-N 0 0 348.325 0.956 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)CCCC(=O)NC(C)C)C1 ZINC000262725547 165377375 /nfs/dbraw/zinc/37/73/75/165377375.db2.gz SGYNFRYFXSWHCU-UHFFFAOYSA-N 0 0 327.425 0.735 10 0 ECAERN NC(=O)c1cccc(C(=O)NC2CC([N@@H+](CC(=O)[O-])CC3CC3)C2)c1 ZINC000262725122 165377946 /nfs/dbraw/zinc/37/79/46/165377946.db2.gz RYWVZDAVAHLZAV-UHFFFAOYSA-N 0 0 345.399 0.843 10 0 ECAERN O=C(N1CCOCC1)N1CCN(c2nc3ccccc3c(=O)[nH]2)CC1 ZINC000301124556 296882187 /nfs/dbraw/zinc/88/21/87/296882187.db2.gz NOONQIVEVSUJGM-UHFFFAOYSA-N 0 0 343.387 0.910 10 0 ECAERN Cc1nc2c(c(N3CCN(CCS(C)(=O)=O)CC3)n1)CCCC2 ZINC000302097036 296895078 /nfs/dbraw/zinc/89/50/78/296895078.db2.gz OOASORQHAMWTJI-UHFFFAOYSA-N 0 0 338.477 0.830 10 0 ECAERN CN(C)c1noc([C@H]2CCCN(c3nn4c(nccc4=O)s3)C2)n1 ZINC000302429283 296898137 /nfs/dbraw/zinc/89/81/37/296898137.db2.gz KVUKCZVQYYRRPG-VIFPVBQESA-N 0 0 347.404 0.984 10 0 ECAERN CN(C(=O)CN1CCCCC1=O)[C@@H]1CCCN(c2cccnn2)C1 ZINC000122344101 222066666 /nfs/dbraw/zinc/06/66/66/222066666.db2.gz JZSRATREXNQOQU-CQSZACIVSA-N 0 0 331.420 0.916 10 0 ECAERN O=C(CCNC(=O)N1CCC(Cn2cccn2)CC1)N1CCOCC1 ZINC000123591514 222301850 /nfs/dbraw/zinc/30/18/50/222301850.db2.gz ZNQZCEWLDFCBAD-UHFFFAOYSA-N 0 0 349.435 0.554 10 0 ECAERN Cc1c(C(=O)N2C[C@H]3OCCN(C)[C@@H]3C2)cccc1N1CCNC1=O ZINC000123999704 222362744 /nfs/dbraw/zinc/36/27/44/222362744.db2.gz VOMLZIKXSUCMMF-HZPDHXFCSA-N 0 0 344.415 0.680 10 0 ECAERN CC(C)[C@@H](C)NC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000124037757 222367436 /nfs/dbraw/zinc/36/74/36/222367436.db2.gz GXIWNBVSCASBHI-CQSZACIVSA-N 0 0 326.441 0.217 10 0 ECAERN CCn1cc(NC(=O)N2CCO[C@H](Cn3cccn3)C2)ccc1=O ZINC000171817015 227297554 /nfs/dbraw/zinc/29/75/54/227297554.db2.gz UEANACUTLXJEJU-AWEZNQCLSA-N 0 0 331.376 0.998 10 0 ECAERN Cc1cnn(C[C@H]2CN(C(=O)NCCC(=O)NC(C)C)CCO2)c1 ZINC000171840088 227312001 /nfs/dbraw/zinc/31/20/01/227312001.db2.gz ZKYUOPDZUPWGLV-CQSZACIVSA-N 0 0 337.424 0.517 10 0 ECAERN COc1cccc([C@@H](O)CNC(=O)N[C@@H]2CCc3ncnn3C2)c1 ZINC000172603713 227792918 /nfs/dbraw/zinc/79/29/18/227792918.db2.gz VUOBALWDPMYDRM-OCCSQVGLSA-N 0 0 331.376 0.634 10 0 ECAERN CN(C)C(=O)[C@H]1CCCN1C(=O)c1c[nH]c(=O)c(Br)c1 ZINC000172998651 263147904 /nfs/dbraw/zinc/14/79/04/263147904.db2.gz UTEGIPMZSUFEGY-SNVBAGLBSA-N 0 0 342.193 0.830 10 0 ECAERN COc1ccc(COC[C@@H](O)CN2CC(NC(=O)C3CC3)C2)cc1 ZINC000187979249 263161154 /nfs/dbraw/zinc/16/11/54/263161154.db2.gz JOGSZHFFTMJCBG-INIZCTEOSA-N 0 0 334.416 0.783 10 0 ECAERN C[C@H](NC(=O)[C@@H]1CNC(=O)C1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000195355356 263170970 /nfs/dbraw/zinc/17/09/70/263170970.db2.gz WGASUESVZBGSTQ-STQMWFEESA-N 0 0 344.415 0.866 10 0 ECAERN O[C@@]1(Cn2ccnn2)CCCN(c2nnnn2-c2ccccc2)C1 ZINC000284409951 264209440 /nfs/dbraw/zinc/20/94/40/264209440.db2.gz CXXFBUOPTHJOOS-HNNXBMFYSA-N 0 0 326.364 0.285 10 0 ECAERN CN1CCO[C@H](CNS(=O)(=O)CCc2ccc3c(c2)CCO3)C1 ZINC000189425542 437597817 /nfs/dbraw/zinc/59/78/17/437597817.db2.gz UZOMMSVGRHOCEM-OAHLLOKOSA-N 0 0 340.445 0.414 10 0 ECAERN CCC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1)C(=O)[O-] ZINC000262298993 278872517 /nfs/dbraw/zinc/87/25/17/278872517.db2.gz PSAXQLKUDWLNDI-BXKDBHETSA-N 0 0 343.405 0.504 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)C(=O)Nc2cc(C)cc(F)c2)CC1 ZINC000189461573 437601987 /nfs/dbraw/zinc/60/19/87/437601987.db2.gz VVWRECAXOQLBJA-HNNXBMFYSA-N 0 0 337.395 0.988 10 0 ECAERN Cc1cc(=O)n(C)cc1NC(=O)C(=O)N[C@@H]1COc2ccccc21 ZINC000183024146 280303982 /nfs/dbraw/zinc/30/39/82/280303982.db2.gz MKGLJLGIKUJQFF-CYBMUJFWSA-N 0 0 327.340 0.882 10 0 ECAERN CN1C(=O)CC[C@@H](C(=O)N2CCNC(=O)CC2)[C@H]1c1ccccc1 ZINC000171801369 289792029 /nfs/dbraw/zinc/79/20/29/289792029.db2.gz ALMVZYQBOVBYNG-RHSMWYFYSA-N 0 0 329.400 0.945 10 0 ECAERN CN1C(=O)C[C@@H](C(=O)N2CCN(C)C(=O)C2)[C@H]1c1ccc(F)cc1 ZINC000135522321 289818555 /nfs/dbraw/zinc/81/85/55/289818555.db2.gz LTPBGFLJJBYLCI-CZUORRHYSA-N 0 0 333.363 0.646 10 0 ECAERN Cn1cc([C@H]2CS(=O)(=O)CCN2C(=O)NCC(C)(C)C)cn1 ZINC000190092490 437616806 /nfs/dbraw/zinc/61/68/06/437616806.db2.gz HGLWMCHPIWXVDN-GFCCVEGCSA-N 0 0 328.438 0.947 10 0 ECAERN CCn1cnnc1CNC(=O)N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000333245632 297120759 /nfs/dbraw/zinc/12/07/59/297120759.db2.gz JFEWCOSBZLSZFG-OLZOCXBDSA-N 0 0 334.424 0.888 10 0 ECAERN C[C@H](C(=O)N(C)C1CCN(c2cnccn2)CC1)N1CCOCC1 ZINC000333297164 297121999 /nfs/dbraw/zinc/12/19/99/297121999.db2.gz LIXRVZKECVNBQM-CQSZACIVSA-N 0 0 333.436 0.625 10 0 ECAERN CO[C@@H]1COC[C@@H]1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000333590993 297143722 /nfs/dbraw/zinc/14/37/22/297143722.db2.gz SSGPQZNLRUNROD-LSDHHAIUSA-N 0 0 344.408 0.546 10 0 ECAERN CCO[C@@H]1COC[C@H]1NC(=O)N1CCCNC(=O)[C@H]1CC(C)C ZINC000334090078 297163168 /nfs/dbraw/zinc/16/31/68/297163168.db2.gz NSDSDNORPNFUJW-MGPQQGTHSA-N 0 0 327.425 0.737 10 0 ECAERN C[C@H](C(=O)Nc1nccs1)N1CCO[C@H](C[N@H+](C)CC(=O)[O-])C1 ZINC000262895959 298197890 /nfs/dbraw/zinc/19/78/90/298197890.db2.gz PBUGFJDGWPTQOK-GHMZBOCLSA-N 0 0 342.421 0.187 10 0 ECAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCc1cnn(Cc2ccccc2)c1 ZINC000365113436 300420758 /nfs/dbraw/zinc/42/07/58/300420758.db2.gz PYLUENDXPDDRDK-IAGOWNOFSA-N 0 0 342.399 0.529 10 0 ECAERN COC(=O)CSc1nnc(N)n1CC(=O)Nc1ccc(F)cc1 ZINC000001923463 435962745 /nfs/dbraw/zinc/96/27/45/435962745.db2.gz HJAJLQXCXKXVFO-UHFFFAOYSA-N 0 0 339.352 0.903 10 0 ECAERN CCN(CCn1cccn1)C(=O)C[C@H]1C(=O)NCCN1CC=C(C)C ZINC000014957164 436076442 /nfs/dbraw/zinc/07/64/42/436076442.db2.gz FLCJBMDDUKFCSU-INIZCTEOSA-N 0 0 347.463 0.888 10 0 ECAERN O=C(C[C@@H]1C(=O)NCCN1Cc1ccccc1)NCc1ccncn1 ZINC000014978942 436076935 /nfs/dbraw/zinc/07/69/35/436076935.db2.gz MWUXMXXHWFAIQK-MRXNPFEDSA-N 0 0 339.399 0.484 10 0 ECAERN CN1C(=O)CO[C@H](C(=O)N2CCC[C@@](C)(O)C2)[C@@H]1c1ccccc1 ZINC000373044880 301042553 /nfs/dbraw/zinc/04/25/53/301042553.db2.gz HOYIPAXWWGJYKT-XYJFISCASA-N 0 0 332.400 0.958 10 0 ECAERN CC1(C)NC(=O)CC[C@H]1NS(=O)(=O)c1cn2c(n1)CCCC2 ZINC000374716138 301121316 /nfs/dbraw/zinc/12/13/16/301121316.db2.gz GJMDPMZSLFWUSN-SNVBAGLBSA-N 0 0 326.422 0.555 10 0 ECAERN Cc1cccc(C)c1-n1nnnc1CN1CCOC[C@@H]1c1nc[nH]n1 ZINC000375290391 301165029 /nfs/dbraw/zinc/16/50/29/301165029.db2.gz AXGDKRYEYYYHKO-CYBMUJFWSA-N 0 0 340.391 0.971 10 0 ECAERN CCCCS(=O)(=O)N1CCC[C@H]1C(=O)N1CCCNC(=O)[C@H]1C ZINC000375462652 301176791 /nfs/dbraw/zinc/17/67/91/301176791.db2.gz QUAQDJPRQQLBGQ-OLZOCXBDSA-N 0 0 345.465 0.318 10 0 ECAERN CNS(=O)(=O)N1CCC2(C[C@H]2N(C)Cc2nccs2)CC1 ZINC000375691388 301198790 /nfs/dbraw/zinc/19/87/90/301198790.db2.gz TZPYUZBUQIUFDX-LLVKDONJSA-N 0 0 330.479 0.894 10 0 ECAERN C[C@H](CNC(=O)C(=O)Nc1c(F)cc(F)cc1F)N1CCOCC1 ZINC000076238681 436197959 /nfs/dbraw/zinc/19/79/59/436197959.db2.gz MKARKBFAQYBDGT-SECBINFHSA-N 0 0 345.321 0.879 10 0 ECAERN CN(C)C[C@@H](NC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccccc1 ZINC000047594683 436424079 /nfs/dbraw/zinc/42/40/79/436424079.db2.gz YCLCPZJTKYGGAV-ZIAGYGMSSA-N 0 0 325.434 0.776 10 0 ECAERN CC(C)CCn1ccc(NC(=O)NC[C@@H](O)CN2CCOCC2)n1 ZINC000092929963 436477728 /nfs/dbraw/zinc/47/77/28/436477728.db2.gz CKTHNJRJNBBHAK-CQSZACIVSA-N 0 0 339.440 0.744 10 0 ECAERN CCc1nn(C)cc1CNc1ncnc2c1cnn2CC(=O)OC ZINC000092959247 436479635 /nfs/dbraw/zinc/47/96/35/436479635.db2.gz VKVLRFNLSQQKJV-UHFFFAOYSA-N 0 0 329.364 0.907 10 0 ECAERN Cc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000097013035 436536662 /nfs/dbraw/zinc/53/66/62/436536662.db2.gz ZHXJFUMXQFVVBS-NSHDSACASA-N 0 0 348.388 0.570 10 0 ECAERN COCCCNC(=O)N1CC[C@@H](n2c(=O)n(C)c3cncnc32)C1 ZINC000097940733 436544208 /nfs/dbraw/zinc/54/42/08/436544208.db2.gz SCFYZYVBGYUNDK-LLVKDONJSA-N 0 0 334.380 0.123 10 0 ECAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NCCCn1ccnc1 ZINC000054455243 436553225 /nfs/dbraw/zinc/55/32/25/436553225.db2.gz MBDFOBDDADSJKE-ZDUSSCGKSA-N 0 0 328.438 0.594 10 0 ECAERN CN1CCO[C@@H](CNC(=O)NCCc2nnc3n2CCCCC3)C1 ZINC000104780396 436564560 /nfs/dbraw/zinc/56/45/60/436564560.db2.gz WGJYBGYOGJIELB-ZDUSSCGKSA-N 0 0 336.440 0.177 10 0 ECAERN CCN(CC)C(=O)CN(C)C(=O)[C@H](Cc1ccccc1)n1cnnn1 ZINC000105614056 436576664 /nfs/dbraw/zinc/57/66/64/436576664.db2.gz OCSULZKHBACNRT-HNNXBMFYSA-N 0 0 344.419 0.784 10 0 ECAERN CN(CC(=O)NC(N)=O)C[C@H](c1cccs1)N1CCOCC1 ZINC000105874480 436584020 /nfs/dbraw/zinc/58/40/20/436584020.db2.gz PKWIRDSWQLQUED-LLVKDONJSA-N 0 0 326.422 0.248 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)c1cccc(-n3cnnn3)c1)CC2 ZINC000114864807 436644334 /nfs/dbraw/zinc/64/43/34/436644334.db2.gz GLAKEDQUJHRUMT-GFCCVEGCSA-N 0 0 338.375 0.561 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)N1CCC(CC(N)=O)CC1)CC2 ZINC000114931984 436645299 /nfs/dbraw/zinc/64/52/99/436645299.db2.gz BZOTZSIXVVKCQR-GFCCVEGCSA-N 0 0 334.424 0.452 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)NC[C@H](O)COCC(C)C)CC2 ZINC000114975535 436645552 /nfs/dbraw/zinc/64/55/52/436645552.db2.gz ZAFUPADHCQRQCI-STQMWFEESA-N 0 0 339.440 0.488 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)N[C@H](C)CS(=O)(=O)CC)CC2 ZINC000114968766 436645602 /nfs/dbraw/zinc/64/56/02/436645602.db2.gz YLAFXPXUHVKILJ-GHMZBOCLSA-N 0 0 343.453 0.278 10 0 ECAERN NS(=O)(=O)c1cnc(NC[C@@H]2CN(C3CC3)CCO2)c(Cl)c1 ZINC000116884217 436654593 /nfs/dbraw/zinc/65/45/93/436654593.db2.gz JCTQEAJZOKXCOG-SNVBAGLBSA-N 0 0 346.840 0.658 10 0 ECAERN NC(=O)[C@@H]1CN(C[C@@H](O)COCc2ccc(Cl)cc2)CCO1 ZINC000065263191 436654855 /nfs/dbraw/zinc/65/48/55/436654855.db2.gz CLYJRJOWBAYFEV-KGLIPLIRSA-N 0 0 328.796 0.404 10 0 ECAERN O=C(Nc1ccc(Br)cn1)C(=O)N1CCC[C@H]1CO ZINC000194062015 436658643 /nfs/dbraw/zinc/65/86/43/436658643.db2.gz SUAPLDQCMHDSSK-VIFPVBQESA-N 0 0 328.166 0.766 10 0 ECAERN O=C(CCn1[nH]c(=O)c2ccccc2c1=O)N[C@H]1CCCC[C@@H]1CO ZINC000151069848 436695219 /nfs/dbraw/zinc/69/52/19/436695219.db2.gz YHFYKRSDVJDLCF-DOMZBBRYSA-N 0 0 345.399 0.747 10 0 ECAERN COC(=O)c1ccc(-c2nnn(Cc3nnnn3C(C)C)n2)cc1 ZINC000151172916 436698680 /nfs/dbraw/zinc/69/86/80/436698680.db2.gz NLNBYBGWNLGWND-UHFFFAOYSA-N 0 0 328.336 0.742 10 0 ECAERN CCCN1C(=O)N[C@H](CC(=O)N(C)Cc2cn(CC)nc2C)C1=O ZINC000223438146 436706145 /nfs/dbraw/zinc/70/61/45/436706145.db2.gz COKJMIISPFNZFC-CYBMUJFWSA-N 0 0 335.408 0.890 10 0 ECAERN CCCCN(C[C@@H](O)CN1CCCC1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000121053690 436706928 /nfs/dbraw/zinc/70/69/28/436706928.db2.gz KXUDBBLTWRDTOO-ZIAGYGMSSA-N 0 0 332.466 0.259 10 0 ECAERN O=C(NC[C@H](O)COc1cccc(Cl)c1Cl)[C@@H]1CNC(=O)C1 ZINC000195093548 436679521 /nfs/dbraw/zinc/67/95/21/436679521.db2.gz PXUBLAROTGZTKW-IUCAKERBSA-N 0 0 347.198 0.985 10 0 ECAERN CC(C)C[C@H](C[NH+](C)C)NC(=O)C(=O)Nc1ccc(CC(N)=O)cc1 ZINC000121856711 436725868 /nfs/dbraw/zinc/72/58/68/436725868.db2.gz NHAGSTYGXMNZJW-OAHLLOKOSA-N 0 0 348.447 0.745 10 0 ECAERN CN(C(=O)C1=NN(C)C(=O)CC1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000121962046 436730464 /nfs/dbraw/zinc/73/04/64/436730464.db2.gz OSQMWVJXKKWRLV-GFCCVEGCSA-N 0 0 330.392 0.512 10 0 ECAERN O=C(NCC1CCN(C(=O)c2ccccc2)CC1)[C@H]1CNC(=O)C1 ZINC000152745375 436740662 /nfs/dbraw/zinc/74/06/62/436740662.db2.gz JUJDJXNFHFPGKY-OAHLLOKOSA-N 0 0 329.400 0.791 10 0 ECAERN COc1cccc(Cl)c1CC(=O)NC[C@H](O)CN1CCOCC1 ZINC000152972802 436745726 /nfs/dbraw/zinc/74/57/26/436745726.db2.gz VAKQBXMZXONJAL-LBPRGKRZSA-N 0 0 342.823 0.700 10 0 ECAERN C[C@H](NC(=O)N1CCO[C@@H](Cn2cccn2)C1)C(=O)N1CCCCC1 ZINC000153417107 436756048 /nfs/dbraw/zinc/75/60/48/436756048.db2.gz YUJUYCGKRVWLCB-LSDHHAIUSA-N 0 0 349.435 0.695 10 0 ECAERN Cc1cnn(Cc2cc(C(=O)N3CC[C@H](N4CCOCC4)C3)no2)c1 ZINC000153740099 436761766 /nfs/dbraw/zinc/76/17/66/436761766.db2.gz BDCYAZQJRZMWOP-AWEZNQCLSA-N 0 0 345.403 0.775 10 0 ECAERN COC(=O)[C@@H]1CCC[C@H](C(=O)N2CCN(C[C@@H](C)O)[C@@H](C)C2)C1 ZINC000245414648 436761833 /nfs/dbraw/zinc/76/18/33/436761833.db2.gz CMMNGQOLMHNFRH-LJISPDSOSA-N 0 0 326.437 0.879 10 0 ECAERN NC(=O)[C@H](O)CNc1ncc(Br)cc1Br ZINC000228597520 436715524 /nfs/dbraw/zinc/71/55/24/436715524.db2.gz RZVDAVDCSZJJAP-ZCFIWIBFSA-N 0 0 338.987 0.865 10 0 ECAERN COC(=O)[C@@H](C)CS(=O)(=O)N1CCC(c2ccnn2C)CC1 ZINC000152042513 436718252 /nfs/dbraw/zinc/71/82/52/436718252.db2.gz BCAJWEMJWMBPOC-NSHDSACASA-N 0 0 329.422 0.738 10 0 ECAERN CNC(=O)c1cccc(CCNC(=O)NC[C@H]2CN(C)CCO2)c1 ZINC000128164863 436812521 /nfs/dbraw/zinc/81/25/21/436812521.db2.gz WFXRWTJNWDJZBX-HNNXBMFYSA-N 0 0 334.420 0.219 10 0 ECAERN CC(C)CCS(=O)(=O)N1CCN(c2ccc3nncn3n2)CC1 ZINC000128466376 436814832 /nfs/dbraw/zinc/81/48/32/436814832.db2.gz BVZAXRBYFIXVKD-UHFFFAOYSA-N 0 0 338.437 0.622 10 0 ECAERN CNS(=O)(=O)c1cccc(C(=O)O[C@H]2CCCCNC2=O)c1 ZINC000069531720 436779369 /nfs/dbraw/zinc/77/93/69/436779369.db2.gz AJNMDHFDBOIINW-LBPRGKRZSA-N 0 0 326.374 0.420 10 0 ECAERN COCCN1CCN(C(=O)N[C@H](C)CN2CCCC2=O)C[C@H]1C ZINC000247117987 436789805 /nfs/dbraw/zinc/78/98/05/436789805.db2.gz NUXBXGSAJQVTPV-ZIAGYGMSSA-N 0 0 326.441 0.359 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)N[C@H](CCO)CSC)CC2 ZINC000155166786 436791727 /nfs/dbraw/zinc/79/17/27/436791727.db2.gz FHFMPRCDQUSWLS-GHMZBOCLSA-N 0 0 327.454 0.569 10 0 ECAERN CCc1nc2n(n1)C[C@H](NC(=O)Nc1c(C)ccn(C)c1=O)CC2 ZINC000155317952 436792575 /nfs/dbraw/zinc/79/25/75/436792575.db2.gz LSFSNUMVXUEXTI-LLVKDONJSA-N 0 0 330.392 0.984 10 0 ECAERN CNC(=O)[C@@H]1CCCN1C(=O)NCc1ccnc(-n2cccn2)c1 ZINC000155716514 436801468 /nfs/dbraw/zinc/80/14/68/436801468.db2.gz WNQYGFLRGCQYIQ-ZDUSSCGKSA-N 0 0 328.376 0.687 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)N[C@@H](C)[C@H](C)N2CCOCC2)CC1 ZINC000248486705 436804386 /nfs/dbraw/zinc/80/43/86/436804386.db2.gz LKUIJKNNGVMKKW-JYJNAYRXSA-N 0 0 342.484 0.194 10 0 ECAERN CNC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCC[C@@H]2O)cc1 ZINC000158325022 436842470 /nfs/dbraw/zinc/84/24/70/436842470.db2.gz VALIIKMQSYRHGQ-JSGCOSHPSA-N 0 0 326.418 0.876 10 0 ECAERN CN1CCO[C@H](CNC(=O)N2CCC(N3CCCCC3=O)CC2)C1 ZINC000132420598 436864934 /nfs/dbraw/zinc/86/49/34/436864934.db2.gz DVRJEVLCYVFHAX-OAHLLOKOSA-N 0 0 338.452 0.504 10 0 ECAERN CC(C)(C)OC[C@@H](O)CN1CCN(c2ncccc2C(N)=O)CC1 ZINC000157996290 436836647 /nfs/dbraw/zinc/83/66/47/436836647.db2.gz YFEORZIOJDORPD-ZDUSSCGKSA-N 0 0 336.436 0.479 10 0 ECAERN CC(C)[C@H](O)CC(=O)NCCN(C)S(=O)(=O)c1cccs1 ZINC000162916601 436913931 /nfs/dbraw/zinc/91/39/31/436913931.db2.gz CGSCPKJTKWIGBQ-LLVKDONJSA-N 0 0 334.463 0.892 10 0 ECAERN CC[C@@H]1CN(C(=O)C(=O)Nc2ccc(F)nc2)CCN1C[C@@H](C)O ZINC000163476207 436924390 /nfs/dbraw/zinc/92/43/90/436924390.db2.gz SUUDMGNTBKQOHI-DGCLKSJQSA-N 0 0 338.383 0.463 10 0 ECAERN CNC(=O)Cn1cc(NC(=O)C(=O)N[C@@H](C)c2ccccc2C)cn1 ZINC000133328912 436877619 /nfs/dbraw/zinc/87/76/19/436877619.db2.gz BMWGYRKUXYUHJD-LBPRGKRZSA-N 0 0 343.387 0.753 10 0 ECAERN CCOCCN1CCN(C(=O)[C@H]2CCN(C(=O)CC)C2)C[C@H]1C ZINC000161995342 436900742 /nfs/dbraw/zinc/90/07/42/436900742.db2.gz JMMQPGCMRFJAFA-CABCVRRESA-N 0 0 325.453 0.814 10 0 ECAERN CCC(=O)N1CC[C@@H](NC(=O)N2CCO[C@@H](Cn3cc(C)cn3)C2)C1 ZINC000135158734 436909843 /nfs/dbraw/zinc/90/98/43/436909843.db2.gz VGNIBJXOTUBONZ-HUUCEWRRSA-N 0 0 349.435 0.613 10 0 ECAERN CCn1cc(S(=O)(=O)NC2CC([N@H+](CC)CC(=O)[O-])C2)nc1C ZINC000263488411 436968755 /nfs/dbraw/zinc/96/87/55/436968755.db2.gz NQSKBYJIMIOFTO-UHFFFAOYSA-N 0 0 344.437 0.427 10 0 ECAERN C[N@@H+](CC(=O)[O-])C[C@H]1CN(C(=O)[C@@H]2CCc3ccccc32)CCO1 ZINC000263008664 436948331 /nfs/dbraw/zinc/94/83/31/436948331.db2.gz YFXVHUMVHZECPA-GOEBONIOSA-N 0 0 332.400 0.960 10 0 ECAERN CCCS(=O)(=O)N1CCC(NC(=O)[C@H]2CC(F)(F)CN2)CC1 ZINC000263030419 436949266 /nfs/dbraw/zinc/94/92/66/436949266.db2.gz RWJSEEKCPNADBD-LLVKDONJSA-N 0 0 339.408 0.304 10 0 ECAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)c2cccc(-n3ccnn3)c2)C1 ZINC000263040338 436949971 /nfs/dbraw/zinc/94/99/71/436949971.db2.gz DOPTUHBCJOLBPI-UHFFFAOYSA-N 0 0 343.387 0.935 10 0 ECAERN O=C(NC[C@]1(N2CCOCC2)CCSC1)[C@@H]1CC(F)(F)CN1 ZINC000263075233 436951201 /nfs/dbraw/zinc/95/12/01/436951201.db2.gz XBBJODUFGNCVLX-WCQYABFASA-N 0 0 335.420 0.308 10 0 ECAERN C[C@@H]1C[C@@H]1NC(=O)C(=O)Nc1ccc(C(=O)N2CCN(C)CC2)cc1 ZINC000170821792 436954461 /nfs/dbraw/zinc/95/44/61/436954461.db2.gz UCDSNGACISHLOV-DOMZBBRYSA-N 0 0 344.415 0.537 10 0 ECAERN Cc1nc(C[C@@H]2CCCN(Cc3nc(N)nc(N(C)C)n3)C2)no1 ZINC000171653912 436984086 /nfs/dbraw/zinc/98/40/86/436984086.db2.gz PORFQBMNCSVWFO-NSHDSACASA-N 0 0 332.412 0.666 10 0 ECAERN O=C(c1ccc2nccn2c1)N1CCN(c2ccc3nncn3n2)CC1 ZINC000172350169 437010187 /nfs/dbraw/zinc/01/01/87/437010187.db2.gz GJYYTLDXZOQOGM-UHFFFAOYSA-N 0 0 348.370 0.734 10 0 ECAERN C[C@@H](NC(=O)N(C)[C@H]1CCCN(c2cccnn2)C1)C(=O)N(C)C ZINC000172446690 437014183 /nfs/dbraw/zinc/01/41/83/437014183.db2.gz CJTNBGVRZJNEFS-OLZOCXBDSA-N 0 0 334.424 0.564 10 0 ECAERN Cc1nnc([C@@H]2CN([C@@H](C)c3nc(N)nc(N(C)C)n3)CCO2)[nH]1 ZINC000173656114 437059715 /nfs/dbraw/zinc/05/97/15/437059715.db2.gz MAOCJIKJPASFMU-WPRPVWTQSA-N 0 0 333.400 0.081 10 0 ECAERN COc1ccc(C(=O)N2C[C@H](C(N)=O)[C@@H](c3cnn(C)c3)C2)c(F)c1 ZINC000284672103 437060429 /nfs/dbraw/zinc/06/04/29/437060429.db2.gz VQAWBJCQKSPSQP-KGLIPLIRSA-N 0 0 346.362 0.909 10 0 ECAERN Cc1nnc([C@H]2CN(C(=O)CNC(=O)c3ccc(F)cc3)CCO2)[nH]1 ZINC000173755162 437061101 /nfs/dbraw/zinc/06/11/01/437061101.db2.gz CNNKDUIZVCFUBE-CYBMUJFWSA-N 0 0 347.350 0.582 10 0 ECAERN Cc1nnc([C@@H]2CN(S(=O)(=O)N3CCCCCC3)CCO2)[nH]1 ZINC000173734647 437061389 /nfs/dbraw/zinc/06/13/89/437061389.db2.gz HPJLOGZDZJTNHR-LBPRGKRZSA-N 0 0 329.426 0.607 10 0 ECAERN CC1(C)COCCN1CCNC(=O)N1CCC[C@H](n2cncn2)C1 ZINC000174692252 437084340 /nfs/dbraw/zinc/08/43/40/437084340.db2.gz UQEHEJXIHIJZKL-AWEZNQCLSA-N 0 0 336.440 0.735 10 0 ECAERN COCCCS(=O)(=O)NCCN1CCC[C@H](n2cc(C)cn2)C1 ZINC000175204215 437097705 /nfs/dbraw/zinc/09/77/05/437097705.db2.gz MMRMLRTYYOYYTP-HNNXBMFYSA-N 0 0 344.481 0.784 10 0 ECAERN COc1ccc(CNC(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)cn1 ZINC000175645974 437111593 /nfs/dbraw/zinc/11/15/93/437111593.db2.gz JQHUZRQGLCIWHV-DZGCQCFKSA-N 0 0 334.420 0.952 10 0 ECAERN [NH3+]CC[C@H]1CN(c2nccc(-c3cc(C(=O)[O-])ccn3)n2)CCO1 ZINC000072438408 303390102 /nfs/dbraw/zinc/39/01/02/303390102.db2.gz UVZUOCSDRRYKSP-LBPRGKRZSA-N 0 0 329.360 0.791 10 0 ECAERN C[C@H]1CN(C(=O)CCOC2CCOCC2)C[C@H]1N1CCOCC1 ZINC000175449110 437104291 /nfs/dbraw/zinc/10/42/91/437104291.db2.gz VIFNOYANNWLVHH-GOEBONIOSA-N 0 0 326.437 0.751 10 0 ECAERN NC(=O)c1ccc(OCCC(=O)N[C@H]2CCc3ncnn3C2)cc1 ZINC000176372223 437142334 /nfs/dbraw/zinc/14/23/34/437142334.db2.gz BQCNAGONRNZBAW-LBPRGKRZSA-N 0 0 329.360 0.277 10 0 ECAERN Cc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3CN(C)CCO3)C2=O)cc1 ZINC000176432583 437143159 /nfs/dbraw/zinc/14/31/59/437143159.db2.gz WYNZIIVVMUDJNQ-CVEARBPZSA-N 0 0 346.431 0.730 10 0 ECAERN Cc1cc(C)c(OCC(=O)NC[C@@H](O)CN2CCOCC2)c(C)c1 ZINC000176439045 437143724 /nfs/dbraw/zinc/14/37/24/437143724.db2.gz HWWNJPMTIREOKR-MRXNPFEDSA-N 0 0 336.432 0.800 10 0 ECAERN CC(C)n1nnnc1C[S@](=O)CC(=O)NCc1ccccc1F ZINC000176572008 437147858 /nfs/dbraw/zinc/14/78/58/437147858.db2.gz DQXXKUACYAQSKC-QHCPKHFHSA-N 0 0 339.396 0.958 10 0 ECAERN C[C@@H](NC(N)=O)C(=O)NC[C@@H](c1cccs1)N1CCO[C@H](C)C1 ZINC000176600145 437150308 /nfs/dbraw/zinc/15/03/08/437150308.db2.gz QKRXPFGKVCUHAC-UTUOFQBUSA-N 0 0 340.449 0.683 10 0 ECAERN CCN(CC)C(=O)[C@@H]1CCCN1C(=O)NCc1ccc(C(N)=O)o1 ZINC000176642647 437152228 /nfs/dbraw/zinc/15/22/28/437152228.db2.gz ZODRJGKECMRXKV-LBPRGKRZSA-N 0 0 336.392 0.921 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)CC2(CS(C)(=O)=O)CC2)CC1 ZINC000176781377 437156717 /nfs/dbraw/zinc/15/67/17/437156717.db2.gz IXGXBBZJLPWQQD-ZDUSSCGKSA-N 0 0 332.466 0.116 10 0 ECAERN O=C(c1cccn1Cc1ccccc1)N1CC[C@]2(C1)NC(=O)NC2=O ZINC000304975714 437160967 /nfs/dbraw/zinc/16/09/67/437160967.db2.gz SNNKVEYVYUGTBI-GOSISDBHSA-N 0 0 338.367 0.961 10 0 ECAERN Cc1nccn1C[C@H]1CCCN1C(=O)CCC(=O)N1CCOCC1 ZINC000177149889 437171699 /nfs/dbraw/zinc/17/16/99/437171699.db2.gz GGPUSQBPLNJJDC-OAHLLOKOSA-N 0 0 334.420 0.822 10 0 ECAERN NC(=O)c1cccc(NC(=O)C(=O)N2CCN3CCCC[C@H]3C2)c1 ZINC000177387349 437179610 /nfs/dbraw/zinc/17/96/10/437179610.db2.gz BTFUXMZBDPSLHI-AWEZNQCLSA-N 0 0 330.388 0.421 10 0 ECAERN Cc1ccc(C(N)=O)cc1NC(=O)C(=O)N1CCN2CCCC[C@H]2C1 ZINC000177389564 437182021 /nfs/dbraw/zinc/18/20/21/437182021.db2.gz CXWKLSKXBXTPBZ-AWEZNQCLSA-N 0 0 344.415 0.729 10 0 ECAERN O=C(CSC[C@@H](O)CO)N1CCN(Cc2cccs2)CC1 ZINC000177413298 437182776 /nfs/dbraw/zinc/18/27/76/437182776.db2.gz QQNRNQNJHOQXBM-LBPRGKRZSA-N 0 0 330.475 0.479 10 0 ECAERN Cc1cccc(CN2CCN(C(=O)CSC[C@H](O)CO)CC2)c1 ZINC000177433459 437182791 /nfs/dbraw/zinc/18/27/91/437182791.db2.gz GITARARWXCSTQZ-MRXNPFEDSA-N 0 0 338.473 0.726 10 0 ECAERN CNC(=O)[C@H](NC(=O)NCC(=O)NCCc1ccccc1)C(C)C ZINC000178408788 437214163 /nfs/dbraw/zinc/21/41/63/437214163.db2.gz DVKKRXVZPVNCET-OAHLLOKOSA-N 0 0 334.420 0.415 10 0 ECAERN CCn1c2ccccc2n(CC(=O)N[C@@H](C(=O)NC)C(C)C)c1=O ZINC000178729859 437227196 /nfs/dbraw/zinc/22/71/96/437227196.db2.gz OJUAWQPERLLRKF-OAHLLOKOSA-N 0 0 332.404 0.710 10 0 ECAERN Cc1nnc2n1CCN(C1CN(C(=O)COc3ccccc3)C1)C2 ZINC000328631148 437242176 /nfs/dbraw/zinc/24/21/76/437242176.db2.gz KCTQQBYNYUMFKC-UHFFFAOYSA-N 0 0 327.388 0.692 10 0 ECAERN CN1CCN(S(=O)(=O)c2cccc(C(N)=O)c2)C[C@H]1c1ncc[nH]1 ZINC000328625517 437242216 /nfs/dbraw/zinc/24/22/16/437242216.db2.gz KUZVNAAYWYBQAQ-ZDUSSCGKSA-N 0 0 349.416 0.970 10 0 ECAERN CCCn1nnnc1CN[C@@H]1CC(=O)N(C)[C@H]1c1cnn(C)c1C ZINC000328631613 437244006 /nfs/dbraw/zinc/24/40/06/437244006.db2.gz RCDNROCUKKJAAH-DOMZBBRYSA-N 0 0 332.412 0.187 10 0 ECAERN CCc1nc2n(n1)C[C@@H](NC(=O)N1CC(OCCCOC)C1)CC2 ZINC000179668194 437271190 /nfs/dbraw/zinc/27/11/90/437271190.db2.gz XWKYAIYBCHSPQW-LBPRGKRZSA-N 0 0 337.424 0.602 10 0 ECAERN Cc1ccc([C@@H](C)NCC(=O)NCCCN(C)S(C)(=O)=O)o1 ZINC000182598527 437355519 /nfs/dbraw/zinc/35/55/19/437355519.db2.gz DLJLVXODTQCHCN-GFCCVEGCSA-N 0 0 331.438 0.636 10 0 ECAERN Cn1nc(C2CCCC2)cc1NC(=O)C(=O)NC[C@@H]1CN(C)CCO1 ZINC000183065610 437373665 /nfs/dbraw/zinc/37/36/65/437373665.db2.gz UXLUKIRCJBVLIT-CYBMUJFWSA-N 0 0 349.435 0.463 10 0 ECAERN COC[C@@H](C)C(=O)N[C@H](Cc1ccccc1)C(=O)N1CCOCC1 ZINC000184501076 437403916 /nfs/dbraw/zinc/40/39/16/437403916.db2.gz HHNZTJPPFHSTTB-GDBMZVCRSA-N 0 0 334.416 0.855 10 0 ECAERN CC[C@H](O)CN1CCN(C(=O)N[C@@H](C)CN2CCCC2=O)CC1 ZINC000184921094 437417396 /nfs/dbraw/zinc/41/73/96/437417396.db2.gz HXXHSFDNOPTSBV-KBPBESRZSA-N 0 0 326.441 0.095 10 0 ECAERN COCC(=O)NC1CN(C[C@H](O)COCc2ccc(Cl)cc2)C1 ZINC000185087388 437423816 /nfs/dbraw/zinc/42/38/16/437423816.db2.gz XNUVACZMTJDVHH-HNNXBMFYSA-N 0 0 342.823 0.664 10 0 ECAERN COCC(=O)NC1CN(C(=O)NC[C@@H](C)c2nc(C)cs2)C1 ZINC000185802012 437451323 /nfs/dbraw/zinc/45/13/23/437451323.db2.gz HJPMWJKISMYQOH-SECBINFHSA-N 0 0 326.422 0.711 10 0 ECAERN COc1c(CNc2ccc(S(=O)(=O)N(C)C)cn2)c(C)nn1C ZINC000185981527 437456918 /nfs/dbraw/zinc/45/69/18/437456918.db2.gz DPWOYISWTFBFMS-UHFFFAOYSA-N 0 0 339.421 0.995 10 0 ECAERN CCOC(=O)c1nn(C)cc1CN1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000186261920 437467790 /nfs/dbraw/zinc/46/77/90/437467790.db2.gz AHSAHCDUNKPZSF-DZGCQCFKSA-N 0 0 336.436 0.749 10 0 ECAERN Cc1cc(N2CCC[C@H](NS(=O)(=O)c3ccco3)C2=O)n(C)n1 ZINC000188736137 437569320 /nfs/dbraw/zinc/56/93/20/437569320.db2.gz SUJDHKHAIJCFAV-NSHDSACASA-N 0 0 338.389 0.795 10 0 ECAERN CC(=O)NC1CN(C(=O)Cc2ccc(S(=O)(=O)C(C)C)cc2)C1 ZINC000190513484 437629185 /nfs/dbraw/zinc/62/91/85/437629185.db2.gz NTHJSFFPKHNCSR-UHFFFAOYSA-N 0 0 338.429 0.758 10 0 ECAERN Cc1c(C(=O)NC[C@H]2CN(C)CCO2)nnn1Cc1ccc(F)cc1 ZINC000192467613 437678433 /nfs/dbraw/zinc/67/84/33/437678433.db2.gz RFSUQSCVIRQCOM-HNNXBMFYSA-N 0 0 347.394 0.834 10 0 ECAERN CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)CC(=O)N3C)C1 ZINC000192739175 437688956 /nfs/dbraw/zinc/68/89/56/437688956.db2.gz XWTGURXOGBFUKE-CQSZACIVSA-N 0 0 344.415 0.745 10 0 ECAERN CN(CC(=O)OC(C)(C)C)[C@@H]1CCCN(Cc2nnn(C)n2)CC1 ZINC000193493789 437711322 /nfs/dbraw/zinc/71/13/22/437711322.db2.gz LRPZXTPNNOSUGQ-CYBMUJFWSA-N 0 0 338.456 0.838 10 0 ECAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCC1(c2ccccc2)CCOCC1 ZINC000370455245 437786640 /nfs/dbraw/zinc/78/66/40/437786640.db2.gz ONRVFPODDNJREL-IAGOWNOFSA-N 0 0 346.427 0.833 10 0 ECAERN Cn1cc([C@@H]2[C@@H](C(=O)N3C[C@@H](O)C(C)(C)C3)CCC(=O)N2C)cn1 ZINC000365794633 437972268 /nfs/dbraw/zinc/97/22/68/437972268.db2.gz KNQCXUQZIYARRC-GZBFAFLISA-N 0 0 334.420 0.559 10 0 ECAERN C[C@@H]1CSCCN1C(=O)N[C@@H]1CCC(=O)N[C@@H]1[C@@H]1CCCO1 ZINC000378067732 438346465 /nfs/dbraw/zinc/34/64/65/438346465.db2.gz FBMUPHFLEQHMNL-NMKXLXIOSA-N 0 0 327.450 0.960 10 0 ECAERN Cc1nc2c(cnn2C)c(N2CC[C@](O)(c3cn(C(C)C)nn3)C2)n1 ZINC000583615092 439485605 /nfs/dbraw/zinc/48/56/05/439485605.db2.gz MCMOHUWCKDPLIH-MRXNPFEDSA-N 0 0 342.407 0.942 10 0 ECAERN O=C(CN1CCC[C@](O)(c2cn[nH]n2)C1)N1CCc2ccccc21 ZINC000583618054 439487745 /nfs/dbraw/zinc/48/77/45/439487745.db2.gz YHPMSDMRGOLITM-QGZVFWFLSA-N 0 0 327.388 0.677 10 0 ECAERN CN1C[C@@H](NC(=O)CN2CCC(=O)NC2=O)CC[C@@H]1C(F)(F)F ZINC000583620019 439489302 /nfs/dbraw/zinc/48/93/02/439489302.db2.gz JJOYSJBSTIIGBT-DTWKUNHWSA-N 0 0 336.314 0.070 10 0 ECAERN CC(=O)N1C[C@@H](NC(=O)CN2CCCC2=O)CC[C@@H]1C(F)(F)F ZINC000583619978 439489672 /nfs/dbraw/zinc/48/96/72/439489672.db2.gz DFSQQQGRPPIVJD-WDEREUQCSA-N 0 0 335.326 0.667 10 0 ECAERN NS(=O)(=O)c1cccc(-c2ccc(CO)nc2)c1-c1nn[nH]n1 ZINC000584596491 439603982 /nfs/dbraw/zinc/60/39/82/439603982.db2.gz HBXLIZYOJWSEST-UHFFFAOYSA-N 0 0 332.345 0.068 10 0 ECAERN O=C([O-])[C@H](CCCC[NH+](CCO)CCO)NC(=O)c1ccccc1 ZINC000584605470 439605372 /nfs/dbraw/zinc/60/53/72/439605372.db2.gz QZVLRJOBGJIZAT-HNNXBMFYSA-N 0 0 338.404 0.327 10 0 ECAERN NC(=O)c1ccc([C@H]2CN(S(N)(=O)=O)c3ccccc3N2)cc1 ZINC000616690766 439820877 /nfs/dbraw/zinc/82/08/77/439820877.db2.gz GYVBHEFTVIPTFJ-CYBMUJFWSA-N 0 0 332.385 0.962 10 0 ECAERN O=C(CN1CCc2ccccc2C1=O)N[C@H]1C[C@@H](O)[C@@H]1n1cccn1 ZINC000616775796 439822227 /nfs/dbraw/zinc/82/22/27/439822227.db2.gz ZNBVCRLBKBTFCZ-ZMSDIMECSA-N 0 0 340.383 0.372 10 0 ECAERN NC(=O)c1cn([C@@H]2CCN(C(=O)NCc3ccccc3F)C2)nn1 ZINC000643693435 440265529 /nfs/dbraw/zinc/26/55/29/440265529.db2.gz MUTFVBYYACAVSF-LLVKDONJSA-N 0 0 332.339 0.673 10 0 ECAERN COC[C@@]1(C(N)=O)CCCN1S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000643701861 440270120 /nfs/dbraw/zinc/27/01/20/440270120.db2.gz ISABWAQUJGYHEW-OAHLLOKOSA-N 0 0 340.401 0.277 10 0 ECAERN CC(=O)N[C@@H](C(=O)N1CC(OCc2nnc(C)o2)C1)C1CCCC1 ZINC000644223296 440478494 /nfs/dbraw/zinc/47/84/94/440478494.db2.gz ZKUQXLQQLSLFFJ-OAHLLOKOSA-N 0 0 336.392 0.800 10 0 ECAERN Cn1cc(O[C@@H]2CN(C(=O)c3cnn4ccccc34)C[C@H]2O)cn1 ZINC000628259132 440445047 /nfs/dbraw/zinc/44/50/47/440445047.db2.gz IIEQUWCQWHHRKH-HUUCEWRRSA-N 0 0 327.344 0.332 10 0 ECAERN O=C(CN1CCCC[C@@H](O)C1=O)NC1(c2ccc3c(c2)OCO3)CC1 ZINC000644400019 440569164 /nfs/dbraw/zinc/56/91/64/440569164.db2.gz CJCJXICOKVAOFM-CYBMUJFWSA-N 0 0 346.383 0.894 10 0 ECAERN Cc1nnc2n1C[C@@H](C(=O)N1CC=C(c3ccnn3C)CC1)N(C)C2 ZINC000644462162 440604922 /nfs/dbraw/zinc/60/49/22/440604922.db2.gz KPWNPWKAUXFQGP-HNNXBMFYSA-N 0 0 341.419 0.450 10 0 ECAERN Cc1cnn(C[C@H]2CN(S(=O)(=O)N3CCC[C@H]3C)CCO2)c1 ZINC000248735194 320543559 /nfs/dbraw/zinc/54/35/59/320543559.db2.gz QQLYIHCACHIGTM-KGLIPLIRSA-N 0 0 328.438 0.621 10 0 ECAERN Cn1c2c(nc1N1CCC[C@H](n3cccn3)C1)n(C)c(=O)[nH]c2=O ZINC000328680759 320726808 /nfs/dbraw/zinc/72/68/08/320726808.db2.gz CEEPMLFKHOLEAM-JTQLQIEISA-N 0 0 329.364 0.411 10 0 ECAERN O=S(=O)(c1cccnc1N1CC(n2ccnn2)C1)N1CCCCC1 ZINC000328725670 320729392 /nfs/dbraw/zinc/72/93/92/320729392.db2.gz ZGHCBHWEERUJDO-UHFFFAOYSA-N 0 0 348.432 0.909 10 0 ECAERN O=C(Cn1ncc(=O)c2ccccc21)N1CCOC[C@@]12CCOC2 ZINC000328721845 320729576 /nfs/dbraw/zinc/72/95/76/320729576.db2.gz RNRUBWSNZLMQIV-KRWDZBQOSA-N 0 0 329.356 0.414 10 0 ECAERN CN(C)c1nccc(N2CCN(C(=O)[C@]3(O)CCSC3)CC2)n1 ZINC000328970131 320745874 /nfs/dbraw/zinc/74/58/74/320745874.db2.gz OJXLOYZQIBLRHN-HNNXBMFYSA-N 0 0 337.449 0.059 10 0 ECAERN C[C@]1(C[C@@H]2CCCN2S(=O)(=O)[C@@H]2CCCOC2)NC(=O)NC1=O ZINC000329086924 320752511 /nfs/dbraw/zinc/75/25/11/320752511.db2.gz UYZJWFSAJHMCJF-MISXGVKJSA-N 0 0 345.421 0.993 10 0 ECAERN CN1CCN(C(=O)C2(O)CCOCC2)C[C@@H]1c1nc(C2CC2)no1 ZINC000329154307 320756777 /nfs/dbraw/zinc/75/67/77/320756777.db2.gz BICLVEDLZGFOKU-GFCCVEGCSA-N 0 0 336.392 0.304 10 0 ECAERN Cc1nccnc1N1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CC1 ZINC000329568154 320778865 /nfs/dbraw/zinc/77/88/65/320778865.db2.gz LMYXSOCHRSDWGP-SOUVJXGZSA-N 0 0 332.404 0.485 10 0 ECAERN C[C@@H](CC(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1)N1CCCCC1=O ZINC000329954095 320797404 /nfs/dbraw/zinc/79/74/04/320797404.db2.gz JUNHRBPNDVFHOD-STQMWFEESA-N 0 0 345.465 0.270 10 0 ECAERN C[C@@H]1COCCN1C(=O)[C@@H]1CC[C@@H](C(=O)N2CCOC[C@H]2C)O1 ZINC000330254957 320812908 /nfs/dbraw/zinc/81/29/08/320812908.db2.gz JSQADTZPOWSIKA-MQYQWHSLSA-N 0 0 326.393 0.029 10 0 ECAERN CC(C)O[C@]1(C(=O)N2CC[C@@H](N3CCOCC3)[C@H]2C)CCOC1 ZINC000333143164 320913261 /nfs/dbraw/zinc/91/32/61/320913261.db2.gz ZGAHRJBATVCWEV-BFYDXBDKSA-N 0 0 326.437 0.892 10 0 ECAERN CCn1cc([C@H]2OCC[C@@H]2NC(=O)N2CCn3nc(C)nc3C2)cn1 ZINC000333746502 320925078 /nfs/dbraw/zinc/92/50/78/320925078.db2.gz SDMHTQIRJRMMFH-DZGCQCFKSA-N 0 0 345.407 0.858 10 0 ECAERN O[C@@H]1CCC[C@H]1[C@@H]1COCCN1Cc1nnn(CC(F)(F)F)n1 ZINC000345760405 321199908 /nfs/dbraw/zinc/19/99/08/321199908.db2.gz LPUXCZSKIZKVCY-GARJFASQSA-N 0 0 335.330 0.597 10 0 ECAERN CC(C)(C)OC(=O)[C@H]1CSCCN1C(=O)[C@H]1CCCC(=O)N1 ZINC000354259582 321459666 /nfs/dbraw/zinc/45/96/66/321459666.db2.gz GNAUXILUJHDPBU-GHMZBOCLSA-N 0 0 328.434 0.941 10 0 ECAERN COC[C@@H]1CN(C(=O)N[C@@H]2CCCC[C@H]2S(C)(=O)=O)C[C@H](C)O1 ZINC000366523312 321670692 /nfs/dbraw/zinc/67/06/92/321670692.db2.gz TUKUEDWOYWNVIK-IGQOVBAYSA-N 0 0 348.465 0.788 10 0 ECAERN Cn1nccc1[C@@H]1OCC[C@H]1CNC(=O)Nc1nccn(C)c1=O ZINC000574230694 322775677 /nfs/dbraw/zinc/77/56/77/322775677.db2.gz RIASNSOYTDKEJF-CMPLNLGQSA-N 0 0 332.364 0.413 10 0 ECAERN C[C@H]1CN(C(=O)C(=O)Nc2cnn(Cc3ccncc3)c2)C[C@H](C)O1 ZINC000178783932 533820099 /nfs/dbraw/zinc/82/00/99/533820099.db2.gz DCQGIMQDZVOGBY-STQMWFEESA-N 0 0 343.387 0.901 10 0 ECAERN C[C@H]1CN(C(=O)c2ccnc(-n3cncn3)c2)C[C@@H]1N1CCOCC1 ZINC000173889004 533889559 /nfs/dbraw/zinc/88/95/59/533889559.db2.gz ZEDSIQXEOHBPKM-ZFWWWQNUSA-N 0 0 342.403 0.455 10 0 ECAERN Cn1nccc1C1CCN(C(=O)CN2C(=O)NC(C)(C)C2=O)CC1 ZINC000124552725 518195673 /nfs/dbraw/zinc/19/56/73/518195673.db2.gz DEIHIASBUSKZPY-UHFFFAOYSA-N 0 0 333.392 0.457 10 0 ECAERN C[C@@H]1CN(C(=O)c2ccc(-n3cnnn3)cc2)C[C@@H]1N1CCOCC1 ZINC000173973653 534410689 /nfs/dbraw/zinc/41/06/89/534410689.db2.gz JJDQUNOBRCPFPH-CJNGLKHVSA-N 0 0 342.403 0.455 10 0 ECAERN O=C(N[C@@H]1CCc2ncnn2C1)c1cn(Cc2cccs2)nn1 ZINC000173372337 534778104 /nfs/dbraw/zinc/77/81/04/534778104.db2.gz GBMRWYWTSKNJTD-SNVBAGLBSA-N 0 0 329.389 0.724 10 0 ECAERN CC(=O)NC1CN(C(=O)C(=O)Nc2ccc(-c3cnc(C)o3)cc2)C1 ZINC000191342091 526705338 /nfs/dbraw/zinc/70/53/38/526705338.db2.gz PCWDGYMZHMZTFQ-UHFFFAOYSA-N 0 0 342.355 0.935 10 0 ECAERN CC(=O)NC1CN(C(=O)C(=O)Nc2ccccc2N2CCCCC2)C1 ZINC000191345700 526705663 /nfs/dbraw/zinc/70/56/63/526705663.db2.gz QAEJBJQIMSLUBA-UHFFFAOYSA-N 0 0 344.415 0.962 10 0 ECAERN CC(=O)c1ccc(OC[C@@H](O)CN2CC(NC(=O)C3CC3)C2)cc1 ZINC000187982488 527326413 /nfs/dbraw/zinc/32/64/13/527326413.db2.gz PVDSJCKPJLELNY-INIZCTEOSA-N 0 0 332.400 0.839 10 0 ECAERN COc1ccc(S(=O)(=O)N(C)C[C@@H]2CN(C)CCO2)cc1OC ZINC000074774978 545685042 /nfs/dbraw/zinc/68/50/42/545685042.db2.gz YCCHTGCNVDXAFA-LBPRGKRZSA-N 0 0 344.433 0.655 10 0 ECAERN COc1ccc(S(=O)(=O)NC[C@H]2CC(=O)N(C)C2)cc1OC ZINC000074863301 545686029 /nfs/dbraw/zinc/68/60/29/545686029.db2.gz FZYZFOYEHNVPKT-SNVBAGLBSA-N 0 0 328.390 0.460 10 0 ECAERN CC(C)(C)n1cc(CN2CCN(C(=O)[C@H]3CCNC(=O)C3)CC2)cn1 ZINC000123369844 545757940 /nfs/dbraw/zinc/75/79/40/545757940.db2.gz FVVVZYYXTMNHEO-HNNXBMFYSA-N 0 0 347.463 0.809 10 0 ECAERN CCS(=O)(=O)c1cccc(C(=O)N[C@@H](C(=O)NC)C(C)C)c1 ZINC000179369034 545881681 /nfs/dbraw/zinc/88/16/81/545881681.db2.gz GYRBPKHWMHDUOX-CYBMUJFWSA-N 0 0 326.418 0.981 10 0 ECAERN CNc1cc(N2CCC[C@@H]2CNC(=O)NCC2(CO)CCC2)ncn1 ZINC000181867340 545888086 /nfs/dbraw/zinc/88/80/86/545888086.db2.gz LQEAHKCTTGTQGN-CYBMUJFWSA-N 0 0 348.451 0.949 10 0 ECAERN CC(=O)N[C@@H]1CCCN(C(=O)c2c(C)nn(C)c2-n2cccn2)C1 ZINC000186836097 545896677 /nfs/dbraw/zinc/89/66/77/545896677.db2.gz PHIRISSSEWBAAA-CYBMUJFWSA-N 0 0 330.392 0.655 10 0 ECAERN O=C(Nc1cnn(Cc2ccccn2)c1)C(=O)N1CCC[C@@H]1CO ZINC000189928253 545906657 /nfs/dbraw/zinc/90/66/57/545906657.db2.gz GYWYUNYSUNLXFH-CQSZACIVSA-N 0 0 329.360 0.248 10 0 ECAERN Cn1cc(O[C@@H]2CN(c3ncnc4c3ncn4C3CC3)C[C@H]2O)cn1 ZINC000624423277 546923433 /nfs/dbraw/zinc/92/34/33/546923433.db2.gz ARTCIAGJJTYCAW-CHWSQXEVSA-N 0 0 341.375 0.523 10 0 ECAERN O=S(=O)(N[C@H]1CCOC[C@@H]1O)c1ccc(Br)s1 ZINC000625597251 547164115 /nfs/dbraw/zinc/16/41/15/547164115.db2.gz NMZGZUAVRWRGDF-BQBZGAKWSA-N 0 0 342.236 0.939 10 0 ECAERN COc1ccnc(CN2C[C@@H](O)[C@H](Oc3cnn(C)c3)C2)c1OC ZINC000625628895 547181059 /nfs/dbraw/zinc/18/10/59/547181059.db2.gz KESWUIQZVOFMDP-UKRRQHHQSA-N 0 0 334.376 0.456 10 0 ECAERN O=C1CC[C@H](Nc2nccc(N3CCOCC3)n2)[C@@H]([C@@H]2CCCO2)N1 ZINC000685921366 549726081 /nfs/dbraw/zinc/72/60/81/549726081.db2.gz HHJHNQPVTPCQJU-XEZPLFJOSA-N 0 0 347.419 0.551 10 0 ECAERN Cn1cnnc1C[C@]1(O)CCCN(CC(=O)NCc2ccccc2)C1 ZINC000888076973 586245673 /nfs/dbraw/zinc/24/56/73/586245673.db2.gz ALQAWHNWBSCDHA-GOSISDBHSA-N 0 0 343.431 0.501 10 0 ECAERN Cn1cnnc1C[C@]1(O)CCCN(Cc2nnnn2C(C)(C)C)C1 ZINC000888077810 586245859 /nfs/dbraw/zinc/24/58/59/586245859.db2.gz WBTFPWAQCCZRHS-OAHLLOKOSA-N 0 0 334.428 0.126 10 0 ECAERN C[C@H](O)CN1CCN(c2nc(Cl)ccc2S(N)(=O)=O)C[C@H]1C ZINC000892354049 586257007 /nfs/dbraw/zinc/25/70/07/586257007.db2.gz FLYDYUBINTYOLQ-ZJUUUORDSA-N 0 0 348.856 0.274 10 0 ECAERN Cn1cc(O[C@@H]2COC[C@@H]2NCc2cn(-c3ccccc3)nn2)cn1 ZINC000888094434 586349009 /nfs/dbraw/zinc/34/90/09/586349009.db2.gz OLNQCLAQOKOBTB-DLBZAZTESA-N 0 0 340.387 0.937 10 0 ECAERN O=C(NCc1cnn2ccccc12)c1coc(CN2CC[C@@H](O)C2)n1 ZINC000888095760 586349330 /nfs/dbraw/zinc/34/93/30/586349330.db2.gz XUTNZTSEBHGUBN-CYBMUJFWSA-N 0 0 341.371 0.819 10 0 ECAERN CNC(=O)[C@H]1CC(=O)N(C2CN(C(=O)c3cccc4c3CCC4)C2)C1 ZINC000888098484 586349775 /nfs/dbraw/zinc/34/97/75/586349775.db2.gz MCOMJLFZVHPZJI-ZDUSSCGKSA-N 0 0 341.411 0.594 10 0 ECAERN CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)C1CN([C@@H]2CCOC2)C1 ZINC000897835877 586374981 /nfs/dbraw/zinc/37/49/81/586374981.db2.gz KKDXPHYCLMHWFI-MGPQQGTHSA-N 0 0 330.450 0.179 10 0 ECAERN COCCN1C[C@@H](C(=O)N2CC[C@H](n3cc(C4CC4)nn3)C2)CC1=O ZINC000899074387 586469492 /nfs/dbraw/zinc/46/94/92/586469492.db2.gz HCQBKNPWLREAKO-KBPBESRZSA-N 0 0 347.419 0.424 10 0 ECAERN O=C(CN1CCNC(=O)C1)N1C[C@@H](O)C[C@@H]1c1ccc(F)c(F)c1 ZINC000901247714 586703430 /nfs/dbraw/zinc/70/34/30/586703430.db2.gz WIECLYGYVOINRX-SMDDNHRTSA-N 0 0 339.342 0.031 10 0 ECAERN Cc1nnc2n1C[C@@H](C(=O)NCc1nc3cc(C)ccc3n1C)NC2 ZINC000818219757 587414786 /nfs/dbraw/zinc/41/47/86/587414786.db2.gz HOMUNWDJBOHYQE-ZDUSSCGKSA-N 0 0 339.403 0.570 10 0 ECAERN CCn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2cnc(N(C)C)cn2)cn1 ZINC000818606160 587440571 /nfs/dbraw/zinc/44/05/71/587440571.db2.gz COMXLFJIMWIJDQ-UONOGXRCSA-N 0 0 346.391 0.335 10 0 ECAERN O=C(C[C@H]1CC(=O)NC1=O)N1CC[C@](O)(Cc2ccc(F)cc2)C1 ZINC000823113539 587702834 /nfs/dbraw/zinc/70/28/34/587702834.db2.gz AKQWVJPFUGFOAJ-PXAZEXFGSA-N 0 0 334.347 0.384 10 0 ECAERN O=C(CN1CCC[C@H](n2cncn2)C1)N1CCC2(CC1)OCCO2 ZINC000105898948 589149553 /nfs/dbraw/zinc/14/95/53/589149553.db2.gz ZFEHLQBLTIEUQQ-AWEZNQCLSA-N 0 0 335.408 0.281 10 0 ECAERN CCN1C(=O)C[C@H](C(=O)NCc2cnnn2C)[C@H]1c1cnn(C)c1C ZINC000854480762 589588968 /nfs/dbraw/zinc/58/89/68/589588968.db2.gz JEXHDQPUMXTDJU-WFASDCNBSA-N 0 0 345.407 0.083 10 0 ECAERN Cn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2c[nH]c3ncccc23)cn1 ZINC000862925875 589974898 /nfs/dbraw/zinc/97/48/98/589974898.db2.gz SMBXPLZUDIFQPN-UONOGXRCSA-N 0 0 327.344 0.873 10 0 ECAERN Cn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2ccc3nncn3c2)cn1 ZINC000862926253 589974921 /nfs/dbraw/zinc/97/49/21/589974921.db2.gz YLINPVLCHMRTSI-QWHCGFSZSA-N 0 0 328.332 0.039 10 0 ECAERN Cn1cc(O[C@@H]2COC[C@@H]2NC(=O)Cc2ccc3c(c2)OCO3)cn1 ZINC000862925325 589974976 /nfs/dbraw/zinc/97/49/76/589974976.db2.gz JHPALFAHNSPMTR-XJKSGUPXSA-N 0 0 345.355 0.654 10 0 ECAERN C[C@@H]1CN(Cn2nc(-c3ccncc3)n(C)c2=S)C[C@H](C(N)=O)O1 ZINC000120315643 590117489 /nfs/dbraw/zinc/11/74/89/590117489.db2.gz VDYSCARMOOZYFU-ZYHUDNBSSA-N 0 0 348.432 0.545 10 0 ECAERN CCc1nc(C2(NCn3nnc4c(cnn4C)c3=O)CCCC2)no1 ZINC000132098859 590624771 /nfs/dbraw/zinc/62/47/71/590624771.db2.gz IZYWNRNBRZARIE-UHFFFAOYSA-N 0 0 344.379 0.487 10 0 ECAERN COCCN1CCN(CN2C(=O)C(=O)c3cccc(F)c32)C[C@H]1C ZINC000132627893 590654997 /nfs/dbraw/zinc/65/49/97/590654997.db2.gz OWPACTGXCSUKOK-GFCCVEGCSA-N 0 0 335.379 0.965 10 0 ECAERN Cc1cc(C(=O)NC[C@H]2CCC(=O)N(C)[C@@H]2c2cnn(C)c2)cnn1 ZINC000886027985 590786722 /nfs/dbraw/zinc/78/67/22/590786722.db2.gz LRIVDZFMYLKEHE-WBMJQRKESA-N 0 0 342.403 0.858 10 0 ECAERN CCN1CCO[C@@H](CNC(=O)Cc2cc(C)[nH]n2)[C@@H]1c1nccn1C ZINC000886027062 590787029 /nfs/dbraw/zinc/78/70/29/590787029.db2.gz CEJCSUWGAPPSNU-GOEBONIOSA-N 0 0 346.435 0.572 10 0 ECAERN Cn1cnnc1C[C@]1(O)CCCN(S(=O)(=O)C2CCCCC2)C1 ZINC000886027157 590787053 /nfs/dbraw/zinc/78/70/53/590787053.db2.gz KLFSCJOJOMWKMV-OAHLLOKOSA-N 0 0 342.465 0.847 10 0 ECAERN COCCS(=O)(=O)NC[C@@H]1CCCN(C)[C@H]1c1cncn1C ZINC000886031601 590787720 /nfs/dbraw/zinc/78/77/20/590787720.db2.gz CUHUWGPGZFNBGD-GXTWGEPZSA-N 0 0 330.454 0.369 10 0 ECAERN O=C(c1ccnc(OC2CCC2)c1)N1CC[C@@](O)(Cn2ccnn2)C1 ZINC000886038259 590788159 /nfs/dbraw/zinc/78/81/59/590788159.db2.gz XFIUUBYHARZEOC-KRWDZBQOSA-N 0 0 343.387 0.882 10 0 ECAERN Cc1cnn(CCNC(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2ccnn2C)c1 ZINC000886075210 590790630 /nfs/dbraw/zinc/79/06/30/590790630.db2.gz FSZSWUIUJOESNN-BBRMVZONSA-N 0 0 344.419 0.651 10 0 ECAERN CC(=O)NCc1cc(O[C@H]2CCN(S(=O)(=O)C3CC3)C2)ccn1 ZINC000886079878 590792095 /nfs/dbraw/zinc/79/20/95/590792095.db2.gz KVVSYCDXDBQPKP-AWEZNQCLSA-N 0 0 339.417 0.663 10 0 ECAERN Cc1cc(C)n(CC(=O)N(C)[C@H]2COC[C@H]2Oc2cnn(C)c2)n1 ZINC000886094232 590794778 /nfs/dbraw/zinc/79/47/78/590794778.db2.gz VZBMOIZIVNMCHG-LSDHHAIUSA-N 0 0 333.392 0.538 10 0 ECAERN Cc1noc(C[C@]2(O)CCCN(Cc3cn4cccnc4n3)C2)n1 ZINC000886097194 590795576 /nfs/dbraw/zinc/79/55/76/590795576.db2.gz RZZLPIIJHLPZBY-MRXNPFEDSA-N 0 0 328.376 0.990 10 0 ECAERN CCN1CCOC[C@H]1C(=O)N1CC(OCc2nc(C3CC3)no2)C1 ZINC000886097248 590795776 /nfs/dbraw/zinc/79/57/76/590795776.db2.gz WKUMZUFYOSGSCS-ZDUSSCGKSA-N 0 0 336.392 0.395 10 0 ECAERN COCCN1CCN(C(=O)N[C@@H](C)c2nnnn2C2CC2)C[C@H]1C ZINC000188807898 611395831 /nfs/dbraw/zinc/39/58/31/611395831.db2.gz PKUAGLHDKQCADK-NEPJUHHUSA-N 0 0 337.428 0.431 10 0 ECAERN Cc1cnn(C[C@H]2CN(C(=O)C(F)(F)C3(O)CCC3)CCO2)c1 ZINC000155916342 611442055 /nfs/dbraw/zinc/44/20/55/611442055.db2.gz QOZHZPPBRGVBBM-GFCCVEGCSA-N 0 0 329.347 0.969 10 0 ECAERN CCCn1cc(NC(=O)C(=O)N2CC[C@@H](c3cnn(C)c3)C2)cn1 ZINC000157125033 611445962 /nfs/dbraw/zinc/44/59/62/611445962.db2.gz CDQIKPIQRDYPNV-GFCCVEGCSA-N 0 0 330.392 0.981 10 0 ECAERN C[C@H]1CN(C(=O)c2ccn(CC(F)F)n2)C[C@@H]1N1CCOCC1 ZINC000194223490 608607539 /nfs/dbraw/zinc/60/75/39/608607539.db2.gz GMBGUMXUMABNQL-AAEUAGOBSA-N 0 0 328.363 0.941 10 0 ECAERN C[C@@H]1CN(CCS(=O)(=O)CCN2C[C@H](C)O[C@@H](C)C2)C[C@H](C)O1 ZINC000065208226 608793759 /nfs/dbraw/zinc/79/37/59/608793759.db2.gz KFQJVPKNWKALKV-YHUYYLMFSA-N 0 0 348.509 0.620 10 0 ECAERN O=C(CO)N1CCN(C[C@H]2CC(c3ccc(Cl)cc3)=NO2)CC1 ZINC000091984275 608801676 /nfs/dbraw/zinc/80/16/76/608801676.db2.gz VTEJLLYQKLPQAQ-CQSZACIVSA-N 0 0 337.807 0.970 10 0 ECAERN O=C(N[C@@H]1C[C@@H](O)[C@H]1n1cccn1)[C@@]1(c2ccccc2)CNC(=O)C1 ZINC000909185152 609681562 /nfs/dbraw/zinc/68/15/62/609681562.db2.gz BKLCECHWMXCKIA-AHEZYBDSSA-N 0 0 340.383 0.132 10 0 ECAERN CC(=O)N1Cc2cccnc2[C@H](C(=O)N(C)Cc2ccnn2C)C1 ZINC000222626310 609702013 /nfs/dbraw/zinc/70/20/13/609702013.db2.gz SPNDVMJAMKBITI-OAHLLOKOSA-N 0 0 327.388 0.919 10 0 ECAERN O=C(NCCO)[C@H]1CN(C(=O)c2cccs2)Cc2cccnc21 ZINC000222695167 609703555 /nfs/dbraw/zinc/70/35/55/609703555.db2.gz GTQSSICIIRBYHB-LBPRGKRZSA-N 0 0 331.397 0.991 10 0 ECAERN O=C(C[C@H]1CS(=O)(=O)CCN1)NCCc1ccc(Cl)s1 ZINC000226423656 609734392 /nfs/dbraw/zinc/73/43/92/609734392.db2.gz PPMWYWBHYTUOGH-VIFPVBQESA-N 0 0 336.866 0.837 10 0 ECAERN CCNC(=O)N1CCC[C@H]1c1noc(CCC(=O)NCCOC)n1 ZINC000169784705 609746208 /nfs/dbraw/zinc/74/62/08/609746208.db2.gz WOBXUPDRKGPYRJ-NSHDSACASA-N 0 0 339.396 0.631 10 0 ECAERN COCCCn1c(C)cnc1[C@@H]1CCN(C(=O)NCC(=O)OC)C1 ZINC000169788045 609746599 /nfs/dbraw/zinc/74/65/99/609746599.db2.gz IAZIBPOJKLNGMT-CYBMUJFWSA-N 0 0 338.408 0.900 10 0 ECAERN Cc1nn(C)c(C)c1CCN(C)C(=O)[C@H]1Cn2cccc2C(=O)N1C ZINC000169791630 609747382 /nfs/dbraw/zinc/74/73/82/609747382.db2.gz KDOAONACGVJVDC-MRXNPFEDSA-N 0 0 343.431 0.994 10 0 ECAERN O=C1NC2(CCCCC2)C(=O)N1CN1CCO[C@@H](Cn2cccn2)C1 ZINC000172499970 609773039 /nfs/dbraw/zinc/77/30/39/609773039.db2.gz IQOSKHJLECRNIT-CQSZACIVSA-N 0 0 347.419 0.796 10 0 ECAERN CC(C)[C@@]1(C)NC(=O)N(CN2CCO[C@H](Cn3cccn3)C2)C1=O ZINC000152782356 609879491 /nfs/dbraw/zinc/87/94/91/609879491.db2.gz FQFRGBOMLFLUQG-XJKSGUPXSA-N 0 0 335.408 0.508 10 0 ECAERN COC[C@@H](C)C(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000152810184 609881234 /nfs/dbraw/zinc/88/12/34/609881234.db2.gz XZPJTDRJKFVIBP-MRVPVSSYSA-N 0 0 332.344 0.699 10 0 ECAERN O=C(c1cccn(Cc2ccccc2)c1=O)N1CCOC[C@@H]1CO ZINC000912422984 609957534 /nfs/dbraw/zinc/95/75/34/609957534.db2.gz OUZZKPCXDBWUGB-HNNXBMFYSA-N 0 0 328.368 0.730 10 0 ECAERN O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)N1CCOC[C@H]1CO ZINC000912427783 609958279 /nfs/dbraw/zinc/95/82/79/609958279.db2.gz QBLLRUHZRMBRMQ-SNVBAGLBSA-N 0 0 347.198 0.943 10 0 ECAERN CN(C(=O)C[C@]1(O)CCC[N@H+](Cc2ccccc2)C1)c1nnn[n-]1 ZINC000912618256 609975137 /nfs/dbraw/zinc/97/51/37/609975137.db2.gz YXJKLZYRXNUCME-MRXNPFEDSA-N 0 0 330.392 0.580 10 0 ECAERN COC(=O)[C@@](N)(Cn1cc(I)cn1)C1CC1 ZINC000070678462 610461421 /nfs/dbraw/zinc/46/14/21/610461421.db2.gz XJODTTSXDDGGRE-SNVBAGLBSA-N 0 0 335.145 0.768 10 0 ECAERN C[C@H](NC(=O)c1ccco1)C(=O)Oc1ccc(-n2cnnn2)cc1 ZINC000072507476 610984324 /nfs/dbraw/zinc/98/43/24/610984324.db2.gz VIMJSCOZSINJLG-JTQLQIEISA-N 0 0 327.300 0.979 10 0 ECAERN COCC(=O)NC1CN(C(=O)c2csc(-c3ccccn3)n2)C1 ZINC000185234283 611113147 /nfs/dbraw/zinc/11/31/47/611113147.db2.gz VSPRIZBWAWBEKD-UHFFFAOYSA-N 0 0 332.385 0.792 10 0 ECAERN C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NN1CCCCC1 ZINC000194299226 612168214 /nfs/dbraw/zinc/16/82/14/612168214.db2.gz FPJAMXMVJFALMP-LLVKDONJSA-N 0 0 336.417 0.631 10 0 ECAERN COC(=O)CN(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)CC(F)(F)F ZINC000193403474 612245629 /nfs/dbraw/zinc/24/56/29/612245629.db2.gz NECXRWJKLXSFFE-UWVGGRQHSA-N 0 0 334.294 0.932 10 0 ECAERN Cn1cc(C[C@@H]2CC(=O)N(CN3CCO[C@@H]4CCCC[C@@H]43)C2=O)cn1 ZINC000245435617 612585080 /nfs/dbraw/zinc/58/50/80/612585080.db2.gz QNWVMYFVXNVADJ-OWCLPIDISA-N 0 0 346.431 0.939 10 0 ECAERN O=C1C[C@@H](c2ccccn2)CN1CN1CCO[C@@H](Cn2cccn2)C1 ZINC000247016160 612679872 /nfs/dbraw/zinc/67/98/72/612679872.db2.gz JGRZSCVPNDSROB-HZPDHXFCSA-N 0 0 341.415 0.953 10 0 ECAERN O=C1CCCN1C[C@H](O)CN1CCOC[C@H]1C[C@@H](O)c1ccccc1 ZINC000246059368 612762669 /nfs/dbraw/zinc/76/26/69/612762669.db2.gz QZPJVFPQMAWDCG-KZNAEPCWSA-N 0 0 348.443 0.794 10 0 ECAERN